#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 0.80 -0.13 1.61 4.11 -1.93 -2.05 114.58 116.99 1ha8 h GLU 2 Ca 0.00 -0.35 -0.03 0.00 0.07 0.00 0.00 59.36 59.05 1ha8 h GLU 2 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ha8 h GLU 2 CO 0.00 0.98 -0.03 0.00 0.07 0.00 0.00 179.01 180.02 1ha8 h GLU 4 N -0.07 0.39 0.00 0.00 5.08 -1.60 -0.37 114.58 118.00 1ha8 h GLU 4 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ha8 h GLU 4 Cb 0.46 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ha8 h GLU 4 CO 0.01 0.26 -0.06 0.37 -1.00 0.00 0.00 179.01 178.59 1ha8 h GLN 5 N 0.40 0.00 0.01 2.33 5.75 -1.23 0.44 115.11 122.81 1ha8 h GLN 5 Ca 0.15 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1ha8 h GLN 5 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1ha8 h GLN 5 CO -0.03 0.06 -0.00 0.00 -2.65 0.00 0.00 178.83 176.20 1ha8 h PHE 7 N -0.70 0.67 -0.28 0.00 0.04 -1.13 0.12 116.94 115.66 1ha8 h PHE 7 Ca -0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1ha8 h PHE 7 Cb 0.68 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1ha8 h PHE 7 CO 0.16 0.26 0.20 1.03 -0.60 0.00 0.00 178.31 179.36 1ha8 h SER 8 N 0.57 0.04 -0.95 2.17 0.87 -0.95 -1.53 113.55 113.78 1ha8 h SER 8 Ca 0.40 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.39 1ha8 h SER 8 Cb 0.74 -0.01 -0.29 0.00 -0.44 0.00 0.00 62.40 62.40 1ha8 h SER 8 CO -0.16 0.03 0.65 -0.67 -0.53 0.00 0.00 176.83 176.15 1ha8 n ASP 9 N -4.47 5.53 -0.06 6.23 -0.08 0.42 -4.92 116.55 119.21 1ha8 n ASP 9 Ca 0.03 -3.71 -0.01 0.00 -1.51 0.00 0.00 54.79 49.60 1ha8 n ASP 9 Cb 0.32 -0.87 -0.00 0.00 2.34 0.00 0.00 41.12 42.91 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 -1.03 0.48 3.88 0.27 0.00 -0.58 -5.05 105.19 103.17 1ha8 n GLY 10 Ca 0.59 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.30 1.63 0.00 -0.02 0.00 -1.23 -5.02 107.32 100.38 1ha8 s GLY 11 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1ha8 s GLY 11 CO 0.00 0.05 0.00 2.09 0.00 0.00 0.00 173.10 175.24 1ha8 n ASP 12 N -2.96 0.00 0.00 1.64 5.68 -1.26 -4.54 116.55 115.11 1ha8 n ASP 12 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1ha8 n ASP 12 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.22 -0.85 0.00 2.02 -2.00 -2.94 112.91 109.35 1ha8 h THR 14 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 1ha8 h THR 14 Cb 0.00 0.22 -0.26 0.00 -1.74 0.00 0.00 68.15 66.37 1ha8 h THR 14 CO 0.00 0.00 0.66 0.41 0.37 0.00 0.00 175.52 176.96 1ha8 n THR 15 N -5.51 3.14 -0.76 3.16 -1.04 -1.26 -3.84 114.28 108.17 1ha8 n THR 15 Ca -0.12 -2.10 0.00 0.00 -2.04 0.00 0.00 64.05 59.79 1ha8 n THR 15 Cb 0.40 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1ha8 n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ha8 h PHE 17 N 0.00 0.26 -6.46 0.00 3.57 -1.62 -3.27 116.94 109.42 1ha8 h PHE 17 Ca 0.00 -0.19 -0.51 0.00 3.53 0.00 0.00 57.97 60.81 1ha8 h PHE 17 Cb 0.00 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 38.59 1ha8 h PHE 17 CO 0.00 1.18 -0.78 -1.71 -2.23 0.00 0.00 178.31 174.77 1ha8 n ASN 18 N -3.40 -3.94 -3.91 0.41 2.85 -1.26 -0.94 115.26 105.07 1ha8 n ASN 18 Ca -0.08 -0.86 -0.28 0.00 -0.11 0.00 0.00 54.58 53.24 1ha8 n ASN 18 Cb 1.00 -3.19 0.00 0.00 1.24 0.00 0.00 39.78 38.83 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 -2.68 -2.05 0.00 1.20 5.15 -1.26 -2.19 115.26 113.43 1ha8 n ASN 19 Ca 0.06 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 1ha8 n ASN 19 Cb 0.51 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.73 0.76 0.18 8.20 0.00 -0.12 -4.90 105.19 107.57 1ha8 n GLY 20 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.30 0.00 -1.79 2.61 -1.04 -0.93 -4.90 114.28 105.93 1ha8 n THR 21 Ca 0.00 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.34 1ha8 n THR 21 Cb 0.00 1.09 0.19 0.00 -1.82 0.00 0.00 70.33 69.80 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ha8 s GLY 22 N -1.44 1.74 -0.02 3.41 0.00 -0.33 -4.92 107.32 105.75 1ha8 s GLY 22 Ca 0.07 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 1ha8 s GLY 22 CO 0.27 -0.36 1.22 -0.56 0.00 0.00 0.00 173.10 173.67 1ha8 h PRO 23 N -1.78 0.07 -1.00 2.90 0.13 -1.86 -2.90 132.00 127.54 1ha8 h PRO 23 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ha8 h PRO 23 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ha8 h PRO 23 CO 0.38 0.60 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 1ha8 h ALA 25 N 1.82 0.01 0.00 0.00 0.00 -1.70 -3.29 119.26 116.10 1ha8 h ALA 25 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1ha8 h ALA 25 Cb 0.49 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ha8 h ALA 25 CO 0.00 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.83 1ha8 n ASN 26 N -4.12 0.49 0.06 0.00 3.02 -1.26 -1.83 115.26 111.62 1ha8 n ASN 26 Ca -0.17 0.64 0.05 0.00 -0.03 0.00 0.00 54.58 55.07 1ha8 n ASN 26 Cb 0.81 -0.74 0.26 0.00 -0.61 0.00 0.00 39.78 39.50 1ha8 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ha8 n LEU 28 N -1.81 1.58 0.29 0.00 7.99 -0.76 -4.57 117.00 119.72 1ha8 n LEU 28 Ca -0.00 0.25 -0.16 0.00 -0.01 0.00 0.00 56.01 56.09 1ha8 n LEU 28 Cb 0.04 -0.57 -0.08 0.00 -0.11 0.00 0.00 43.42 42.70 1ha8 n LEU 28 CO 0.06 -0.43 0.64 0.00 -1.51 0.00 0.00 177.39 176.15 1ha8 h ALA 29 N -0.59 -0.71 -2.96 -1.18 0.00 -1.70 -3.19 119.26 108.92 1ha8 h ALA 29 Ca -0.02 -0.17 -0.72 0.00 0.00 0.00 0.00 54.91 54.00 1ha8 h ALA 29 Cb 0.63 0.28 -0.32 0.00 0.00 0.00 0.00 17.79 18.37 1ha8 h ALA 29 CO -0.01 -0.86 -0.36 0.20 0.00 0.00 0.00 179.25 178.21 1ha8 s GLY 30 N -2.22 2.27 -0.39 0.00 0.00 -1.26 -4.97 107.32 100.75 1ha8 s GLY 30 Ca -0.16 -2.89 0.11 0.00 0.00 0.00 0.00 44.72 41.77 1ha8 s GLY 30 CO 0.60 1.11 1.03 1.58 0.00 0.00 0.00 173.10 177.42 1ha8 n TYR 31 N 4.21 2.42 0.25 1.90 4.11 -1.21 -4.79 117.16 124.06 1ha8 n TYR 31 Ca 0.02 -3.03 0.15 0.00 -0.00 0.00 0.00 57.90 55.04 1ha8 n TYR 31 Cb 0.40 -0.22 0.46 0.00 -0.00 0.00 0.00 39.34 39.98 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 2.78 0.00 -0.03 -3.48 0.13 -1.93 -2.60 132.00 126.87 1ha8 h PRO 32 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ha8 h PRO 32 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ha8 h PRO 32 CO 0.70 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1ha8 n ALA 33 N -2.10 2.43 0.27 -0.56 0.00 -1.26 -4.84 120.51 114.45 1ha8 n ALA 33 Ca 0.02 -0.61 0.11 0.00 0.00 0.00 0.00 53.44 52.95 1ha8 n ALA 33 Cb 0.41 -0.16 0.73 0.00 0.00 0.00 0.00 19.45 20.43 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 0.89 0.00 1.81 0.00 0.00 -1.81 -0.67 103.07 103.29 1ha8 h GLY 34 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ha8 h GLY 34 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.62 1ha8 h SER 36 N 0.00 0.00 -1.90 0.00 4.64 -1.51 -3.42 113.55 111.35 1ha8 h SER 36 Ca 0.03 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.67 1ha8 h SER 36 Cb 0.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.12 1ha8 h SER 36 CO -0.00 0.35 1.27 0.20 -0.87 0.00 0.00 176.83 177.77 1ha8 s ASN 37 N -6.36 6.74 0.53 4.97 -0.87 -0.37 -4.89 114.94 114.69 1ha8 s ASN 37 Ca 0.04 -2.22 0.34 0.00 -1.57 0.00 0.00 52.86 49.44 1ha8 s ASN 37 Cb 0.07 -2.45 1.49 0.00 -0.02 0.00 0.00 41.25 40.34 1ha8 s ASN 37 CO 0.71 -1.08 1.82 -1.28 -2.57 0.00 0.00 177.10 174.69 1ha8 h SER 38 N 8.43 0.05 -0.37 -1.22 0.87 -1.81 0.45 113.55 119.96 1ha8 h SER 38 Ca 0.24 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1ha8 h SER 38 Cb 0.96 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1ha8 h SER 38 CO 1.25 0.01 0.20 -0.78 -0.53 0.00 0.00 176.83 176.98 1ha8 h ASP 39 N 0.05 0.50 0.22 6.23 3.58 -1.92 -2.83 116.42 122.24 1ha8 h ASP 39 Ca 0.54 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.90 1ha8 h ASP 39 Cb 2.08 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 43.00 1ha8 h ASP 39 CO -0.04 0.42 -1.84 0.00 -2.88 0.00 0.00 179.24 174.90 1ha8 h THR 41 N 0.00 0.53 -0.29 0.00 2.02 -0.50 -0.18 112.91 114.49 1ha8 h THR 41 Ca -0.08 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1ha8 h THR 41 Cb 1.20 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1ha8 h THR 41 CO 0.01 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 1ha8 h ALA 42 N -0.17 1.44 0.39 6.16 0.00 -1.85 0.29 119.26 125.51 1ha8 h ALA 42 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ha8 h ALA 42 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ha8 h ALA 42 CO 0.11 0.40 -0.30 0.35 0.00 0.00 0.00 179.25 179.81 1ha8 h PHE 43 N 0.44 -0.79 -0.13 0.00 3.04 -1.81 -2.05 116.94 115.64 1ha8 h PHE 43 Ca 0.10 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 1ha8 h PHE 43 Cb 0.31 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1ha8 h PHE 43 CO 0.01 -0.44 -0.51 -0.07 -2.02 0.00 0.00 178.31 175.28 1ha8 h LEU 44 N -0.68 0.37 -0.83 0.59 3.38 0.08 0.19 115.31 118.40 1ha8 h LEU 44 Ca -0.03 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 57.92 1ha8 h LEU 44 Cb 0.59 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1ha8 h LEU 44 CO -0.00 0.82 0.36 0.28 0.09 0.00 0.00 178.44 179.99 1ha8 h SER 45 N 0.27 0.36 -0.00 -0.43 0.02 -0.50 0.21 113.55 113.47 1ha8 h SER 45 Ca 0.01 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1ha8 h SER 45 Cb 0.99 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.62 1ha8 h SER 45 CO 0.08 0.10 -0.35 1.56 -1.14 0.00 0.00 176.83 177.09 1ha8 h GLN 46 N 0.48 0.25 0.06 3.45 4.20 -0.54 -2.92 115.11 120.08 1ha8 h GLN 46 Ca 0.47 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1ha8 h GLN 46 Cb 0.76 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1ha8 h GLN 46 CO -0.43 0.97 -0.03 0.00 -0.67 0.00 0.00 178.83 178.67 1ha8 h TYR 48 N -0.19 0.17 0.00 0.00 0.05 -0.88 -3.48 116.97 112.64 1ha8 h TYR 48 Ca -0.01 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1ha8 h TYR 48 Cb 0.06 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1ha8 h TYR 48 CO 0.07 1.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.68 1ha8 n GLY 49 N 1.39 0.61 1.18 3.88 0.00 -0.45 -4.81 105.19 107.00 1ha8 n GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.19 -0.36 3.41 -0.02 0.00 -1.04 -4.65 105.19 101.35 1ha8 n GLY 50 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32