#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 0.10 1.61 4.11 -1.94 -1.58 114.58 117.67 1ha8 h GLU 2 Ca 0.00 -0.17 -0.29 0.00 0.07 0.00 0.00 59.36 58.97 1ha8 h GLU 2 Cb 0.00 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.16 1ha8 h GLU 2 CO 0.00 0.73 -1.19 0.00 0.07 0.00 0.00 179.01 178.62 1ha8 h GLU 4 N 0.27 0.68 -0.13 0.00 5.08 -1.58 -1.72 114.58 117.18 1ha8 h GLU 4 Ca -0.18 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1ha8 h GLU 4 Cb 1.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1ha8 h GLU 4 CO 0.23 0.45 -0.28 0.37 -1.00 0.00 0.00 179.01 178.78 1ha8 h GLN 5 N 0.70 0.23 -0.12 2.33 5.75 -1.03 0.11 115.11 123.08 1ha8 h GLN 5 Ca 0.23 -0.08 -0.16 0.00 -0.15 0.00 0.00 58.65 58.49 1ha8 h GLN 5 Cb 0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1ha8 h GLN 5 CO -0.10 0.50 -0.59 0.00 -2.65 0.00 0.00 178.83 176.00 1ha8 h PHE 7 N 0.30 1.17 0.00 0.00 -1.00 -0.49 0.12 116.94 117.05 1ha8 h PHE 7 Ca -0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ha8 h PHE 7 Cb 1.11 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 40.29 1ha8 h PHE 7 CO 0.04 0.79 0.00 0.43 -1.61 0.00 0.00 178.31 177.95 1ha8 n SER 8 N -4.39 0.00 -1.78 2.17 7.64 -0.05 -1.50 113.62 115.70 1ha8 n SER 8 Ca 0.09 -0.36 -0.19 0.00 1.01 0.00 0.00 58.87 59.42 1ha8 n SER 8 Cb 0.07 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1ha8 n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ha8 n ASP 9 N -0.93 4.63 -0.39 6.43 -0.08 0.22 -4.93 116.55 121.51 1ha8 n ASP 9 Ca 0.06 -3.78 -0.05 0.00 -1.51 0.00 0.00 54.79 49.51 1ha8 n ASP 9 Cb 0.03 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 42.95 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 -0.86 0.63 3.63 0.27 0.00 -0.57 -4.97 105.19 103.33 1ha8 n GLY 10 Ca 0.43 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1ha8 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha8 n GLY 11 N -0.65 0.05 0.00 -0.02 0.00 0.02 -4.96 105.19 99.63 1ha8 n GLY 11 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ha8 n GLY 11 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ha8 n ASP 12 N 0.90 0.00 0.12 1.61 5.68 -1.26 -4.53 116.55 119.07 1ha8 n ASP 12 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1ha8 n ASP 12 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 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 1.12 -0.18 0.00 2.02 -2.00 -2.75 112.91 111.12 1ha8 h THR 14 Ca 0.00 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 1ha8 h THR 14 Cb 0.00 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1ha8 h THR 14 CO 0.00 0.12 0.14 1.07 0.37 0.00 0.00 175.52 177.22 1ha8 n THR 15 N -4.89 1.92 0.00 3.16 5.66 -1.26 -3.08 114.28 115.80 1ha8 n THR 15 Ca -0.04 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1ha8 n THR 15 Cb 0.09 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 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 0.25 -0.19 0.00 3.57 -1.41 -3.34 116.94 115.82 1ha8 h PHE 17 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1ha8 h PHE 17 Cb 0.00 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1ha8 h PHE 17 CO 0.00 0.07 -0.07 -1.71 -2.23 0.00 0.00 178.31 174.37 1ha8 n ASN 18 N -4.40 -5.80 -3.22 0.41 2.85 -1.26 -1.16 115.26 102.68 1ha8 n ASN 18 Ca 0.16 0.10 -0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1ha8 n ASN 18 Cb 0.74 -3.69 0.06 0.00 1.24 0.00 0.00 39.78 38.13 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 -1.00 -6.78 0.00 1.20 2.85 -1.26 -4.31 115.26 105.96 1ha8 n ASN 19 Ca -0.04 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.81 1ha8 n ASN 19 Cb 0.53 -5.21 0.00 0.00 1.24 0.00 0.00 39.78 36.34 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 -1.30 0.76 0.00 8.20 0.00 -0.31 -4.84 105.19 107.70 1ha8 n GLY 20 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.21 0.32 -1.28 2.61 -2.24 -1.18 -4.73 114.28 105.57 1ha8 n THR 21 Ca 0.00 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 1ha8 n THR 21 Cb 0.00 0.92 0.15 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.16 -1.96 0.08 3.38 0.00 -0.60 -4.93 105.19 101.01 1ha8 n GLY 22 Ca 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.18 -5.31 1.61 0.13 -1.86 -3.26 132.00 123.14 1ha8 h PRO 23 Ca -0.28 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 1ha8 h PRO 23 Cb 0.81 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1ha8 h PRO 23 CO 0.19 -0.12 1.70 0.00 -0.23 0.00 0.00 178.00 179.54 1ha8 n ALA 25 N 11.21 3.00 0.51 0.00 0.00 -1.23 -4.22 120.51 129.78 1ha8 n ALA 25 Ca 0.47 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.01 1ha8 n ALA 25 Cb 0.45 0.32 0.40 0.00 0.00 0.00 0.00 19.45 20.61 1ha8 n ALA 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ha8 n ASN 26 N -3.29 0.25 0.00 0.00 6.94 -1.26 -0.89 115.26 117.00 1ha8 n ASN 26 Ca 0.00 0.56 0.03 0.00 -0.02 0.00 0.00 54.58 55.14 1ha8 n ASN 26 Cb 0.18 -0.61 0.16 0.00 -2.36 0.00 0.00 39.78 37.14 1ha8 n ASN 26 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ha8 n LEU 28 N -0.66 0.18 0.00 0.00 7.99 -0.07 -4.62 117.00 119.82 1ha8 n LEU 28 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1ha8 n LEU 28 Cb 0.02 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1ha8 n LEU 28 CO 0.03 -0.50 0.29 0.00 -1.51 0.00 0.00 177.39 175.70 1ha8 n ALA 29 N -2.68 -0.24 -2.29 -1.18 0.00 -1.25 -3.58 120.51 109.29 1ha8 n ALA 29 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ha8 n ALA 29 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.06 3.95 2.54 0.00 0.00 -1.26 -4.78 105.19 105.70 1ha8 n GLY 30 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 5.88 3.33 0.64 1.61 4.11 -1.23 -4.74 117.16 126.75 1ha8 n TYR 31 Ca 0.45 -2.96 0.12 0.00 -0.00 0.00 0.00 57.90 55.51 1ha8 n TYR 31 Cb 0.40 -0.28 0.46 0.00 -0.00 0.00 0.00 39.34 39.92 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 0.15 -0.02 -3.48 -0.04 -1.26 -1.47 135.00 128.38 1ha8 n PRO 32 Ca 0.42 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 64.13 1ha8 n PRO 32 Cb 0.60 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.68 2.43 -0.28 0.55 0.00 -1.26 -4.83 120.51 115.43 1ha8 n ALA 33 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ha8 n ALA 33 Cb 0.32 -0.24 0.13 0.00 0.00 0.00 0.00 19.45 19.67 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 1.33 1.20 2.00 0.00 0.00 -1.59 0.10 103.07 106.10 1ha8 h GLY 34 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ha8 h GLY 34 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.76 1ha8 n SER 36 N -2.68 0.38 -4.56 0.00 2.88 0.28 -4.75 113.62 105.17 1ha8 n SER 36 Ca -0.02 0.11 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 1ha8 n SER 36 Cb 0.10 1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 1ha8 n SER 36 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ha8 s ASN 37 N -4.82 6.25 0.59 -3.46 3.04 -0.45 -4.87 114.94 111.22 1ha8 s ASN 37 Ca -0.04 -1.26 0.30 0.00 0.04 0.00 0.00 52.86 51.90 1ha8 s ASN 37 Cb 0.12 -2.57 1.65 0.00 -1.54 0.00 0.00 41.25 38.92 1ha8 s ASN 37 CO 0.86 -1.73 1.92 0.28 -3.04 0.00 0.00 177.10 175.38 1ha8 h SER 38 N 10.10 0.00 -0.68 -4.21 0.02 -1.85 0.26 113.55 117.19 1ha8 h SER 38 Ca 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1ha8 h SER 38 Cb 1.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1ha8 h SER 38 CO 1.39 0.00 0.11 -0.78 -1.14 0.00 0.00 176.83 176.41 1ha8 h ASP 39 N 0.00 1.08 0.00 3.07 3.58 -1.92 -3.34 116.42 118.90 1ha8 h ASP 39 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1ha8 h ASP 39 Cb 0.43 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1ha8 h ASP 39 CO 0.00 1.07 -1.72 0.00 -2.88 0.00 0.00 179.24 175.70 1ha8 h THR 41 N 0.00 0.26 0.00 0.00 2.02 -0.74 -0.18 112.91 114.27 1ha8 h THR 41 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1ha8 h THR 41 Cb 0.83 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ha8 h THR 41 CO 0.00 0.00 -0.57 0.00 0.37 0.00 0.00 175.52 175.32 1ha8 h ALA 42 N 0.45 1.00 0.75 6.16 0.00 -1.82 0.19 119.26 126.00 1ha8 h ALA 42 Ca 0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1ha8 h ALA 42 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ha8 h ALA 42 CO -0.39 0.71 -0.36 0.35 0.00 0.00 0.00 179.25 179.56 1ha8 h PHE 43 N 0.00 -0.94 -0.31 0.00 3.04 -1.72 -3.13 116.94 113.88 1ha8 h PHE 43 Ca -0.01 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1ha8 h PHE 43 Cb 1.05 0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.85 1ha8 h PHE 43 CO 0.00 -0.58 -0.10 -0.07 -2.02 0.00 0.00 178.31 175.54 1ha8 h LEU 44 N -1.02 0.50 -1.92 0.59 3.38 -0.46 0.25 115.31 116.62 1ha8 h LEU 44 Ca -0.10 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1ha8 h LEU 44 Cb 0.78 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ha8 h LEU 44 CO 0.17 0.64 0.45 0.28 0.09 0.00 0.00 178.44 180.07 1ha8 h SER 45 N 0.48 0.00 0.00 -0.43 0.02 -0.69 0.16 113.55 113.10 1ha8 h SER 45 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ha8 h SER 45 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1ha8 h SER 45 CO 0.03 0.00 -0.90 0.00 -1.14 0.00 0.00 176.83 174.81 1ha8 n GLN 46 N -3.50 0.48 0.03 3.45 6.02 -0.21 -3.22 117.38 120.42 1ha8 n GLN 46 Ca 0.06 0.19 0.06 0.00 -0.01 0.00 0.00 57.00 57.30 1ha8 n GLN 46 Cb 0.60 -1.34 0.26 0.00 1.02 0.00 0.00 30.24 30.79 1ha8 n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ha8 n TYR 48 N -1.64 0.00 -0.42 0.00 4.01 0.50 -5.00 117.16 114.61 1ha8 n TYR 48 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1ha8 n TYR 48 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.46 1.88 0.03 2.72 0.00 -0.76 -4.63 105.19 104.90 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 0.48 0.00 -0.02 0.00 -1.08 -4.77 105.19 97.81 1ha8 n GLY 50 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32