#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 0.52 0.00 -0.41 3.85 -1.26 -5.08 117.12 114.74 1l6e n MET 2 Ca 0.00 -2.18 0.00 0.00 -1.00 0.00 0.00 57.70 54.52 1l6e n MET 2 Cb 0.00 2.07 0.00 0.00 -1.05 0.00 0.00 33.22 34.24 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 -0.45 -1.76 1.61 3.17 0.00 -1.26 -4.97 105.19 101.54 1l6e n GLY 3 Ca 0.01 0.60 0.02 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 0.09 -4.45 1.61 -0.00 -1.26 -5.10 115.22 106.12 1l6e n HIS 4 Ca 0.00 -0.73 -0.26 0.00 -0.00 0.00 0.00 57.72 56.72 1l6e n HIS 4 Cb 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 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 -0.46 1.90 0.01 1.59 -1.09 -1.26 -5.14 121.20 116.75 1l6e s ILE 5 Ca 0.27 -1.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1l6e s ILE 5 Cb 0.32 -1.69 -0.00 0.00 -1.58 0.00 0.00 42.46 39.51 1l6e s ILE 5 CO -0.12 0.08 0.01 1.67 -1.23 0.00 0.00 174.94 175.34 1l6e n GLN 6 N 1.25 0.01 -1.25 2.79 7.27 -1.26 -5.05 117.38 121.15 1l6e n GLN 6 Ca -0.18 -0.07 -0.54 0.00 0.07 0.00 0.00 57.00 56.28 1l6e n GLN 6 Cb 0.53 0.06 -0.12 0.00 2.41 0.00 0.00 30.24 33.12 1l6e n GLN 6 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1l6e n ILE 7 N -0.01 0.00 -2.25 1.69 0.00 -1.26 -4.76 119.36 112.76 1l6e n ILE 7 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 62.75 62.32 1l6e n ILE 7 Cb 0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 39.64 39.15 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 6.31 3.53 0.77 9.51 0.04 -1.26 -5.00 135.00 148.90 1l6e s PRO 8 Ca 1.18 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1l6e s PRO 8 Cb -1.39 -4.07 0.05 0.00 0.04 0.00 0.00 34.50 29.13 1l6e s PRO 8 CO 0.60 -1.62 1.11 -1.25 0.04 0.00 0.00 177.00 175.89 1l6e s PRO 9 N 5.09 2.35 0.00 0.56 0.04 -1.26 -4.38 135.00 137.39 1l6e s PRO 9 Ca 0.66 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1l6e s PRO 9 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1l6e s PRO 9 CO 0.33 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1l6e n GLY 10 N -2.72 0.73 0.32 0.56 0.00 -1.26 -4.97 105.19 97.84 1l6e n GLY 10 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.73 -1.41 0.99 5.85 -2.02 -0.43 115.31 119.01 1l6e h LEU 11 Ca 0.00 0.05 0.36 0.00 0.84 0.00 0.00 57.88 59.13 1l6e h LEU 11 Cb 0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1l6e h LEU 11 CO 0.00 0.41 1.21 0.74 -0.34 0.00 0.00 178.44 180.46 1l6e h THR 12 N 0.84 0.04 0.24 1.05 2.02 -1.96 -0.57 112.91 114.57 1l6e h THR 12 Ca 0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1l6e h THR 12 Cb 0.37 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1l6e h THR 12 CO -0.25 0.00 -0.11 -0.08 0.37 0.00 0.00 175.52 175.45 1l6e h GLU 13 N 0.00 -0.31 -0.94 6.66 4.57 -1.49 -2.02 114.58 121.06 1l6e h GLU 13 Ca 0.60 0.02 0.28 0.00 -1.18 0.00 0.00 59.36 59.08 1l6e h GLU 13 Cb 3.01 0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 31.52 1l6e h GLU 13 CO -0.01 -0.21 0.37 -0.07 -1.18 0.00 0.00 179.01 177.92 1l6e h LEU 14 N -0.49 0.19 0.00 1.64 3.38 -1.26 -1.67 115.31 117.11 1l6e h LEU 14 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1l6e h LEU 14 Cb 0.24 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1l6e h LEU 14 CO 0.05 -0.17 0.00 -0.11 0.09 0.00 0.00 178.44 178.31 1l6e n LEU 15 N -5.17 0.04 -0.57 1.67 -0.00 -1.04 -0.56 117.00 111.36 1l6e n LEU 15 Ca 0.26 0.88 0.45 0.00 -0.00 0.00 0.00 56.01 57.60 1l6e n LEU 15 Cb 0.83 -0.41 0.69 0.00 -0.00 0.00 0.00 43.42 44.53 1l6e n LEU 15 CO 0.07 -0.41 1.34 0.00 -0.00 0.00 0.00 177.39 178.38 1l6e n GLN 16 N -1.73 0.00 0.08 1.96 6.02 -0.76 0.22 117.38 123.17 1l6e n GLN 16 Ca 0.00 0.99 -0.21 0.00 -0.01 0.00 0.00 57.00 57.77 1l6e n GLN 16 Cb 0.00 -2.32 -0.15 0.00 1.02 0.00 0.00 30.24 28.79 1l6e n GLN 16 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1l6e h GLY 17 N 0.00 0.43 1.09 1.08 0.00 -0.90 -2.44 103.07 102.33 1l6e h GLY 17 Ca 0.79 -1.09 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1l6e h GLY 17 CO -0.01 0.95 -0.40 -1.82 0.00 0.00 0.00 176.54 175.26 1l6e h TYR 18 N -0.22 1.05 -0.12 5.60 3.20 0.51 -2.78 116.97 124.22 1l6e h TYR 18 Ca -0.17 -0.33 -0.08 0.00 3.14 0.00 0.00 58.73 61.28 1l6e h TYR 18 Cb 1.79 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 1l6e h TYR 18 CO 0.18 1.15 -0.28 1.15 -1.64 0.00 0.00 178.16 178.71 1l6e h THR 19 N 0.66 1.25 0.00 1.81 2.02 -0.66 -2.24 112.91 115.74 1l6e h THR 19 Ca 0.04 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 1l6e h THR 19 Cb 1.00 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1l6e h THR 19 CO 0.10 0.35 -0.28 0.58 0.37 0.00 0.00 175.52 176.64 1l6e h VAL 20 N 0.19 0.82 -0.01 3.16 2.07 -1.25 -2.52 116.25 118.71 1l6e h VAL 20 Ca 0.03 -1.14 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 1l6e h VAL 20 Cb 0.61 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1l6e h VAL 20 CO 0.04 0.28 -0.78 -0.33 0.02 0.00 0.00 177.57 176.80 1l6e h GLU 21 N 0.00 0.08 0.00 1.57 5.08 -1.13 -2.54 114.58 117.63 1l6e h GLU 21 Ca -0.00 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1l6e h GLU 21 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1l6e h GLU 21 CO 0.04 0.82 -0.18 0.28 -1.00 0.00 0.00 179.01 178.97 1l6e h VAL 22 N 0.05 0.34 0.00 3.13 2.07 -1.29 -2.80 116.25 117.74 1l6e h VAL 22 Ca -0.02 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 66.08 1l6e h VAL 22 Cb 1.37 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1l6e h VAL 22 CO 0.11 0.17 -1.39 -0.07 0.02 0.00 0.00 177.57 176.41 1l6e h LEU 23 N 0.00 0.00 0.00 2.57 4.07 -1.38 0.27 115.31 120.84 1l6e h LEU 23 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1l6e h LEU 23 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1l6e h LEU 23 CO 0.02 0.58 -0.49 0.54 -1.08 0.00 0.00 178.44 178.01 1l6e n ARG 24 N -2.90 0.28 0.00 1.13 3.00 -0.97 -4.38 116.66 112.83 1l6e n ARG 24 Ca -0.09 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1l6e n ARG 24 Cb 0.84 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.59 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 -2.14 1.68 -3.20 5.56 10.64 -1.06 -5.08 117.38 123.78 1l6e n GLN 25 Ca 0.04 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 55.01 1l6e n GLN 25 Cb 0.44 -0.84 0.02 0.00 -0.86 0.00 0.00 30.24 29.00 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 -1.76 -2.04 -1.23 2.61 6.02 0.95 -4.94 117.38 117.00 1l6e n GLN 26 Ca 0.00 1.69 -0.29 0.00 -0.01 0.00 0.00 57.00 58.38 1l6e n GLN 26 Cb 0.34 -4.06 0.15 0.00 1.02 0.00 0.00 30.24 27.68 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 -2.80 1.02 0.00 -1.09 0.04 -1.26 -4.89 135.00 126.01 1l6e s PRO 27 Ca 0.25 0.69 0.15 0.00 0.04 0.00 0.00 61.00 62.12 1l6e s PRO 27 Cb -0.05 -1.79 0.75 0.00 0.04 0.00 0.00 34.50 33.45 1l6e s PRO 27 CO 0.82 -2.37 1.39 -0.35 0.04 0.00 0.00 177.00 176.53 1l6e n PRO 28 N -3.95 0.23 -3.60 0.56 -0.04 -1.26 -4.62 135.00 122.32 1l6e n PRO 28 Ca 0.06 0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1l6e n PRO 28 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1l6e n PRO 28 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1l6e s ASP 29 N -2.52 -0.73 0.00 3.54 -4.77 -1.26 -5.10 116.67 105.83 1l6e s ASP 29 Ca 0.15 1.10 0.00 0.00 -3.30 0.00 0.00 52.55 50.50 1l6e s ASP 29 Cb 0.10 1.51 0.00 0.00 -1.09 0.00 0.00 42.92 43.43 1l6e s ASP 29 CO 0.22 -0.17 0.05 -0.11 0.70 0.00 0.00 175.17 175.86 1l6e n LEU 30 N 4.37 0.33 -0.03 2.11 7.94 -1.26 -2.56 117.00 127.90 1l6e n LEU 30 Ca -0.16 0.47 -0.01 0.00 -1.11 0.00 0.00 56.01 55.20 1l6e n LEU 30 Cb 0.56 -0.44 -0.01 0.00 0.53 0.00 0.00 43.42 44.06 1l6e n LEU 30 CO -0.01 -0.44 0.03 0.52 -1.11 0.00 0.00 177.39 176.38 1l6e n VAL 31 N -1.83 -0.04 0.06 1.96 0.31 -1.26 0.30 118.33 117.83 1l6e n VAL 31 Ca 0.00 0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.36 1l6e n VAL 31 Cb 0.00 -0.20 -0.08 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.08 -0.19 4.52 1.82 -2.01 -2.72 116.42 117.76 1l6e h ASP 32 Ca 0.01 -0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.55 1l6e h ASP 32 Cb 0.02 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 1l6e h ASP 32 CO -0.06 0.09 -0.06 0.15 -1.61 0.00 0.00 179.24 177.75 1l6e h PHE 33 N -0.25 -0.13 -1.28 0.28 3.04 0.48 0.14 116.94 119.22 1l6e h PHE 33 Ca -0.01 0.02 0.37 0.00 3.98 0.00 0.00 57.97 62.33 1l6e h PHE 33 Cb 0.21 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 1l6e h PHE 33 CO -0.02 -0.10 0.91 0.00 -2.02 0.00 0.00 178.31 177.08 1l6e h ALA 34 N 1.16 3.16 0.01 2.41 0.00 0.57 0.65 119.26 127.22 1l6e h ALA 34 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1l6e h ALA 34 Cb 0.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1l6e h ALA 34 CO -0.21 -1.54 -0.01 0.28 0.00 0.00 0.00 179.25 177.78 1l6e h VAL 35 N 0.02 1.46 -1.14 0.00 2.07 -0.46 -2.98 116.25 115.23 1l6e h VAL 35 Ca 0.62 -1.99 0.33 0.00 0.82 0.00 0.00 66.70 66.48 1l6e h VAL 35 Cb 2.42 2.71 -0.11 0.00 -1.52 0.00 0.00 31.29 34.79 1l6e h VAL 35 CO -0.03 0.48 0.73 -0.08 0.02 0.00 0.00 177.57 178.69 1l6e h GLU 36 N -0.95 0.26 0.18 1.57 4.57 0.19 1.53 114.58 121.93 1l6e h GLU 36 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1l6e h GLU 36 Cb 0.79 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1l6e h GLU 36 CO 0.00 0.18 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.00 1l6e h TYR 37 N 0.27 -0.22 0.02 0.92 3.20 -1.41 -2.30 116.97 117.45 1l6e h TYR 37 Ca 0.68 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.54 1l6e h TYR 37 Cb 1.90 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.25 1l6e h TYR 37 CO -0.00 -0.14 -0.01 0.74 -1.64 0.00 0.00 178.16 177.11 1l6e h PHE 38 N -0.45 -0.03 -0.99 -3.82 0.04 -1.23 0.41 116.94 110.86 1l6e h PHE 38 Ca -0.02 -0.00 0.23 0.00 2.80 0.00 0.00 57.97 60.98 1l6e h PHE 38 Cb 0.18 0.01 -0.12 0.00 2.20 0.00 0.00 35.95 38.22 1l6e h PHE 38 CO 0.06 0.02 0.58 1.15 -0.60 0.00 0.00 178.31 179.53 1l6e h THR 39 N -0.07 0.56 0.00 -1.55 2.02 0.20 0.37 112.91 114.44 1l6e h THR 39 Ca -0.00 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1l6e h THR 39 Cb 0.06 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1l6e h THR 39 CO 0.01 0.11 -0.77 -0.09 0.37 0.00 0.00 175.52 175.14 1l6e h ARG 40 N 0.60 0.00 -0.18 6.66 2.43 -0.84 -3.35 114.38 119.70 1l6e h ARG 40 Ca 0.63 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.85 1l6e h ARG 40 Cb 1.16 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.64 1l6e h ARG 40 CO -0.47 0.44 -0.35 1.25 -1.51 0.00 0.00 179.97 179.33 1l6e h LEU 41 N 0.00 -1.10 -0.86 3.80 5.85 0.41 0.75 115.31 124.16 1l6e h LEU 41 Ca -0.05 0.16 0.35 0.00 0.84 0.00 0.00 57.88 59.19 1l6e h LEU 41 Cb 1.43 0.47 -0.16 0.00 0.37 0.00 0.00 40.66 42.78 1l6e h LEU 41 CO 0.06 -0.37 0.44 -2.11 -0.34 0.00 0.00 178.44 176.12 1l6e n ARG 42 N -5.42 -0.05 -0.07 1.25 0.00 -1.15 -1.54 116.66 109.69 1l6e n ARG 42 Ca -0.03 1.19 -0.04 0.00 -0.00 0.00 0.00 57.85 58.97 1l6e n ARG 42 Cb 0.34 -2.13 -0.01 0.00 -0.00 0.00 0.00 32.46 30.66 1l6e n ARG 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1l6e h GLU 43 N 0.00 0.00 0.00 2.89 5.08 -1.08 -3.46 114.58 118.01 1l6e h GLU 43 Ca 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1l6e h GLU 43 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1l6e h GLU 43 CO -0.67 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.34 1l6e n ALA 44 N -3.53 0.00 -0.80 3.43 0.00 0.24 -4.81 120.51 115.03 1l6e n ALA 44 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1l6e n ALA 44 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.00 0.00 0.00 0.00 -1.26 -5.03 116.66 110.37 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 -0.67 0.00 0.00 0.00 0.00 0.00 32.46 31.79 1l6e n ARG 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17