#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 0.00 0.21 1.61 4.11 -1.96 -3.35 114.58 115.20 1ha8 h GLU 2 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1ha8 h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ha8 h GLU 2 CO 0.00 0.78 -0.10 0.00 0.07 0.00 0.00 179.01 179.76 1ha8 h GLU 4 N -0.69 0.22 0.00 0.00 5.08 -1.75 0.08 114.58 117.52 1ha8 h GLU 4 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ha8 h GLU 4 Cb 0.48 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ha8 h GLU 4 CO 0.05 0.19 0.00 0.37 -1.00 0.00 0.00 179.01 178.61 1ha8 h GLN 5 N 0.22 0.00 0.02 2.33 5.75 -1.66 0.18 115.11 121.95 1ha8 h GLN 5 Ca 0.06 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1ha8 h GLN 5 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1ha8 h GLN 5 CO -0.01 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.03 1ha8 h PHE 7 N -0.93 0.60 0.00 0.00 3.57 -0.71 -0.20 116.94 119.27 1ha8 h PHE 7 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ha8 h PHE 7 Cb 1.09 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1ha8 h PHE 7 CO 0.26 0.28 -0.07 1.03 -2.23 0.00 0.00 178.31 177.58 1ha8 h SER 8 N 0.56 0.00 -0.75 0.41 0.87 -0.81 -1.58 113.55 112.25 1ha8 h SER 8 Ca 0.32 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.39 1ha8 h SER 8 Cb 0.50 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.24 1ha8 h SER 8 CO -0.11 0.07 0.62 -0.67 -0.53 0.00 0.00 176.83 176.22 1ha8 n ASP 9 N -3.52 6.43 -0.87 6.23 -0.08 -0.09 -4.86 116.55 119.78 1ha8 n ASP 9 Ca -0.02 -3.39 -0.10 0.00 -1.51 0.00 0.00 54.79 49.77 1ha8 n ASP 9 Cb 0.20 -0.97 -0.03 0.00 2.34 0.00 0.00 41.12 42.67 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 -0.39 0.65 3.74 0.27 0.00 -0.61 -5.00 105.19 103.85 1ha8 n GLY 10 Ca 0.47 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.77 2.48 0.10 -0.02 0.00 -1.09 -4.99 107.32 101.03 1ha8 s GLY 11 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1ha8 s GLY 11 CO 0.00 1.28 0.00 1.34 0.00 0.00 0.00 173.10 175.72 1ha8 n ASP 12 N -2.22 0.85 0.22 1.64 -0.08 -1.26 -4.73 116.55 110.98 1ha8 n ASP 12 Ca 0.13 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1ha8 n ASP 12 Cb 0.50 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ha8 h THR 14 N 0.00 0.96 -0.30 0.00 2.02 -1.98 -1.61 112.91 112.01 1ha8 h THR 14 Ca 0.00 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 1ha8 h THR 14 Cb 0.00 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1ha8 h THR 14 CO 0.00 0.07 0.22 1.07 0.37 0.00 0.00 175.52 177.25 1ha8 n THR 15 N -4.93 1.95 -1.80 3.16 5.66 -1.26 -2.55 114.28 114.50 1ha8 n THR 15 Ca 0.02 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1ha8 n THR 15 Cb 0.10 -1.03 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 0.22 -6.96 0.00 3.57 -1.03 -0.84 116.94 111.89 1ha8 h PHE 17 Ca 0.00 -0.16 -0.60 0.00 3.53 0.00 0.00 57.97 60.75 1ha8 h PHE 17 Cb 0.48 -0.01 -0.16 0.00 2.79 0.00 0.00 35.95 39.05 1ha8 h PHE 17 CO 0.00 1.19 -0.96 -1.71 -2.23 0.00 0.00 178.31 174.60 1ha8 n ASN 18 N -3.32 0.21 -3.37 0.41 2.85 -1.25 -0.96 115.26 109.82 1ha8 n ASN 18 Ca -0.13 -1.23 -0.11 0.00 -0.11 0.00 0.00 54.58 53.01 1ha8 n ASN 18 Cb 1.02 -1.87 -0.01 0.00 1.24 0.00 0.00 39.78 40.16 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 -2.84 -0.35 0.00 1.20 5.15 -1.26 -1.12 115.26 116.04 1ha8 n ASN 19 Ca -0.30 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 1ha8 n ASN 19 Cb 0.68 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 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 -1.36 0.78 2.61 8.20 0.00 -0.13 -4.95 105.19 110.34 1ha8 n GLY 20 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.20 0.99 -4.14 2.61 -2.24 -0.28 -4.77 114.28 104.26 1ha8 n THR 21 Ca 0.00 -3.34 -0.16 0.00 -2.27 0.00 0.00 64.05 58.28 1ha8 n THR 21 Cb 0.00 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ha8 s GLY 22 N -3.09 1.75 0.25 3.38 0.00 -1.16 -4.72 107.32 103.74 1ha8 s GLY 22 Ca 0.30 -1.68 0.07 0.00 0.00 0.00 0.00 44.72 43.40 1ha8 s GLY 22 CO 0.01 -1.12 1.58 -0.56 0.00 0.00 0.00 173.10 173.01 1ha8 h PRO 23 N 2.09 0.13 -2.54 2.90 0.13 -1.78 -1.30 132.00 131.63 1ha8 h PRO 23 Ca -0.27 -0.09 -0.66 0.00 -0.87 0.00 0.00 66.00 64.10 1ha8 h PRO 23 Cb 1.24 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 32.00 1ha8 h PRO 23 CO 0.38 0.70 -0.20 0.00 -0.23 0.00 0.00 178.00 178.65 1ha8 n ALA 25 N 1.18 1.13 0.21 0.00 0.00 -0.49 -4.01 120.51 118.53 1ha8 n ALA 25 Ca 0.28 -1.00 0.09 0.00 0.00 0.00 0.00 53.44 52.81 1ha8 n ALA 25 Cb 0.38 0.11 0.63 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.98 0.04 0.03 0.00 7.08 -1.85 -1.04 115.58 118.86 1ha8 h ASN 26 Ca -0.47 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 1ha8 h ASN 26 Cb 1.40 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 1ha8 h ASN 26 CO -0.28 0.03 0.00 0.00 -2.08 0.00 0.00 177.43 175.10 1ha8 n LEU 28 N -1.04 1.46 0.08 0.00 7.99 -0.40 -4.61 117.00 120.49 1ha8 n LEU 28 Ca 0.09 0.23 0.10 0.00 -0.01 0.00 0.00 56.01 56.42 1ha8 n LEU 28 Cb 0.05 -0.53 0.43 0.00 -0.11 0.00 0.00 43.42 43.26 1ha8 n LEU 28 CO 0.07 -0.36 0.82 0.00 -1.51 0.00 0.00 177.39 176.42 1ha8 n ALA 29 N -3.95 1.72 -3.17 -1.18 0.00 -1.21 -3.56 120.51 109.15 1ha8 n ALA 29 Ca -0.11 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1ha8 n ALA 29 Cb 0.35 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1ha8 n ALA 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ha8 s GLY 30 N -3.36 -1.27 -0.40 0.00 0.00 -1.26 -5.10 107.32 95.93 1ha8 s GLY 30 Ca 0.06 0.63 0.10 0.00 0.00 0.00 0.00 44.72 45.51 1ha8 s GLY 30 CO 0.37 3.70 1.04 1.58 0.00 0.00 0.00 173.10 179.79 1ha8 n TYR 31 N 4.83 2.54 0.09 1.90 4.11 -1.23 -4.82 117.16 124.58 1ha8 n TYR 31 Ca 0.08 -3.06 -0.07 0.00 -0.00 0.00 0.00 57.90 54.86 1ha8 n TYR 31 Cb 0.56 -0.21 0.06 0.00 -0.00 0.00 0.00 39.34 39.74 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 2.76 0.21 -0.14 -3.48 0.13 -1.94 -2.40 132.00 127.14 1ha8 h PRO 32 Ca 0.14 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ha8 h PRO 32 Cb 1.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ha8 h PRO 32 CO 0.71 0.85 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 1ha8 n ALA 33 N -2.46 2.47 0.22 -0.56 0.00 -1.26 -4.57 120.51 114.34 1ha8 n ALA 33 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 53.44 52.74 1ha8 n ALA 33 Cb 0.71 -0.89 0.49 0.00 0.00 0.00 0.00 19.45 19.77 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 4.70 0.00 2.00 0.00 0.00 -1.77 -0.59 103.07 107.41 1ha8 h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ha8 h GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ha8 n SER 36 N -2.43 2.69 -4.35 0.00 7.64 -0.25 -4.70 113.62 112.22 1ha8 n SER 36 Ca -0.00 -1.81 -0.46 0.00 1.01 0.00 0.00 58.87 57.60 1ha8 n SER 36 Cb 0.12 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1ha8 n SER 36 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ha8 s ASN 37 N -1.50 6.63 0.52 6.43 2.47 -0.31 -4.93 114.94 124.25 1ha8 s ASN 37 Ca 0.24 -2.40 0.30 0.00 0.42 0.00 0.00 52.86 51.42 1ha8 s ASN 37 Cb 0.16 -2.24 1.43 0.00 -1.45 0.00 0.00 41.25 39.15 1ha8 s ASN 37 CO 0.24 -0.72 1.89 0.28 -3.72 0.00 0.00 177.10 175.07 1ha8 h SER 38 N 8.17 0.05 -0.60 -4.21 0.02 -1.84 0.23 113.55 115.37 1ha8 h SER 38 Ca 0.03 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.13 1ha8 h SER 38 Cb 1.05 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1ha8 h SER 38 CO 0.86 0.02 0.42 -0.78 -1.14 0.00 0.00 176.83 176.21 1ha8 h ASP 39 N 0.05 0.17 -0.01 3.07 1.82 -1.91 -2.10 116.42 117.51 1ha8 h ASP 39 Ca 0.42 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 1ha8 h ASP 39 Cb 1.61 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1ha8 h ASP 39 CO -0.03 0.09 -0.14 0.00 -1.61 0.00 0.00 179.24 177.55 1ha8 h THR 41 N 1.27 1.32 -0.40 0.00 2.02 -0.23 0.02 112.91 116.92 1ha8 h THR 41 Ca 0.00 -2.07 -0.05 0.00 0.77 0.00 0.00 66.41 65.06 1ha8 h THR 41 Cb 0.34 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1ha8 h THR 41 CO 0.00 0.64 0.07 0.00 0.37 0.00 0.00 175.52 176.59 1ha8 h ALA 42 N 0.44 0.52 -0.14 6.16 0.00 -1.87 0.20 119.26 124.56 1ha8 h ALA 42 Ca -0.08 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1ha8 h ALA 42 Cb 1.46 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1ha8 h ALA 42 CO 0.16 0.23 -0.40 0.35 0.00 0.00 0.00 179.25 179.59 1ha8 h PHE 43 N 0.50 -1.14 -0.00 0.00 3.04 -1.82 -1.45 116.94 116.07 1ha8 h PHE 43 Ca 0.12 0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.97 1ha8 h PHE 43 Cb 0.36 0.52 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1ha8 h PHE 43 CO 0.02 -0.46 -0.69 -0.07 -2.02 0.00 0.00 178.31 175.10 1ha8 h LEU 44 N -0.47 0.03 -0.73 0.59 3.38 -0.73 0.14 115.31 117.53 1ha8 h LEU 44 Ca 0.08 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1ha8 h LEU 44 Cb 0.61 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1ha8 h LEU 44 CO -0.40 0.71 0.37 -1.28 0.09 0.00 0.00 178.44 177.93 1ha8 h SER 45 N 0.02 0.48 0.10 -0.43 0.87 -0.38 0.15 113.55 114.37 1ha8 h SER 45 Ca -0.01 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ha8 h SER 45 Cb 1.22 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ha8 h SER 45 CO 0.09 0.27 -0.05 1.56 -0.53 0.00 0.00 176.83 178.18 1ha8 h GLN 46 N 0.62 -0.13 -0.32 2.24 4.20 -0.96 -2.51 115.11 118.25 1ha8 h GLN 46 Ca 0.36 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 1ha8 h GLN 46 Cb 0.38 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1ha8 h GLN 46 CO -0.27 0.36 0.06 0.00 -0.67 0.00 0.00 178.83 178.30 1ha8 n TYR 48 N -4.61 0.00 0.00 0.00 4.01 0.45 -5.03 117.16 111.98 1ha8 n TYR 48 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ha8 n TYR 48 Cb 0.21 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 1.85 0.89 0.79 2.72 0.00 -0.64 -4.97 105.19 105.82 1ha8 n GLY 49 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.70 2.77 -0.02 0.00 -1.01 -4.62 105.19 103.00 1ha8 n GLY 50 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ha8 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32