#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 0.59 -0.07 1.61 9.09 -1.95 -0.44 114.58 123.41 1ha8 h GLU 2 Ca 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.36 1ha8 h GLU 2 Cb 0.00 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 26.96 1ha8 h GLU 2 CO 0.00 0.39 -0.01 0.00 0.05 0.00 0.00 179.01 179.44 1ha8 h GLU 4 N -0.19 0.74 -0.30 0.00 5.08 -1.36 -1.81 114.58 116.74 1ha8 h GLU 4 Ca 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ha8 h GLU 4 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ha8 h GLU 4 CO 0.01 0.49 0.08 0.37 -1.00 0.00 0.00 179.01 178.96 1ha8 h GLN 5 N 0.77 0.48 -0.85 2.33 -0.00 -1.12 -1.93 115.11 114.78 1ha8 h GLN 5 Ca 0.31 -0.11 0.11 0.00 -0.00 0.00 0.00 58.65 58.96 1ha8 h GLN 5 Cb 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.51 1ha8 h GLN 5 CO -0.17 0.54 0.55 0.00 0.00 0.00 0.00 178.83 179.76 1ha8 h PHE 7 N 0.76 0.67 -0.74 0.00 -1.00 -0.95 -1.53 116.94 114.15 1ha8 h PHE 7 Ca 0.40 -0.11 0.13 0.00 2.81 0.00 0.00 57.97 61.20 1ha8 h PHE 7 Cb 0.52 -0.17 -0.09 0.00 3.61 0.00 0.00 35.95 39.81 1ha8 h PHE 7 CO -0.00 0.71 0.32 1.03 -1.61 0.00 0.00 178.31 178.76 1ha8 h SER 8 N 0.43 0.34 -0.04 2.17 0.87 -0.52 -2.53 113.55 114.26 1ha8 h SER 8 Ca 0.10 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1ha8 h SER 8 Cb 0.44 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ha8 h SER 8 CO 0.02 0.15 0.04 -0.67 -0.53 0.00 0.00 176.83 175.83 1ha8 n ASP 9 N -4.96 4.97 -0.19 6.23 -0.08 -0.56 -4.71 116.55 117.25 1ha8 n ASP 9 Ca 0.13 -2.39 -0.03 0.00 -1.51 0.00 0.00 54.79 51.00 1ha8 n ASP 9 Cb 0.38 -1.00 -0.01 0.00 2.34 0.00 0.00 41.12 42.83 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ha8 n GLY 10 N 1.20 0.58 3.77 0.27 0.00 -0.97 -4.99 105.19 105.04 1ha8 n GLY 10 Ca 0.03 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.49 2.54 0.00 -0.02 0.00 -0.61 -5.00 107.32 101.74 1ha8 s GLY 11 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1ha8 s GLY 11 CO 0.00 1.15 0.00 2.09 0.00 0.00 0.00 173.10 176.34 1ha8 n ASP 12 N -1.59 0.00 0.15 1.64 5.68 -1.26 -4.69 116.55 116.49 1ha8 n ASP 12 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1ha8 n ASP 12 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ha8 h THR 14 N 0.00 0.23 -0.44 0.00 2.02 -1.98 -2.58 112.91 110.16 1ha8 h THR 14 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 1ha8 h THR 14 Cb 0.00 0.23 -0.13 0.00 -1.74 0.00 0.00 68.15 66.51 1ha8 h THR 14 CO 0.00 0.00 0.33 1.07 0.37 0.00 0.00 175.52 177.29 1ha8 n THR 15 N -5.42 2.32 -2.08 3.16 5.66 -1.26 -2.72 114.28 113.94 1ha8 n THR 15 Ca 0.01 -1.18 -0.05 0.00 -3.05 0.00 0.00 64.05 59.79 1ha8 n THR 15 Cb 0.34 -1.04 -0.05 0.00 -1.55 0.00 0.00 70.33 68.02 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 0.08 0.00 -1.00 0.00 7.35 -1.10 -3.11 117.46 119.68 1ha8 n PHE 17 Ca -0.21 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.42 1ha8 n PHE 17 Cb 0.76 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.57 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 -1.40 -3.80 -3.22 -2.13 5.15 -1.26 -1.67 115.26 106.94 1ha8 n ASN 18 Ca 0.00 0.16 -0.12 0.00 -0.60 0.00 0.00 54.58 54.02 1ha8 n ASN 18 Cb 0.29 -2.88 0.05 0.00 -0.53 0.00 0.00 39.78 36.71 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 -0.06 -6.90 0.00 1.20 5.15 -1.26 -4.48 115.26 108.92 1ha8 n ASN 19 Ca -0.06 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 1ha8 n ASN 19 Cb 0.39 -5.16 0.00 0.00 -0.53 0.00 0.00 39.78 34.47 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 -1.38 0.93 0.06 8.20 0.00 -0.67 -4.89 105.19 107.43 1ha8 n GLY 20 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ha8 n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ha8 n THR 21 N -2.14 0.00 -1.55 2.61 -1.04 -1.15 -4.86 114.28 106.14 1ha8 n THR 21 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1ha8 n THR 21 Cb 0.00 0.79 0.06 0.00 -1.82 0.00 0.00 70.33 69.36 1ha8 n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ha8 n GLY 22 N 0.00 -0.80 0.07 3.41 0.00 -0.77 -4.93 105.19 102.18 1ha8 n GLY 22 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 0.09 -3.60 1.61 0.13 -1.88 -3.33 132.00 125.01 1ha8 h PRO 23 Ca -0.14 -0.03 -0.78 0.00 -0.87 0.00 0.00 66.00 64.18 1ha8 h PRO 23 Cb 0.40 -0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.24 1ha8 h PRO 23 CO 0.11 0.43 0.29 0.00 -0.23 0.00 0.00 178.00 178.60 1ha8 n ALA 25 N 2.97 3.00 0.08 0.00 0.00 -1.25 -4.54 120.51 120.76 1ha8 n ALA 25 Ca 0.21 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.81 1ha8 n ALA 25 Cb 0.41 0.26 0.66 0.00 0.00 0.00 0.00 19.45 20.78 1ha8 n ALA 25 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1ha8 h ASN 26 N 0.00 0.02 0.00 0.00 -1.07 -1.87 -0.44 115.58 112.22 1ha8 h ASN 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ha8 h ASN 26 Cb 0.07 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 1ha8 h ASN 26 CO 0.00 0.01 0.00 0.00 0.07 0.00 0.00 177.43 177.51 1ha8 n LEU 28 N -0.96 1.75 0.00 0.00 7.99 -0.17 -4.60 117.00 121.01 1ha8 n LEU 28 Ca 0.03 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 1ha8 n LEU 28 Cb 0.02 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1ha8 n LEU 28 CO 0.03 -0.27 0.05 0.00 -1.51 0.00 0.00 177.39 175.69 1ha8 n ALA 29 N -4.23 -0.02 -1.73 -1.18 0.00 -1.21 -4.18 120.51 107.95 1ha8 n ALA 29 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1ha8 n ALA 29 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 1.86 4.51 2.64 0.00 0.00 -1.17 -4.74 105.19 108.29 1ha8 n GLY 30 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 4.53 3.28 1.19 1.61 4.11 -1.21 -4.60 117.16 126.06 1ha8 n TYR 31 Ca 0.59 -2.86 0.14 0.00 -0.00 0.00 0.00 57.90 55.77 1ha8 n TYR 31 Cb 0.32 -0.47 0.61 0.00 -0.00 0.00 0.00 39.34 39.80 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 -0.49 0.24 0.00 -3.48 -0.04 -1.26 -2.06 135.00 127.91 1ha8 n PRO 32 Ca 0.44 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1ha8 n PRO 32 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.34 2.34 0.16 0.55 0.00 -1.26 -4.84 120.51 116.12 1ha8 n ALA 33 Ca 0.10 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 53.17 1ha8 n ALA 33 Cb 0.30 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 0.05 2.00 0.00 0.00 -1.76 0.04 103.07 103.39 1ha8 h GLY 34 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1ha8 h GLY 34 CO 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 176.54 176.42 1ha8 n SER 36 N -3.62 0.68 -4.56 0.00 2.88 -0.06 -4.70 113.62 104.24 1ha8 n SER 36 Ca -0.02 0.29 -0.39 0.00 -1.33 0.00 0.00 58.87 57.42 1ha8 n SER 36 Cb 0.26 0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 64.18 1ha8 n SER 36 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ha8 s ASN 37 N -5.55 6.21 0.41 -3.46 -0.87 -0.84 -4.87 114.94 105.96 1ha8 s ASN 37 Ca -0.04 -1.00 0.25 0.00 -1.57 0.00 0.00 52.86 50.50 1ha8 s ASN 37 Cb 0.09 -2.56 1.33 0.00 -0.02 0.00 0.00 41.25 40.09 1ha8 s ASN 37 CO 0.82 -1.77 1.64 0.28 -2.57 0.00 0.00 177.10 175.50 1ha8 h SER 38 N 10.27 0.31 -0.05 -1.22 0.02 -1.85 0.46 113.55 121.48 1ha8 h SER 38 Ca 0.03 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1ha8 h SER 38 Cb 1.03 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ha8 h SER 38 CO 1.36 -0.17 0.04 -0.78 -1.14 0.00 0.00 176.83 176.13 1ha8 h ASP 39 N 0.14 0.00 0.00 3.07 3.58 -1.92 -3.02 116.42 118.28 1ha8 h ASP 39 Ca 0.79 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.24 1ha8 h ASP 39 Cb 2.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.34 1ha8 h ASP 39 CO -0.47 0.00 -0.89 0.00 -2.88 0.00 0.00 179.24 175.00 1ha8 h THR 41 N 0.00 0.00 -0.40 0.00 2.02 -0.38 -0.25 112.91 113.90 1ha8 h THR 41 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1ha8 h THR 41 Cb 0.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1ha8 h THR 41 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1ha8 h ALA 42 N -0.83 1.16 0.12 6.16 0.00 -1.87 0.16 119.26 124.16 1ha8 h ALA 42 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1ha8 h ALA 42 Cb 0.86 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1ha8 h ALA 42 CO -0.11 0.54 -0.40 0.35 0.00 0.00 0.00 179.25 179.62 1ha8 h PHE 43 N 0.62 -1.13 0.00 0.00 3.04 -1.80 -2.29 116.94 115.38 1ha8 h PHE 43 Ca 0.12 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.00 1ha8 h PHE 43 Cb 0.47 0.48 -0.01 0.00 2.56 0.00 0.00 35.95 39.45 1ha8 h PHE 43 CO 0.02 -0.50 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.29 1ha8 h LEU 44 N -0.64 0.00 -0.96 0.59 3.38 -0.56 0.58 115.31 117.70 1ha8 h LEU 44 Ca 0.02 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1ha8 h LEU 44 Cb 0.67 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1ha8 h LEU 44 CO -0.24 0.45 0.58 -1.28 0.09 0.00 0.00 178.44 178.05 1ha8 h SER 45 N 0.00 0.82 0.04 -0.43 0.87 -0.51 0.22 113.55 114.56 1ha8 h SER 45 Ca -0.00 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ha8 h SER 45 Cb 0.93 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ha8 h SER 45 CO 0.06 0.40 -0.02 1.56 -0.53 0.00 0.00 176.83 178.30 1ha8 h GLN 46 N 0.88 -0.06 0.00 2.24 4.20 -0.85 -2.88 115.11 118.65 1ha8 h GLN 46 Ca 0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1ha8 h GLN 46 Cb 0.57 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1ha8 h GLN 46 CO -0.30 -0.04 0.00 0.00 -0.67 0.00 0.00 178.83 177.83 1ha8 n TYR 48 N -2.29 0.00 0.00 0.00 4.01 0.63 -5.03 117.16 114.48 1ha8 n TYR 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ha8 n TYR 48 Cb 0.13 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 2.33 1.23 3.17 2.72 0.00 -0.45 -4.88 105.19 109.29 1ha8 n GLY 49 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.36 -1.21 3.60 -0.02 0.00 -0.86 -4.80 105.19 101.54 1ha8 n GLY 50 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32