#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsp s GLU 3 N 0.00 1.04 0.38 0.54 -1.05 -1.26 -5.11 118.70 113.24 2dsp s GLU 3 Ca 0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 54.57 2dsp s GLU 3 Cb 0.00 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 2dsp s GLU 3 CO 0.00 -0.38 0.06 0.95 0.95 0.00 0.00 175.26 176.83 2dsp s THR 4 N -2.62 1.21 -0.14 1.83 -4.23 -1.26 -2.10 115.64 108.33 2dsp s THR 4 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 2dsp s THR 4 Cb -0.00 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.21 2dsp s THR 4 CO -0.03 0.00 0.37 -0.76 -0.54 0.00 0.00 174.62 173.66 2dsp s LEU 5 N -3.60 0.44 0.16 4.79 1.43 -0.23 -4.98 118.68 116.70 2dsp s LEU 5 Ca 0.30 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2dsp s LEU 5 Cb 0.07 1.24 -0.05 0.00 0.03 0.00 0.00 46.19 47.48 2dsp s LEU 5 CO 0.14 -0.14 -0.01 0.00 0.23 0.00 0.00 176.35 176.56 2dsp n GLY 7 N -0.21 2.69 0.36 0.00 0.00 -1.26 -2.33 105.19 104.44 2dsp n GLY 7 Ca -0.08 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.75 2dsp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsp h ALA 8 N -0.68 1.63 -0.31 4.61 0.00 -1.98 -1.03 119.26 121.50 2dsp h ALA 8 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2dsp h ALA 8 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2dsp h ALA 8 CO 0.00 0.23 0.13 0.93 0.00 0.00 0.00 179.25 180.54 2dsp h GLU 9 N 0.86 0.46 0.33 0.00 5.08 -1.91 0.19 114.58 119.59 2dsp h GLU 9 Ca 0.36 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2dsp h GLU 9 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2dsp h GLU 9 CO -0.13 0.46 -0.17 1.25 -1.00 0.00 0.00 179.01 179.42 2dsp h LEU 10 N 0.36 -0.41 -0.03 1.33 5.85 -0.92 0.14 115.31 121.63 2dsp h LEU 10 Ca 0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2dsp h LEU 10 Cb 0.17 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2dsp h LEU 10 CO -0.01 -0.28 -0.31 0.58 -0.34 0.00 0.00 178.44 178.08 2dsp h VAL 11 N -0.46 0.32 -0.89 1.05 2.07 -1.23 0.61 116.25 117.73 2dsp h VAL 11 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2dsp h VAL 11 Cb 0.36 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2dsp h VAL 11 CO 0.06 0.00 0.57 0.44 0.02 0.00 0.00 177.57 178.67 2dsp h ASP 12 N -0.44 0.83 -0.44 0.57 3.32 -0.75 -0.20 116.42 119.31 2dsp h ASP 12 Ca 0.07 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2dsp h ASP 12 Cb 0.54 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2dsp h ASP 12 CO -0.28 0.50 -0.19 0.00 -1.72 0.00 0.00 179.24 177.55 2dsp h ALA 13 N 1.54 0.77 -0.03 3.45 0.00 -0.48 -2.41 119.26 122.09 2dsp h ALA 13 Ca 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dsp h ALA 13 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dsp h ALA 13 CO -0.16 0.66 0.01 -0.07 0.00 0.00 0.00 179.25 179.69 2dsp h LEU 14 N 0.82 0.04 -1.55 0.00 3.38 0.70 -1.35 115.31 117.35 2dsp h LEU 14 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dsp h LEU 14 Cb 0.75 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2dsp h LEU 14 CO 0.06 0.23 0.18 1.56 0.09 0.00 0.00 178.44 180.56 2dsp h GLN 15 N -0.15 0.47 0.00 1.13 4.20 -1.13 -0.14 115.11 119.50 2dsp h GLN 15 Ca 0.01 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 2dsp h GLN 15 Cb 0.21 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 27.91 2dsp h GLN 15 CO -0.00 0.36 -0.96 0.35 -0.67 0.00 0.00 178.83 177.92 2dsp h PHE 16 N 0.48 0.96 0.07 2.96 3.57 -1.29 0.41 116.94 124.09 2dsp h PHE 16 Ca 0.12 -0.52 -0.29 0.00 3.53 0.00 0.00 57.97 60.81 2dsp h PHE 16 Cb 0.04 -0.11 0.03 0.00 2.79 0.00 0.00 35.95 38.70 2dsp h PHE 16 CO 0.00 1.36 -1.16 0.28 -2.23 0.00 0.00 178.31 176.56 2dsp h VAL 17 N 0.28 1.28 0.00 1.41 2.07 -1.13 -3.34 116.25 116.82 2dsp h VAL 17 Ca -0.12 -2.37 -0.16 0.00 0.82 0.00 0.00 66.70 64.87 2dsp h VAL 17 Cb 1.63 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 2dsp h VAL 17 CO 0.19 0.73 -0.76 0.00 0.02 0.00 0.00 177.57 177.75 2dsp n GLY 19 N 1.25 0.76 0.52 0.00 0.00 0.14 -3.39 105.19 104.46 2dsp n GLY 19 Ca 0.01 -0.80 0.34 0.00 0.00 0.00 0.00 46.02 45.57 2dsp n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dsp h ASP 20 N 3.29 0.00 -1.05 1.61 3.32 -1.96 -1.00 116.42 120.62 2dsp h ASP 20 Ca 0.00 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.32 2dsp h ASP 20 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2dsp h ASP 20 CO 0.00 0.00 0.68 0.03 -1.72 0.00 0.00 179.24 178.23 2dsp h ARG 21 N 0.00 0.35 0.00 3.56 3.08 -1.87 -3.48 114.38 116.01 2dsp h ARG 21 Ca 0.53 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.58 2dsp h ARG 21 Cb 2.22 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.19 2dsp h ARG 21 CO -0.01 0.23 -0.03 0.41 -1.07 0.00 0.00 179.97 179.51 2dsp n GLY 22 N -1.49 -1.86 3.50 0.04 0.00 -0.38 -4.40 105.19 100.60 2dsp n GLY 22 Ca 0.25 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2dsp n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dsp s PHE 23 N -0.29 0.45 -0.02 1.61 -0.12 -1.26 -1.13 117.98 117.21 2dsp s PHE 23 Ca 0.00 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2dsp s PHE 23 Cb 0.00 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2dsp s PHE 23 CO 0.00 -0.91 -0.14 0.71 -0.05 0.00 0.00 175.22 174.83 2dsp s TYR 24 N -4.02 2.71 0.08 3.49 4.12 0.02 -4.74 117.35 119.00 2dsp s TYR 24 Ca 0.23 -0.15 0.21 0.00 0.02 0.00 0.00 57.07 57.38 2dsp s TYR 24 Cb 0.01 -1.59 0.71 0.00 -1.52 0.00 0.00 41.96 39.57 2dsp s TYR 24 CO 0.08 0.23 1.74 0.74 0.02 0.00 0.00 175.55 178.36 2dsp h PHE 25 N 5.04 0.00 -3.33 2.71 -1.00 -1.96 -3.45 116.94 114.96 2dsp h PHE 25 Ca -0.47 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.09 2dsp h PHE 25 Cb 1.16 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.42 2dsp h PHE 25 CO 0.52 0.30 -0.59 -0.80 -1.61 0.00 0.00 178.31 176.13 2dsp s ASN 26 N -6.30 -0.12 -0.02 2.17 -0.87 -1.26 -1.38 114.94 107.16 2dsp s ASN 26 Ca 0.01 0.28 0.03 0.00 -1.57 0.00 0.00 52.86 51.62 2dsp s ASN 26 Cb 0.10 0.22 -0.00 0.00 -0.02 0.00 0.00 41.25 41.54 2dsp s ASN 26 CO 0.67 -0.10 -0.12 -1.59 -2.57 0.00 0.00 177.10 173.38 2dsp s LYS 27 N 0.70 1.11 0.62 -0.60 -2.85 -0.85 -4.99 119.74 112.87 2dsp s LYS 27 Ca -0.05 -0.43 -0.19 0.00 -1.00 0.00 0.00 55.97 54.31 2dsp s LYS 27 Cb -0.07 -1.04 -0.03 0.00 -2.06 0.00 0.00 37.83 34.64 2dsp s LYS 27 CO -0.03 0.22 1.25 -2.14 0.10 0.00 0.00 175.35 174.75 2dsp s PRO 28 N -0.10 2.79 -0.05 1.78 0.02 -1.26 -1.86 135.00 136.32 2dsp s PRO 28 Ca 0.01 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 62.82 2dsp s PRO 28 Cb -0.07 -1.90 -0.31 0.00 0.02 0.00 0.00 34.50 32.24 2dsp s PRO 28 CO 0.00 -1.38 0.77 1.79 -0.33 0.00 0.00 177.00 177.85 2dsp h THR 29 N 0.75 1.21 -3.53 0.99 1.35 -2.06 -3.45 112.91 108.17 2dsp h THR 29 Ca -0.51 -2.52 -0.61 0.00 -0.55 0.00 0.00 66.41 62.22 2dsp h THR 29 Cb 1.32 2.94 -0.13 0.00 -1.73 0.00 0.00 68.15 70.55 2dsp h THR 29 CO 0.54 0.76 -0.31 -1.10 -0.25 0.00 0.00 175.52 175.16 2dsp s GLN 40 N -2.51 4.13 0.18 4.72 -1.52 -1.26 -5.32 119.66 118.08 2dsp s GLN 40 Ca -0.15 0.03 -0.10 0.00 -1.95 0.00 0.00 55.36 53.19 2dsp s GLN 40 Cb 0.03 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 29.21 2dsp s GLN 40 CO 0.84 -0.02 0.50 0.95 -0.25 0.00 0.00 175.29 177.31 2dsp s THR 41 N 1.27 4.97 -0.10 -0.19 -4.23 -0.78 -4.94 115.64 111.65 2dsp s THR 41 Ca 0.15 0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2dsp s THR 41 Cb -0.14 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2dsp s THR 41 CO 0.07 0.06 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.30 2dsp s GLY 42 N -2.15 1.66 0.44 3.99 0.00 -1.26 -2.00 107.32 108.00 2dsp s GLY 42 Ca 0.42 -0.88 0.17 0.00 0.00 0.00 0.00 44.72 44.43 2dsp s GLY 42 CO 0.21 -0.47 1.97 1.19 0.00 0.00 0.00 173.10 176.00 2dsp h ILE 43 N 4.65 1.03 0.06 0.90 6.09 -1.53 -2.82 117.51 125.88 2dsp h ILE 43 Ca -0.41 -0.78 -0.00 0.00 -1.37 0.00 0.00 64.86 62.30 2dsp h ILE 43 Cb 1.18 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2dsp h ILE 43 CO 0.55 0.21 -0.03 0.58 -3.07 0.00 0.00 178.15 176.40 2dsp h VAL 44 N 0.00 1.24 -0.86 2.19 2.07 -1.94 0.16 116.25 119.11 2dsp h VAL 44 Ca -0.00 -1.07 0.20 0.00 0.82 0.00 0.00 66.70 66.64 2dsp h VAL 44 Cb 0.42 1.94 -0.12 0.00 -1.52 0.00 0.00 31.29 32.01 2dsp h VAL 44 CO 0.03 0.27 0.36 0.44 0.02 0.00 0.00 177.57 178.69 2dsp h ASP 45 N -0.56 0.31 0.28 0.57 3.32 -1.91 0.15 116.42 118.57 2dsp h ASP 45 Ca -0.01 0.14 -0.34 0.00 0.02 0.00 0.00 57.03 56.85 2dsp h ASP 45 Cb 0.49 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2dsp h ASP 45 CO 0.01 0.03 -1.76 -0.33 -1.72 0.00 0.00 179.24 175.47 2dsp h GLU 46 N 0.41 0.28 0.01 3.56 5.08 -1.48 -2.63 114.58 119.82 2dsp h GLU 46 Ca 0.52 -0.47 -0.36 0.00 -1.00 0.00 0.00 59.36 58.05 2dsp h GLU 46 Cb 0.93 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2dsp h GLU 46 CO -0.50 1.15 -2.22 0.00 -1.00 0.00 0.00 179.01 176.43 2dsp n PHE 49 N -3.64 0.00 0.00 0.00 3.72 -1.11 -4.59 117.46 111.84 2dsp n PHE 49 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2dsp n PHE 49 Cb 1.06 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2dsp n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dsp n ARG 50 N -2.77 0.00 -3.64 -1.08 5.12 -0.99 -5.01 116.66 108.28 2dsp n ARG 50 Ca -0.31 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.47 2dsp n ARG 50 Cb 1.02 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 32.25 2dsp n ARG 50 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dsp s SER 51 N -1.00 -0.71 -0.02 0.55 0.15 0.73 -4.89 113.70 108.52 2dsp s SER 51 Ca 0.00 1.35 0.03 0.00 0.70 0.00 0.00 55.95 58.03 2dsp s SER 51 Cb 0.00 1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2dsp s SER 51 CO 0.00 -0.25 -0.12 0.00 1.20 0.00 0.00 173.24 174.07 2dsp s ASP 53 N -0.05 0.14 0.23 0.00 1.47 -1.26 -4.68 116.67 112.53 2dsp s ASP 53 Ca 0.00 -1.09 -0.08 0.00 1.18 0.00 0.00 52.55 52.57 2dsp s ASP 53 Cb -0.07 0.60 0.20 0.00 -0.34 0.00 0.00 42.92 43.31 2dsp s ASP 53 CO 0.00 -1.18 1.87 -0.07 0.68 0.00 0.00 175.17 176.47 2dsp h LEU 54 N 2.24 1.08 -1.29 2.11 3.38 -2.00 -1.92 115.31 118.91 2dsp h LEU 54 Ca -0.27 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2dsp h LEU 54 Cb 1.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2dsp h LEU 54 CO 0.38 0.84 0.49 -0.09 0.09 0.00 0.00 178.44 180.14 2dsp h ARG 55 N 1.23 0.95 -0.16 1.13 1.12 -1.99 -0.65 114.38 116.00 2dsp h ARG 55 Ca 0.32 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 59.10 2dsp h ARG 55 Cb -0.03 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.72 2dsp h ARG 55 CO -0.06 0.63 -0.01 -0.09 -3.11 0.00 0.00 179.97 177.33 2dsp h ARG 56 N 0.98 0.29 -0.54 0.20 9.65 -1.79 -2.66 114.38 120.51 2dsp h ARG 56 Ca 0.27 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2dsp h ARG 56 Cb -0.08 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 2dsp h ARG 56 CO -0.06 0.53 0.34 -0.07 2.80 0.00 0.00 179.97 183.51 2dsp h LEU 57 N 0.03 0.57 -1.26 3.80 3.38 -1.11 -2.52 115.31 118.18 2dsp h LEU 57 Ca 0.04 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2dsp h LEU 57 Cb 0.41 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2dsp h LEU 57 CO 0.01 0.41 0.54 -0.33 0.09 0.00 0.00 178.44 179.16 2dsp h GLU 58 N 0.68 0.82 -0.10 1.13 5.08 -1.11 -1.68 114.58 119.41 2dsp h GLU 58 Ca 0.21 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2dsp h GLU 58 Cb -0.03 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2dsp h GLU 58 CO -0.07 0.54 0.11 0.52 -1.00 0.00 0.00 179.01 179.11 2dsp h MET 59 N 0.85 0.00 -0.01 2.33 2.86 -1.08 -2.86 114.93 117.01 2dsp h MET 59 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2dsp h MET 59 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2dsp h MET 59 CO -0.15 0.00 -0.41 0.66 1.06 0.00 0.00 176.91 178.07 2dsp n TYR 60 N -3.85 0.00 -1.76 -0.22 4.02 -0.63 -4.92 117.16 109.79 2dsp n TYR 60 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 2dsp n TYR 60 Cb 0.21 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.49 2dsp n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dsp s ALA 62 N -0.25 3.45 0.52 0.00 0.00 -0.29 -4.82 121.76 120.38 2dsp s ALA 62 Ca 0.61 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 2dsp s ALA 62 Cb -0.48 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 2dsp s ALA 62 CO 0.52 -0.39 1.07 -1.25 0.00 0.00 0.00 175.76 175.71 2dsp s PRO 63 N -1.12 3.58 0.37 0.00 0.04 -1.26 -4.72 135.00 131.88 2dsp s PRO 63 Ca 0.49 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 2dsp s PRO 63 Cb -0.35 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 2dsp s PRO 63 CO 0.43 -0.63 1.45 1.28 0.04 0.00 0.00 177.00 179.57 2dsp n LEU 64 N -1.26 4.48 -3.61 -3.56 4.77 -1.26 -4.99 117.00 111.57 2dsp n LEU 64 Ca 0.10 1.22 -0.05 0.00 -0.03 0.00 0.00 56.01 57.25 2dsp n LEU 64 Cb 0.52 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 39.96 2dsp n LEU 64 CO 0.42 0.01 0.13 -0.75 -1.33 0.00 0.00 177.39 175.87 2dsp s LYS 65 N -1.98 0.45 0.51 3.23 2.20 -1.26 -5.15 119.74 117.74 2dsp s LYS 65 Ca 0.54 1.20 -0.23 0.00 -0.36 0.00 0.00 55.97 57.12 2dsp s LYS 65 Cb -0.50 0.55 -0.06 0.00 -1.51 0.00 0.00 37.83 36.31 2dsp s LYS 65 CO 0.63 -0.27 1.30 -2.14 -0.36 0.00 0.00 175.35 174.51 2dsp s PRO 66 N 2.75 3.41 1.09 4.03 0.02 -1.26 -5.01 135.00 140.03 2dsp s PRO 66 Ca -0.02 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 62.99 2dsp s PRO 66 Cb -0.12 -2.36 0.24 0.00 0.02 0.00 0.00 34.50 32.28 2dsp s PRO 66 CO -0.16 -0.93 1.06 0.00 -0.33 0.00 0.00 177.00 176.64 2dsp s ALA 67 N -1.36 0.12 -1.27 -1.55 0.00 -1.26 -5.30 121.76 111.14 2dsp s ALA 67 Ca 0.68 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2dsp s ALA 67 Cb -0.37 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2dsp s ALA 67 CO 0.45 -3.50 0.32 1.63 0.00 0.00 0.00 175.76 174.65