#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha8 n GLU 2 N 0.00 0.00 -0.04 1.61 0.28 -1.26 -4.53 120.64 116.70 1ha8 n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 1ha8 n GLU 2 Cb 0.00 -0.95 0.05 0.00 1.43 0.00 0.00 31.44 31.96 1ha8 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ha8 h GLU 4 N 0.55 0.24 -0.22 0.00 5.08 -1.85 -1.65 114.58 116.73 1ha8 h GLU 4 Ca 0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1ha8 h GLU 4 Cb 0.99 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1ha8 h GLU 4 CO 0.09 0.16 0.02 0.37 -1.00 0.00 0.00 179.01 178.65 1ha8 h GLN 5 N 0.24 0.32 0.02 2.33 5.75 -1.71 0.02 115.11 122.08 1ha8 h GLN 5 Ca 0.21 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1ha8 h GLN 5 Cb 0.26 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1ha8 h GLN 5 CO -0.27 0.33 -0.01 0.00 -2.65 0.00 0.00 178.83 176.23 1ha8 h PHE 7 N -0.43 0.58 0.00 0.00 -1.00 -0.73 -2.21 116.94 113.15 1ha8 h PHE 7 Ca -0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1ha8 h PHE 7 Cb 0.41 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.82 1ha8 h PHE 7 CO 0.06 0.17 -0.08 1.03 -1.61 0.00 0.00 178.31 177.89 1ha8 h SER 8 N 0.54 0.00 -0.40 2.17 0.87 -0.99 -0.16 113.55 115.58 1ha8 h SER 8 Ca 0.36 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.67 1ha8 h SER 8 Cb 0.44 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.28 1ha8 h SER 8 CO -0.31 0.08 0.32 -0.67 -0.53 0.00 0.00 176.83 175.73 1ha8 n ASP 9 N -4.08 5.29 -3.56 6.23 2.03 -0.84 -4.83 116.55 116.79 1ha8 n ASP 9 Ca -0.03 -2.86 -0.20 0.00 0.52 0.00 0.00 54.79 52.23 1ha8 n ASP 9 Cb 0.17 -0.92 0.05 0.00 -0.72 0.00 0.00 41.12 39.70 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ha8 n GLY 10 N 0.29 -0.48 3.70 0.27 0.00 -0.12 -5.05 105.19 103.80 1ha8 n GLY 10 Ca 0.25 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.17 1.68 0.00 -0.02 0.00 -0.87 -5.02 107.32 98.92 1ha8 s GLY 11 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1ha8 s GLY 11 CO 0.78 -1.68 0.00 1.22 0.00 0.00 0.00 173.10 173.42 1ha8 n ASP 12 N -1.01 0.00 0.00 1.64 9.92 -1.26 -4.36 116.55 121.48 1ha8 n ASP 12 Ca -0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.18 1ha8 n ASP 12 Cb 0.59 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.06 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha8 n THR 14 N -3.52 0.81 -1.63 0.00 -1.04 -1.26 -1.39 114.28 106.24 1ha8 n THR 14 Ca -0.04 0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.97 1ha8 n THR 14 Cb 0.14 -1.12 0.11 0.00 -1.82 0.00 0.00 70.33 67.63 1ha8 n THR 14 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1ha8 n THR 15 N -2.25 2.80 -2.00 12.58 5.66 -1.26 -4.58 114.28 125.23 1ha8 n THR 15 Ca 0.02 -3.32 -0.00 0.00 -3.05 0.00 0.00 64.05 57.70 1ha8 n THR 15 Cb 0.25 -0.81 -0.00 0.00 -1.55 0.00 0.00 70.33 68.22 1ha8 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ha8 n PHE 17 N 0.00 0.00 -0.31 0.00 7.35 -1.18 -2.79 117.46 120.54 1ha8 n PHE 17 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ha8 n PHE 17 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.42 1ha8 n PHE 17 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ha8 n ASN 18 N -1.15 0.00 -1.42 -2.13 5.15 -1.26 -1.71 115.26 112.74 1ha8 n ASN 18 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ha8 n ASN 18 Cb 0.21 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 1ha8 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ha8 n ASN 19 N 0.00 -1.89 0.00 1.20 2.85 -1.26 -4.62 115.26 111.54 1ha8 n ASN 19 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ha8 n ASN 19 Cb 0.00 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.48 1ha8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ha8 n GLY 20 N -1.35 0.44 0.36 8.20 0.00 -0.69 -4.91 105.19 107.24 1ha8 n GLY 20 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.86 0.00 -4.23 2.61 -2.24 -0.92 -5.02 114.28 100.63 1ha8 n THR 21 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1ha8 n THR 21 Cb 0.47 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1ha8 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ha8 n GLY 22 N 0.00 3.00 0.23 3.38 0.00 -0.80 -4.72 105.19 106.28 1ha8 n GLY 22 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 1ha8 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ha8 h PRO 23 N 0.00 -0.49 0.00 1.61 0.13 -1.84 -1.95 132.00 129.46 1ha8 h PRO 23 Ca -0.21 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ha8 h PRO 23 Cb 1.04 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ha8 h PRO 23 CO 0.30 -0.29 0.00 0.00 -0.23 0.00 0.00 178.00 177.78 1ha8 h ALA 25 N 3.09 0.73 -0.12 0.00 0.00 -1.58 -0.40 119.26 120.99 1ha8 h ALA 25 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ha8 h ALA 25 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ha8 h ALA 25 CO 0.00 -0.17 0.13 -2.95 0.00 0.00 0.00 179.25 176.26 1ha8 h ASN 26 N 0.42 0.00 0.10 0.00 7.08 -1.85 -1.72 115.58 119.62 1ha8 h ASN 26 Ca 0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.50 1ha8 h ASN 26 Cb 0.31 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.55 1ha8 h ASN 26 CO -0.27 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.08 1ha8 n LEU 28 N -1.11 1.57 0.00 0.00 7.99 -0.65 -4.57 117.00 120.24 1ha8 n LEU 28 Ca 0.10 0.25 0.13 0.00 -0.01 0.00 0.00 56.01 56.47 1ha8 n LEU 28 Cb 0.08 -0.56 0.59 0.00 -0.11 0.00 0.00 43.42 43.41 1ha8 n LEU 28 CO 0.09 -0.46 0.93 0.00 -1.51 0.00 0.00 177.39 176.45 1ha8 n ALA 29 N -4.03 2.25 -2.75 -1.18 0.00 -1.24 -3.88 120.51 109.68 1ha8 n ALA 29 Ca -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 1ha8 n ALA 29 Cb 0.31 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.34 1ha8 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ha8 n GLY 30 N 1.26 -0.60 2.62 0.00 0.00 -1.22 -5.09 105.19 102.16 1ha8 n GLY 30 Ca 0.07 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1ha8 n GLY 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ha8 n TYR 31 N 2.67 3.28 1.60 1.61 4.11 -1.25 -4.74 117.16 124.44 1ha8 n TYR 31 Ca 0.16 -2.86 0.15 0.00 -0.00 0.00 0.00 57.90 55.34 1ha8 n TYR 31 Cb 0.58 -0.43 0.70 0.00 -0.00 0.00 0.00 39.34 40.19 1ha8 n TYR 31 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1ha8 n PRO 32 N -0.50 0.96 0.00 -3.48 -0.04 -1.26 -2.09 135.00 128.59 1ha8 n PRO 32 Ca 0.44 -0.30 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1ha8 n PRO 32 Cb 0.53 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1ha8 n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ha8 n ALA 33 N -0.76 3.75 -0.05 0.55 0.00 -1.26 -4.81 120.51 117.93 1ha8 n ALA 33 Ca 0.18 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 1ha8 n ALA 33 Cb 0.24 -0.50 0.14 0.00 0.00 0.00 0.00 19.45 19.34 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 3.22 0.72 1.92 0.00 0.00 -1.76 0.13 103.07 107.30 1ha8 h GLY 34 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1ha8 h GLY 34 CO 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 176.54 176.80 1ha8 h SER 36 N 0.09 0.14 -1.99 0.00 0.87 -1.67 -3.44 113.55 107.56 1ha8 h SER 36 Ca 0.01 -0.21 -0.53 0.00 -1.23 0.00 0.00 61.79 59.83 1ha8 h SER 36 Cb 0.53 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1ha8 h SER 36 CO 0.04 1.18 1.17 0.20 -0.53 0.00 0.00 176.83 178.89 1ha8 s ASN 37 N -6.60 6.04 0.59 6.23 -0.87 0.37 -4.89 114.94 115.81 1ha8 s ASN 37 Ca -0.05 -0.53 0.29 0.00 -1.57 0.00 0.00 52.86 50.99 1ha8 s ASN 37 Cb 0.08 -2.56 1.49 0.00 -0.02 0.00 0.00 41.25 40.25 1ha8 s ASN 37 CO 0.83 -1.90 1.91 0.77 -2.57 0.00 0.00 177.10 176.14 1ha8 h SER 38 N 10.78 0.00 -0.72 -1.22 4.64 -1.85 0.25 113.55 125.43 1ha8 h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ha8 h SER 38 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 1ha8 h SER 38 CO 1.30 0.00 0.46 -0.78 -0.87 0.00 0.00 176.83 176.94 1ha8 h ASP 39 N 0.00 0.84 0.00 4.97 3.58 -1.91 -3.21 116.42 120.70 1ha8 h ASP 39 Ca 0.20 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1ha8 h ASP 39 Cb 1.10 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1ha8 h ASP 39 CO -0.00 0.62 -0.55 0.00 -2.88 0.00 0.00 179.24 176.43 1ha8 h THR 41 N 0.00 0.31 -0.41 0.00 2.02 -0.63 0.98 112.91 115.18 1ha8 h THR 41 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1ha8 h THR 41 Cb 0.26 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1ha8 h THR 41 CO 0.00 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.69 1ha8 h ALA 42 N 0.12 0.89 0.43 6.16 0.00 -1.84 0.32 119.26 125.35 1ha8 h ALA 42 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ha8 h ALA 42 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ha8 h ALA 42 CO -0.21 0.63 -0.40 0.35 0.00 0.00 0.00 179.25 179.62 1ha8 h PHE 43 N 0.70 -1.10 -0.03 0.00 3.04 -1.81 -2.81 116.94 114.93 1ha8 h PHE 43 Ca 0.10 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 1ha8 h PHE 43 Cb 0.71 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.63 1ha8 h PHE 43 CO 0.04 -0.54 -0.29 -0.07 -2.02 0.00 0.00 178.31 175.43 1ha8 h LEU 44 N -0.82 0.05 -0.97 0.59 3.38 -0.47 0.11 115.31 117.18 1ha8 h LEU 44 Ca -0.06 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1ha8 h LEU 44 Cb 0.70 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1ha8 h LEU 44 CO -0.03 0.35 0.56 0.28 0.09 0.00 0.00 178.44 179.68 1ha8 h SER 45 N 0.05 0.69 0.48 -0.43 0.02 -0.36 0.13 113.55 114.13 1ha8 h SER 45 Ca 0.01 0.10 -0.30 0.00 -0.84 0.00 0.00 61.79 60.76 1ha8 h SER 45 Cb 0.54 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ha8 h SER 45 CO 0.04 0.23 -1.54 1.56 -1.14 0.00 0.00 176.83 175.98 1ha8 h GLN 46 N 0.69 0.20 0.00 3.45 4.20 -0.61 -2.63 115.11 120.42 1ha8 h GLN 46 Ca 0.56 -0.34 -0.23 0.00 0.06 0.00 0.00 58.65 58.70 1ha8 h GLN 46 Cb 0.90 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1ha8 h GLN 46 CO -0.40 1.04 -1.36 0.00 -0.67 0.00 0.00 178.83 177.43 1ha8 n TYR 48 N -3.10 0.00 -0.91 0.00 4.01 0.42 -5.02 117.16 112.56 1ha8 n TYR 48 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1ha8 n TYR 48 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1ha8 n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ha8 n GLY 49 N 2.02 0.65 1.17 2.72 0.00 -0.99 -4.67 105.19 106.09 1ha8 n GLY 49 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.68 -3.19 0.00 -0.02 0.00 -1.19 -4.88 105.19 93.23 1ha8 n GLY 50 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32