#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 0.05 -0.12 1.61 9.09 -1.96 -1.44 114.58 121.81 1ha8 h GLU 2 Ca 0.00 -0.02 -0.23 0.00 0.05 0.00 0.00 59.36 59.15 1ha8 h GLU 2 Cb 0.00 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 1ha8 h GLU 2 CO 0.00 0.43 -0.84 0.00 0.05 0.00 0.00 179.01 178.65 1ha8 h GLU 4 N 0.51 0.81 -0.96 0.00 5.08 -1.56 -1.27 114.58 117.18 1ha8 h GLU 4 Ca -0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ha8 h GLU 4 Cb 1.48 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1ha8 h GLU 4 CO 0.17 0.54 0.60 0.37 -1.00 0.00 0.00 179.01 179.69 1ha8 h GLN 5 N 0.83 1.29 -0.12 2.33 5.75 -0.68 0.66 115.11 125.18 1ha8 h GLN 5 Ca 0.31 -0.10 -0.19 0.00 -0.15 0.00 0.00 58.65 58.52 1ha8 h GLN 5 Cb 0.11 -0.28 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 1ha8 h GLN 5 CO -0.15 0.89 -0.70 0.00 -2.65 0.00 0.00 178.83 176.22 1ha8 h PHE 7 N 0.36 1.12 -0.62 0.00 -1.00 -0.70 -2.11 116.94 114.00 1ha8 h PHE 7 Ca -0.03 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.78 1ha8 h PHE 7 Cb 1.28 -0.35 -0.04 0.00 3.61 0.00 0.00 35.95 40.45 1ha8 h PHE 7 CO 0.05 0.80 0.41 1.03 -1.61 0.00 0.00 178.31 179.00 1ha8 h SER 8 N 1.12 0.50 -0.16 2.17 0.87 -0.77 -0.55 113.55 116.73 1ha8 h SER 8 Ca 0.28 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1ha8 h SER 8 Cb 0.08 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 1ha8 h SER 8 CO -0.04 0.32 0.13 -0.67 -0.53 0.00 0.00 176.83 176.05 1ha8 n ASP 9 N -4.48 5.38 -2.22 6.23 -0.08 -0.95 -4.80 116.55 115.63 1ha8 n ASP 9 Ca 0.09 -2.58 -0.13 0.00 -1.51 0.00 0.00 54.79 50.67 1ha8 n ASP 9 Cb 0.26 -1.03 -0.02 0.00 2.34 0.00 0.00 41.12 42.68 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 1.00 -0.15 3.85 0.27 0.00 -0.23 -4.95 105.19 104.98 1ha8 n GLY 10 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 2.14 0.00 -0.02 0.00 -0.83 -5.00 107.32 101.56 1ha8 s GLY 11 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1ha8 s GLY 11 CO 0.00 0.29 0.00 2.09 0.00 0.00 0.00 173.10 175.48 1ha8 n ASP 12 N -1.06 0.00 0.06 1.64 5.68 -1.26 -4.40 116.55 117.21 1ha8 n ASP 12 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1ha8 n ASP 12 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.44 -0.41 0.00 2.02 -1.98 0.81 112.91 113.78 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 0.44 -0.12 0.00 -1.74 0.00 0.00 68.15 66.73 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 -5.37 2.40 0.00 3.16 5.66 -1.26 -2.28 114.28 116.59 1ha8 n THR 15 Ca -0.06 -1.24 0.00 0.00 -3.05 0.00 0.00 64.05 59.69 1ha8 n THR 15 Cb 0.28 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 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 1.15 -3.24 0.00 3.57 -0.52 -3.29 116.94 114.60 1ha8 h PHE 17 Ca 0.00 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 1ha8 h PHE 17 Cb 0.00 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 1ha8 h PHE 17 CO 0.00 0.72 -0.39 -1.71 -2.23 0.00 0.00 178.31 174.69 1ha8 n ASN 18 N -4.40 -4.67 -3.74 0.41 5.15 -0.96 -1.03 115.26 106.02 1ha8 n ASN 18 Ca 0.11 0.14 -0.31 0.00 -0.60 0.00 0.00 54.58 53.92 1ha8 n ASN 18 Cb 0.03 -3.96 0.03 0.00 -0.53 0.00 0.00 39.78 35.35 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 -1.77 -5.21 0.00 1.20 5.15 -1.26 -3.98 115.26 109.40 1ha8 n ASN 19 Ca -0.18 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 1ha8 n ASN 19 Cb 0.63 -2.85 0.00 0.00 -0.53 0.00 0.00 39.78 37.03 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 -1.78 0.82 0.01 8.20 0.00 -0.19 -4.81 105.19 107.44 1ha8 n GLY 20 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.00 -1.05 2.61 -1.04 -1.22 -4.72 114.28 106.85 1ha8 n THR 21 Ca 0.00 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.05 61.43 1ha8 n THR 21 Cb 0.00 1.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.59 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 0.70 -1.77 0.25 3.41 0.00 -1.06 -4.98 105.19 101.75 1ha8 n GLY 22 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.55 -4.61 1.61 0.13 -1.87 -3.26 132.00 123.45 1ha8 h PRO 23 Ca -0.14 0.04 -0.70 0.00 -0.87 0.00 0.00 66.00 64.33 1ha8 h PRO 23 Cb 0.39 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1ha8 h PRO 23 CO 0.09 -0.28 2.70 0.00 -0.23 0.00 0.00 178.00 180.29 1ha8 n ALA 25 N 6.70 3.00 0.29 0.00 0.00 -1.23 -4.08 120.51 125.20 1ha8 n ALA 25 Ca 0.50 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.09 1ha8 n ALA 25 Cb 0.41 0.40 0.89 0.00 0.00 0.00 0.00 19.45 21.15 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 0.00 0.01 0.00 7.08 -1.83 -1.12 115.58 119.72 1ha8 h ASN 26 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ha8 h ASN 26 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.87 1ha8 h ASN 26 CO 0.00 0.04 0.00 0.00 -2.08 0.00 0.00 177.43 175.39 1ha8 n LEU 28 N -1.03 1.23 0.12 0.00 7.99 -0.42 -4.55 117.00 120.34 1ha8 n LEU 28 Ca 0.05 0.21 -0.05 0.00 -0.01 0.00 0.00 56.01 56.20 1ha8 n LEU 28 Cb 0.03 -0.63 -0.02 0.00 -0.11 0.00 0.00 43.42 42.68 1ha8 n LEU 28 CO 0.04 -0.37 0.30 0.00 -1.51 0.00 0.00 177.39 175.84 1ha8 h ALA 29 N -1.26 -0.66 -0.69 -1.18 0.00 -1.69 -3.32 119.26 110.46 1ha8 h ALA 29 Ca 0.00 -0.07 -0.74 0.00 0.00 0.00 0.00 54.91 54.10 1ha8 h ALA 29 Cb 0.61 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 1ha8 h ALA 29 CO 0.00 -0.64 2.33 0.41 0.00 0.00 0.00 179.25 181.35 1ha8 n GLY 30 N 0.08 4.38 2.53 0.00 0.00 -1.21 -4.77 105.19 106.20 1ha8 n GLY 30 Ca -0.04 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 5.04 2.86 -0.05 1.61 4.11 -1.25 -4.59 117.16 124.89 1ha8 n TYR 31 Ca 0.44 -3.06 -0.15 0.00 -0.00 0.00 0.00 57.90 55.13 1ha8 n TYR 31 Cb 0.38 -0.16 -0.07 0.00 -0.00 0.00 0.00 39.34 39.49 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 2.69 0.58 -0.04 -3.48 0.13 -1.92 -2.40 132.00 127.55 1ha8 h PRO 32 Ca 0.20 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1ha8 h PRO 32 Cb 0.98 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ha8 h PRO 32 CO 0.76 1.01 0.00 0.00 -0.23 0.00 0.00 178.00 179.55 1ha8 n ALA 33 N -2.52 2.59 -0.33 -0.56 0.00 -1.26 -4.50 120.51 113.93 1ha8 n ALA 33 Ca -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.02 1ha8 n ALA 33 Cb 0.54 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 4.99 1.35 2.00 0.00 0.00 -1.75 0.83 103.07 110.50 1ha8 h GLY 34 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1ha8 h GLY 34 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.84 1ha8 n SER 36 N -2.82 0.05 -4.56 0.00 2.88 0.17 -4.78 113.62 104.56 1ha8 n SER 36 Ca -0.02 0.02 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1ha8 n SER 36 Cb 0.07 1.80 -0.03 0.00 -0.75 0.00 0.00 64.21 65.29 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 -4.68 6.12 0.48 -3.46 -0.87 -0.53 -4.85 114.94 107.15 1ha8 s ASN 37 Ca -0.08 -0.93 0.24 0.00 -1.57 0.00 0.00 52.86 50.52 1ha8 s ASN 37 Cb 0.13 -2.56 1.28 0.00 -0.02 0.00 0.00 41.25 40.08 1ha8 s ASN 37 CO 0.89 -1.85 1.91 -1.28 -2.57 0.00 0.00 177.10 174.21 1ha8 h SER 38 N 10.48 0.18 -0.36 -1.22 0.87 -1.86 0.25 113.55 121.89 1ha8 h SER 38 Ca 0.02 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1ha8 h SER 38 Cb 1.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1ha8 h SER 38 CO 1.34 0.08 0.12 -0.78 -0.53 0.00 0.00 176.83 177.06 1ha8 h ASP 39 N 0.18 0.57 0.00 6.23 3.58 -1.91 -3.06 116.42 122.01 1ha8 h ASP 39 Ca 0.39 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1ha8 h ASP 39 Cb 1.27 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ha8 h ASP 39 CO -0.07 0.56 -1.12 0.00 -2.88 0.00 0.00 179.24 175.72 1ha8 h THR 41 N 0.00 0.56 0.00 0.00 2.02 -0.55 0.21 112.91 115.15 1ha8 h THR 41 Ca 0.00 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1ha8 h THR 41 Cb 0.56 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1ha8 h THR 41 CO 0.00 0.01 -0.40 0.00 0.37 0.00 0.00 175.52 175.50 1ha8 h ALA 42 N -0.07 0.95 0.89 6.16 0.00 -1.83 0.25 119.26 125.60 1ha8 h ALA 42 Ca -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1ha8 h ALA 42 Cb 0.47 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ha8 h ALA 42 CO 0.10 0.50 -0.45 0.35 0.00 0.00 0.00 179.25 179.75 1ha8 h PHE 43 N 0.00 -1.17 0.00 0.00 3.04 -1.79 -3.14 116.94 113.88 1ha8 h PHE 43 Ca -0.00 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1ha8 h PHE 43 Cb 0.96 0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 1ha8 h PHE 43 CO 0.00 -0.71 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.32 1ha8 h LEU 44 N -1.22 0.00 -2.10 0.59 3.38 -0.46 0.49 115.31 115.98 1ha8 h LEU 44 Ca -0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.92 1ha8 h LEU 44 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ha8 h LEU 44 CO 0.18 0.19 0.22 0.28 0.09 0.00 0.00 178.44 179.40 1ha8 h SER 45 N 0.00 0.00 0.00 -0.43 0.02 -0.57 0.19 113.55 112.76 1ha8 h SER 45 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1ha8 h SER 45 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1ha8 h SER 45 CO 0.02 0.00 -0.78 1.56 -1.14 0.00 0.00 176.83 176.49 1ha8 h GLN 46 N 0.00 0.00 0.00 3.45 4.20 -0.94 -3.02 115.11 118.80 1ha8 h GLN 46 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ha8 h GLN 46 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ha8 h GLN 46 CO -0.00 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 1ha8 n TYR 48 N -1.25 0.00 -0.02 0.00 4.02 0.62 -5.01 117.16 115.52 1ha8 n TYR 48 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1ha8 n TYR 48 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.73 0.89 0.98 2.72 0.00 -0.90 -4.70 105.19 104.91 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 -2.00 -2.67 0.00 -0.02 0.00 -1.01 -4.71 105.19 94.78 1ha8 n GLY 50 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32