#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha8 h GLU 2 N 0.00 0.58 0.06 1.61 4.39 -1.92 0.14 114.58 119.43 1ha8 h GLU 2 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ha8 h GLU 2 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1ha8 h GLU 2 CO 0.00 0.38 -0.03 0.00 -1.16 0.00 0.00 179.01 178.21 1ha8 h GLU 4 N -0.14 0.95 0.00 0.00 5.08 -1.28 -2.21 114.58 116.98 1ha8 h GLU 4 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1ha8 h GLU 4 Cb 0.12 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ha8 h GLU 4 CO 0.01 0.63 -0.13 0.37 -1.00 0.00 0.00 179.01 178.90 1ha8 h GLN 5 N 0.98 0.00 0.19 2.33 5.75 -0.13 0.17 115.11 124.41 1ha8 h GLN 5 Ca 0.41 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.65 1ha8 h GLN 5 Cb 0.26 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.83 1ha8 h GLN 5 CO -0.20 0.13 -1.16 0.00 -2.65 0.00 0.00 178.83 174.94 1ha8 h PHE 7 N -0.13 1.08 -0.66 0.00 -1.00 -0.86 -2.07 116.94 113.29 1ha8 h PHE 7 Ca -0.21 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.59 1ha8 h PHE 7 Cb 1.89 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 41.07 1ha8 h PHE 7 CO 0.16 0.53 0.38 1.03 -1.61 0.00 0.00 178.31 178.80 1ha8 h SER 8 N 1.04 0.82 -0.37 2.17 0.87 -0.73 -0.87 113.55 116.48 1ha8 h SER 8 Ca 0.42 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.67 1ha8 h SER 8 Cb 0.23 -0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 61.87 1ha8 h SER 8 CO -0.19 0.66 0.29 0.47 -0.53 0.00 0.00 176.83 177.52 1ha8 n ASP 9 N -4.54 4.91 -2.92 6.23 9.92 -0.82 -4.86 116.55 124.46 1ha8 n ASP 9 Ca 0.05 -2.77 -0.12 0.00 -0.53 0.00 0.00 54.79 51.42 1ha8 n ASP 9 Cb 0.08 -0.88 0.06 0.00 -0.64 0.00 0.00 41.12 39.74 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ha8 n GLY 10 N 0.30 -0.71 3.38 0.44 0.00 -0.33 -5.02 105.19 103.25 1ha8 n GLY 10 Ca 0.23 0.38 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 1ha8 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ha8 s GLY 11 N -3.40 1.60 0.00 -0.02 0.00 -0.94 -4.99 107.32 99.57 1ha8 s GLY 11 Ca 0.33 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1ha8 s GLY 11 CO 0.60 -1.81 0.00 1.22 0.00 0.00 0.00 173.10 173.11 1ha8 n ASP 12 N -0.47 0.07 0.19 1.64 9.92 -1.26 -4.23 116.55 122.42 1ha8 n ASP 12 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1ha8 n ASP 12 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha8 h THR 14 N 0.00 0.45 -0.23 0.00 2.02 -1.99 0.19 112.91 113.36 1ha8 h THR 14 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1ha8 h THR 14 Cb 0.00 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 1ha8 h THR 14 CO 0.00 0.00 0.18 1.07 0.37 0.00 0.00 175.52 177.14 1ha8 n THR 15 N -5.37 2.02 -0.62 3.16 5.66 -1.26 -1.87 114.28 116.00 1ha8 n THR 15 Ca -0.08 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1ha8 n THR 15 Cb 0.28 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 1ha8 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ha8 h PHE 17 N 0.00 0.50 -6.42 0.00 3.57 0.11 -2.41 116.94 112.29 1ha8 h PHE 17 Ca 0.00 -0.36 -0.49 0.00 3.53 0.00 0.00 57.97 60.65 1ha8 h PHE 17 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1ha8 h PHE 17 CO 0.00 1.56 -0.86 -1.71 -2.23 0.00 0.00 178.31 175.07 1ha8 n ASN 18 N -3.46 -1.02 -3.69 0.41 2.85 -1.01 -0.68 115.26 108.66 1ha8 n ASN 18 Ca -0.24 -0.95 -0.27 0.00 -0.11 0.00 0.00 54.58 53.01 1ha8 n ASN 18 Cb 1.06 -3.29 -0.06 0.00 1.24 0.00 0.00 39.78 38.73 1ha8 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ha8 n ASN 19 N -2.96 -0.58 0.00 1.20 5.15 -1.26 -1.55 115.26 115.26 1ha8 n ASN 19 Ca -0.25 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.84 1ha8 n ASN 19 Cb 0.66 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 1ha8 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ha8 n GLY 20 N -1.33 0.92 2.58 8.20 0.00 0.14 -4.98 105.19 110.72 1ha8 n GLY 20 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1ha8 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ha8 n THR 21 N -1.88 1.11 -4.15 2.61 -2.24 -0.59 -4.85 114.28 104.29 1ha8 n THR 21 Ca 0.00 -3.62 -0.14 0.00 -2.27 0.00 0.00 64.05 58.02 1ha8 n THR 21 Cb 0.00 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ha8 s GLY 22 N -3.11 1.53 0.00 3.38 0.00 -1.01 -4.72 107.32 103.40 1ha8 s GLY 22 Ca 0.33 -1.60 0.18 0.00 0.00 0.00 0.00 44.72 43.63 1ha8 s GLY 22 CO -0.02 -1.17 1.58 -1.55 0.00 0.00 0.00 173.10 171.95 1ha8 n PRO 23 N -0.47 0.07 -0.01 2.90 -0.04 -1.06 -1.20 135.00 135.18 1ha8 n PRO 23 Ca 0.02 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1ha8 n PRO 23 Cb 0.63 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1ha8 n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ha8 h ALA 25 N 0.00 0.45 0.00 0.00 0.00 -1.30 -2.86 119.26 115.54 1ha8 h ALA 25 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ha8 h ALA 25 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ha8 h ALA 25 CO 0.00 -0.23 0.00 -0.91 0.00 0.00 0.00 179.25 178.11 1ha8 h ASN 26 N 0.32 0.00 0.00 0.00 2.35 -1.89 -2.24 115.58 114.12 1ha8 h ASN 26 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1ha8 h ASN 26 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ha8 h ASN 26 CO -0.16 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.62 1ha8 n LEU 28 N -0.76 1.04 0.03 0.00 4.77 -0.84 -4.62 117.00 116.62 1ha8 n LEU 28 Ca 0.05 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1ha8 n LEU 28 Cb 0.02 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1ha8 n LEU 28 CO 0.04 -0.47 0.78 0.00 -1.33 0.00 0.00 177.39 176.40 1ha8 h ALA 29 N -0.18 -0.11 -3.43 -1.18 0.00 -1.68 -3.30 119.26 109.39 1ha8 h ALA 29 Ca -0.03 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1ha8 h ALA 29 Cb 0.42 0.24 -0.39 0.00 0.00 0.00 0.00 17.79 18.06 1ha8 h ALA 29 CO -0.02 -0.61 -0.77 0.20 0.00 0.00 0.00 179.25 178.06 1ha8 s GLY 30 N -2.49 1.16 -0.40 0.00 0.00 -1.26 -5.06 107.32 99.27 1ha8 s GLY 30 Ca -0.14 -1.39 0.11 0.00 0.00 0.00 0.00 44.72 43.29 1ha8 s GLY 30 CO 0.67 1.23 1.01 1.58 0.00 0.00 0.00 173.10 177.58 1ha8 n TYR 31 N 4.77 2.35 0.18 1.90 4.11 -1.24 -4.85 117.16 124.37 1ha8 n TYR 31 Ca -0.07 -3.12 0.05 0.00 -0.00 0.00 0.00 57.90 54.76 1ha8 n TYR 31 Cb 0.44 -0.26 0.26 0.00 -0.00 0.00 0.00 39.34 39.78 1ha8 n TYR 31 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1ha8 h PRO 32 N 2.81 0.00 -0.02 -3.48 0.13 -1.94 -2.61 132.00 126.89 1ha8 h PRO 32 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ha8 h PRO 32 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ha8 h PRO 32 CO 0.69 0.40 -0.07 0.00 -0.23 0.00 0.00 178.00 178.79 1ha8 n ALA 33 N -2.27 2.61 0.10 -0.56 0.00 -1.26 -4.77 120.51 114.36 1ha8 n ALA 33 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 53.44 52.87 1ha8 n ALA 33 Cb 0.57 -0.59 0.46 0.00 0.00 0.00 0.00 19.45 19.90 1ha8 n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ha8 h GLY 34 N 3.44 0.34 2.00 0.00 0.00 -1.81 -0.59 103.07 106.45 1ha8 h GLY 34 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1ha8 h GLY 34 CO 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 176.54 176.60 1ha8 h SER 36 N 0.00 0.00 -0.97 0.00 0.87 -1.48 -3.42 113.55 108.55 1ha8 h SER 36 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 1ha8 h SER 36 Cb 0.26 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.13 1ha8 h SER 36 CO 0.01 0.56 1.74 0.20 -0.53 0.00 0.00 176.83 178.82 1ha8 s ASN 37 N -6.49 6.53 0.00 6.23 -0.87 -0.54 -4.86 114.94 114.94 1ha8 s ASN 37 Ca 0.04 -1.83 0.00 0.00 -1.57 0.00 0.00 52.86 49.49 1ha8 s ASN 37 Cb 0.08 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1ha8 s ASN 37 CO 0.75 -1.48 0.75 -1.20 -2.57 0.00 0.00 177.10 173.36 1ha8 n SER 38 N 9.09 0.00 0.04 -1.22 7.64 -1.26 0.23 113.62 128.13 1ha8 n SER 38 Ca 0.40 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.48 1ha8 n SER 38 Cb 0.49 -0.27 0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1ha8 n SER 38 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ha8 h ASP 39 N 0.00 0.48 0.00 6.43 3.58 -1.91 -3.39 116.42 121.61 1ha8 h ASP 39 Ca 0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 1ha8 h ASP 39 Cb 0.04 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1ha8 h ASP 39 CO 0.00 0.94 -1.46 0.00 -2.88 0.00 0.00 179.24 175.83 1ha8 h THR 41 N 0.00 0.38 -0.24 0.00 2.02 -0.94 0.11 112.91 114.24 1ha8 h THR 41 Ca -0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.13 1ha8 h THR 41 Cb 0.78 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1ha8 h THR 41 CO 0.00 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.97 1ha8 h ALA 42 N 1.39 0.26 0.36 6.16 0.00 -1.84 0.15 119.26 125.74 1ha8 h ALA 42 Ca 0.25 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ha8 h ALA 42 Cb 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ha8 h ALA 42 CO -0.58 -0.34 -0.34 0.35 0.00 0.00 0.00 179.25 178.34 1ha8 h PHE 43 N 0.18 -0.92 -0.28 0.00 3.04 -1.71 -2.79 116.94 114.46 1ha8 h PHE 43 Ca 0.11 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.01 1ha8 h PHE 43 Cb 0.09 0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 1ha8 h PHE 43 CO -0.13 -0.49 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.53 1ha8 h LEU 44 N -0.72 0.43 -0.65 0.59 3.38 -0.40 0.09 115.31 118.02 1ha8 h LEU 44 Ca -0.02 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1ha8 h LEU 44 Cb 0.65 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1ha8 h LEU 44 CO -0.05 0.55 0.23 -1.28 0.09 0.00 0.00 178.44 177.98 1ha8 h SER 45 N 0.43 0.21 0.74 -0.43 0.87 -0.67 0.75 113.55 115.45 1ha8 h SER 45 Ca 0.09 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1ha8 h SER 45 Cb 0.39 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ha8 h SER 45 CO 0.02 0.11 -0.36 1.56 -0.53 0.00 0.00 176.83 177.63 1ha8 h GLN 46 N 0.40 -0.96 0.00 2.24 1.08 -0.82 -2.52 115.11 114.52 1ha8 h GLN 46 Ca 0.34 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1ha8 h GLN 46 Cb 0.47 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1ha8 h GLN 46 CO -0.35 -0.64 -0.57 0.00 -0.95 0.00 0.00 178.83 176.32 1ha8 n TYR 48 N -1.97 0.00 -0.17 0.00 4.02 0.22 -4.99 117.16 114.27 1ha8 n TYR 48 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1ha8 n TYR 48 Cb 0.41 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1ha8 n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ha8 n GLY 49 N 2.07 0.85 0.00 2.72 0.00 -0.96 -4.75 105.19 105.12 1ha8 n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ha8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha8 n GLY 50 N -2.00 0.26 0.00 -0.02 0.00 -0.96 -4.77 105.19 97.71 1ha8 n GLY 50 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.68 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32