#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntm n LEU 2 N 0.00 0.19 0.25 -0.89 4.77 -1.26 -3.61 117.00 116.45 1ntm n LEU 2 Ca 0.00 -0.09 0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1ntm n LEU 2 Cb 0.00 -0.09 0.57 0.00 -2.33 0.00 0.00 43.42 41.57 1ntm n LEU 2 CO 0.00 0.05 0.90 0.71 -1.33 0.00 0.00 177.39 177.72 1ntm h THR 3 N 0.00 0.27 -0.36 -5.08 1.35 -2.09 -2.83 112.91 104.17 1ntm h THR 3 Ca 0.00 -0.80 0.06 0.00 -0.55 0.00 0.00 66.41 65.12 1ntm h THR 3 Cb 0.09 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1ntm h THR 3 CO 0.00 0.10 0.25 -0.09 -0.25 0.00 0.00 175.52 175.53 1ntm h ARG 4 N 0.00 0.21 -0.64 4.72 2.43 -2.07 -1.77 114.38 117.26 1ntm h ARG 4 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ntm h ARG 4 Cb 0.62 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ntm h ARG 4 CO 0.01 0.14 0.00 1.19 -1.51 0.00 0.00 179.97 179.80 1ntm n PHE 5 N -4.47 1.21 -3.70 2.20 3.01 -1.07 -4.83 117.46 109.81 1ntm n PHE 5 Ca 0.05 -0.46 -0.38 0.00 1.01 0.00 0.00 57.45 57.67 1ntm n PHE 5 Cb 0.28 -0.25 -0.11 0.00 -0.01 0.00 0.00 39.48 39.38 1ntm n PHE 5 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ntm s LEU 6 N -1.62 5.31 0.01 4.37 1.43 -0.67 -4.80 118.68 122.70 1ntm s LEU 6 Ca 0.38 -1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 51.28 1ntm s LEU 6 Cb 0.26 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1ntm s LEU 6 CO 0.16 -0.57 1.26 -0.83 0.23 0.00 0.00 176.35 176.59 1ntm s GLY 7 N 2.06 -0.23 0.13 -3.19 0.00 -1.26 -5.04 107.32 99.80 1ntm s GLY 7 Ca 0.06 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.79 1ntm s GLY 7 CO -0.03 2.88 1.60 -2.55 0.00 0.00 0.00 173.10 175.00 1ntm h PRO 8 N 2.00 -0.44 -0.39 2.90 0.11 -1.99 -1.61 132.00 132.58 1ntm h PRO 8 Ca -0.26 0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.95 1ntm h PRO 8 Cb 1.20 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 1ntm h PRO 8 CO 0.30 -0.29 -0.10 -0.09 -0.21 0.00 0.00 178.00 177.61 1ntm h ARG 9 N -0.45 -0.00 -0.41 1.05 2.43 -1.99 -1.03 114.38 113.97 1ntm h ARG 9 Ca 0.08 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1ntm h ARG 9 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1ntm h ARG 9 CO -0.36 -0.00 0.27 1.88 -1.51 0.00 0.00 179.97 180.25 1ntm h TYR 10 N -0.01 0.48 -0.23 2.20 -1.99 -1.77 0.87 116.97 116.52 1ntm h TYR 10 Ca 0.19 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.79 1ntm h TYR 10 Cb 0.29 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1ntm h TYR 10 CO -0.35 0.29 -0.43 -0.09 -0.00 0.00 0.00 178.16 177.58 1ntm h ARG 11 N 0.51 0.55 -0.21 4.88 2.43 -0.28 -1.40 114.38 120.85 1ntm h ARG 11 Ca 0.16 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 1ntm h ARG 11 Cb 0.02 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1ntm h ARG 11 CO -0.04 0.88 -0.51 1.96 -1.51 0.00 0.00 179.97 180.75 1ntm h GLN 12 N 0.45 0.60 -0.34 0.20 4.20 0.21 -2.65 115.11 117.78 1ntm h GLN 12 Ca 0.03 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1ntm h GLN 12 Cb 0.93 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1ntm h GLN 12 CO 0.08 0.97 0.13 1.25 -0.67 0.00 0.00 178.83 180.59 1ntm h LEU 13 N 0.47 0.47 -0.83 1.46 5.85 -0.67 -1.95 115.31 120.11 1ntm h LEU 13 Ca 0.02 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1ntm h LEU 13 Cb 1.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1ntm h LEU 13 CO 0.10 0.52 0.55 0.00 -0.34 0.00 0.00 178.44 179.27 1ntm h ALA 14 N 0.97 1.07 -0.53 1.25 0.00 -1.15 -2.44 119.26 118.43 1ntm h ALA 14 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ntm h ALA 14 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ntm h ALA 14 CO -0.01 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.71 1ntm h ARG 15 N 1.11 0.88 -0.16 0.00 -0.00 -1.30 -2.70 114.38 112.21 1ntm h ARG 15 Ca 0.31 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.98 59.50 1ntm h ARG 15 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 29.76 1ntm h ARG 15 CO -0.08 0.85 -0.16 -0.91 0.00 0.00 0.00 179.97 179.68 1ntm h ASN 16 N 0.82 0.25 -0.20 7.04 -0.26 -0.89 -2.62 115.58 119.72 1ntm h ASN 16 Ca 0.16 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1ntm h ASN 16 Cb 0.44 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1ntm h ASN 16 CO 0.02 0.43 0.00 0.79 -1.06 0.00 0.00 177.43 177.61 1ntm n TRP 17 N -4.24 0.24 0.20 1.19 7.02 -1.01 -4.53 117.44 116.31 1ntm n TRP 17 Ca -0.01 -0.12 -0.14 0.00 -1.02 0.00 0.00 57.50 56.21 1ntm n TRP 17 Cb 0.29 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.10 1ntm n TRP 17 CO 0.00 0.00 0.00 -0.24 -2.02 0.00 0.00 177.69 175.43 1ntm h VAL 18 N 3.24 0.63 -0.66 -0.99 3.04 -1.14 0.10 116.25 120.48 1ntm h VAL 18 Ca 0.00 -0.36 0.12 0.00 -1.01 0.00 0.00 66.70 65.45 1ntm h VAL 18 Cb 0.71 0.82 -0.09 0.00 -2.01 0.00 0.00 31.29 30.72 1ntm h VAL 18 CO 0.00 0.07 0.21 -0.65 -1.01 0.00 0.00 177.57 176.19 1ntm h PRO 19 N -0.70 0.34 0.30 4.17 0.11 -1.80 0.17 132.00 134.59 1ntm h PRO 19 Ca -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1ntm h PRO 19 Cb 0.49 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1ntm h PRO 19 CO 0.08 0.23 -0.15 1.15 -0.21 0.00 0.00 178.00 179.10 1ntm h THR 20 N 0.35 0.70 -0.28 -1.15 2.02 -1.80 -0.12 112.91 112.63 1ntm h THR 20 Ca 0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 1ntm h THR 20 Cb 0.50 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1ntm h THR 20 CO -0.38 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.64 1ntm h ALA 21 N 0.30 1.71 0.69 6.16 0.00 -0.12 -0.90 119.26 127.09 1ntm h ALA 21 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ntm h ALA 21 Cb 0.31 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ntm h ALA 21 CO 0.06 0.24 -0.33 0.37 0.00 0.00 0.00 179.25 179.60 1ntm h GLN 22 N 0.39 -0.89 -0.65 0.00 4.15 -0.47 -2.88 115.11 114.75 1ntm h GLN 22 Ca 0.10 0.06 0.18 0.00 0.77 0.00 0.00 58.65 59.77 1ntm h GLN 22 Cb 0.05 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1ntm h GLN 22 CO -0.01 -0.57 0.47 -0.07 -1.93 0.00 0.00 178.83 176.71 1ntm h LEU 23 N -1.15 0.03 -0.87 -2.39 4.07 -0.46 0.36 115.31 114.90 1ntm h LEU 23 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1ntm h LEU 23 Cb 0.74 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1ntm h LEU 23 CO 0.16 0.01 0.00 -0.25 -1.08 0.00 0.00 178.44 177.28 1ntm h TRP 24 N 0.03 0.00 0.01 1.13 -0.00 -1.13 -1.51 115.95 114.48 1ntm h TRP 24 Ca 0.31 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 58.92 1ntm h TRP 24 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.32 1ntm h TRP 24 CO -0.00 0.00 -1.63 0.78 -0.00 0.00 0.00 178.44 177.59 1ntm h GLY 25 N 2.81 0.03 1.04 2.65 0.00 -0.09 -2.77 103.07 106.73 1ntm h GLY 25 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1ntm h GLY 25 CO 0.00 0.07 0.16 0.00 0.00 0.00 0.00 176.54 176.76 1ntm h ALA 26 N 0.92 0.85 -0.45 3.60 0.00 -0.91 0.34 119.26 123.61 1ntm h ALA 26 Ca -0.26 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1ntm h ALA 26 Cb 1.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1ntm h ALA 26 CO 0.09 0.57 0.08 0.28 0.00 0.00 0.00 179.25 180.27 1ntm h VAL 27 N 0.96 1.24 -0.22 0.00 2.07 -1.33 -2.36 116.25 116.61 1ntm h VAL 27 Ca 0.20 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1ntm h VAL 27 Cb 0.36 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1ntm h VAL 27 CO 0.00 0.31 -0.36 1.23 0.02 0.00 0.00 177.57 178.77 1ntm h GLY 28 N 0.61 0.53 0.40 2.17 0.00 -1.30 0.07 103.07 105.55 1ntm h GLY 28 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1ntm h GLY 28 CO 0.01 0.45 -0.19 0.00 0.00 0.00 0.00 176.54 176.80 1ntm h ALA 29 N 1.20 -0.99 -0.92 3.60 0.00 -0.71 -1.60 119.26 119.84 1ntm h ALA 29 Ca 0.04 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ntm h ALA 29 Cb 0.82 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1ntm h ALA 29 CO 0.07 -0.95 0.59 0.28 0.00 0.00 0.00 179.25 179.23 1ntm h VAL 30 N -0.61 0.87 -0.36 0.00 2.07 -1.50 -0.93 116.25 115.78 1ntm h VAL 30 Ca -0.06 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1ntm h VAL 30 Cb 0.42 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1ntm h VAL 30 CO 0.09 0.14 0.15 1.23 0.02 0.00 0.00 177.57 179.20 1ntm h GLY 31 N 0.79 0.47 0.48 2.17 0.00 -0.85 0.12 103.07 106.24 1ntm h GLY 31 Ca 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ntm h GLY 31 CO -0.22 0.05 -0.05 -2.00 0.00 0.00 0.00 176.54 174.32 1ntm h LEU 32 N 0.31 -0.11 -0.58 3.11 5.85 -0.35 -2.51 115.31 121.03 1ntm h LEU 32 Ca 0.16 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1ntm h LEU 32 Cb 0.11 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 1ntm h LEU 32 CO -0.15 0.39 -0.49 0.58 -0.34 0.00 0.00 178.44 178.43 1ntm h VAL 33 N -0.66 0.04 -0.76 1.05 2.07 -0.97 -0.13 116.25 116.90 1ntm h VAL 33 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1ntm h VAL 33 Cb 0.52 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1ntm h VAL 33 CO 0.02 0.00 0.40 -0.25 0.02 0.00 0.00 177.57 177.76 1ntm h TRP 34 N -0.26 1.06 0.00 1.57 7.01 -0.88 0.17 115.95 124.62 1ntm h TRP 34 Ca 0.14 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1ntm h TRP 34 Cb 0.56 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1ntm h TRP 34 CO -0.76 0.76 0.00 0.00 -2.79 0.00 0.00 178.44 175.65 1ntm h ALA 35 N 1.20 1.00 -0.12 2.65 0.00 -0.78 -2.83 119.26 120.39 1ntm h ALA 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ntm h ALA 35 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ntm h ALA 35 CO -0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1ntm n THR 36 N -2.95 0.49 -3.78 0.00 -2.24 -0.17 -4.99 114.28 100.63 1ntm n THR 36 Ca 0.01 -0.74 -0.35 0.00 -2.27 0.00 0.00 64.05 60.70 1ntm n THR 36 Cb 0.33 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1ntm n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ntm n ASP 37 N 0.29 -4.83 -4.56 3.42 8.00 -0.52 -4.70 116.55 113.66 1ntm n ASP 37 Ca 0.06 -1.08 -0.20 0.00 0.71 0.00 0.00 54.79 54.27 1ntm n ASP 37 Cb 0.27 -2.98 -0.06 0.00 -0.02 0.00 0.00 41.12 38.33 1ntm n ASP 37 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1ntm s TRP 38 N -3.50 1.20 0.17 1.24 -0.11 -0.07 -4.82 118.94 113.05 1ntm s TRP 38 Ca 0.46 1.75 -0.19 0.00 1.22 0.00 0.00 56.10 59.33 1ntm s TRP 38 Cb -0.18 -3.54 0.11 0.00 -1.50 0.00 0.00 33.47 28.35 1ntm s TRP 38 CO 0.89 -1.82 1.31 2.89 -4.62 0.00 0.00 176.95 175.60 1ntm n ARG 39 N 8.88 -0.26 0.05 5.86 1.85 -1.26 0.98 116.66 132.75 1ntm n ARG 39 Ca 0.43 1.30 -0.11 0.00 -1.00 0.00 0.00 57.85 58.47 1ntm n ARG 39 Cb 0.46 -1.92 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 1ntm n ARG 39 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1ntm h LEU 40 N 0.00 -0.78 0.02 2.89 5.85 -2.00 -3.05 115.31 118.24 1ntm h LEU 40 Ca 0.24 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 1ntm h LEU 40 Cb 0.45 0.32 0.01 0.00 0.37 0.00 0.00 40.66 41.81 1ntm h LEU 40 CO -0.83 -0.33 -0.25 0.40 -0.34 0.00 0.00 178.44 177.10 1ntm h ILE 41 N -0.39 1.62 -0.09 4.05 1.08 -1.57 -3.35 117.51 118.86 1ntm h ILE 41 Ca 0.07 -2.16 0.03 0.00 -0.39 0.00 0.00 64.86 62.40 1ntm h ILE 41 Cb 0.49 3.04 -0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1ntm h ILE 41 CO -0.25 0.58 0.08 -0.07 -0.69 0.00 0.00 178.15 177.81 1ntm h LEU 42 N -0.65 0.00 -1.98 1.44 3.38 0.56 -2.66 115.31 115.39 1ntm h LEU 42 Ca -0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1ntm h LEU 42 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1ntm h LEU 42 CO 0.05 0.00 0.31 0.44 0.09 0.00 0.00 178.44 179.33 1ntm h ASP 43 N 0.00 0.02 0.74 -0.43 3.45 -1.67 -0.97 116.42 117.56 1ntm h ASP 43 Ca 0.04 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 1ntm h ASP 43 Cb 0.21 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1ntm h ASP 43 CO -0.00 0.01 -0.57 -0.50 -1.57 0.00 0.00 179.24 176.61 1ntm h TRP 44 N 0.02 0.00 -2.79 4.55 6.55 -1.72 -3.44 115.95 119.11 1ntm h TRP 44 Ca 0.20 0.00 -0.56 0.00 0.95 0.00 0.00 58.89 59.49 1ntm h TRP 44 Cb 0.79 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.07 1ntm h TRP 44 CO -0.00 0.57 0.96 0.08 -1.05 0.00 0.00 178.44 179.00 1ntm s VAL 45 N -3.52 3.91 0.49 1.49 1.01 -0.37 -4.99 120.40 118.42 1ntm s VAL 45 Ca -0.01 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 1ntm s VAL 45 Cb 0.12 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1ntm s VAL 45 CO 0.74 -0.08 1.34 -2.84 0.00 0.00 0.00 175.10 174.26 1ntm s PRO 46 N 3.51 3.46 0.00 2.72 0.02 -1.26 -2.70 135.00 140.75 1ntm s PRO 46 Ca 0.64 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.85 1ntm s PRO 46 Cb -0.28 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1ntm s PRO 46 CO 0.23 -0.93 0.00 0.98 -0.33 0.00 0.00 177.00 176.95 1ntm n TYR 47 N -0.62 0.00 -1.40 6.54 9.36 -1.26 -4.76 117.16 125.03 1ntm n TYR 47 Ca 0.08 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.20 1ntm n TYR 47 Cb 0.45 -0.43 0.20 0.00 -0.63 0.00 0.00 39.34 38.92 1ntm n TYR 47 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1ntm n ILE 48 N -1.99 2.74 -3.02 2.97 5.41 -1.10 -4.77 119.36 119.60 1ntm n ILE 48 Ca 0.00 -2.53 -0.43 0.00 1.00 0.00 0.00 62.75 60.79 1ntm n ILE 48 Cb 0.00 -0.36 0.01 0.00 -0.71 0.00 0.00 39.64 38.58 1ntm n ILE 48 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ntm n ASN 49 N -1.12 6.39 -2.08 4.38 3.02 -1.26 -4.79 115.26 119.80 1ntm n ASN 49 Ca 0.40 -3.41 -0.14 0.00 -0.03 0.00 0.00 54.58 51.40 1ntm n ASN 49 Cb 1.21 -1.27 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 1ntm n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ntm n GLY 50 N 1.34 3.22 0.00 7.41 0.00 -1.26 -5.17 105.19 110.73 1ntm n GLY 50 Ca 0.26 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ntm n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60