#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha8 n GLU 2 N 0.00 0.05 -0.26 1.61 0.28 -1.26 -4.53 120.64 116.53 1ha8 n GLU 2 Ca 0.00 0.02 -0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1ha8 n GLU 2 Cb 0.00 -0.59 0.05 0.00 1.43 0.00 0.00 31.44 32.33 1ha8 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ha8 h GLU 4 N 1.03 0.00 -0.26 0.00 5.08 -1.86 -0.22 114.58 118.35 1ha8 h GLU 4 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1ha8 h GLU 4 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ha8 h GLU 4 CO -0.02 0.12 -0.08 0.37 -1.00 0.00 0.00 179.01 178.41 1ha8 h GLN 5 N 0.00 0.51 -0.67 2.33 -0.00 -1.55 -0.65 115.11 115.08 1ha8 h GLN 5 Ca -0.00 -0.20 -0.08 0.00 -0.00 0.00 0.00 58.65 58.37 1ha8 h GLN 5 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.66 1ha8 h GLN 5 CO 0.02 0.73 0.09 0.00 0.00 0.00 0.00 178.83 179.67 1ha8 h PHE 7 N 1.04 0.58 -0.70 0.00 -1.00 -1.07 -1.47 116.94 114.32 1ha8 h PHE 7 Ca 0.20 0.02 0.15 0.00 2.81 0.00 0.00 57.97 61.15 1ha8 h PHE 7 Cb 0.47 -0.18 -0.11 0.00 3.61 0.00 0.00 35.95 39.74 1ha8 h PHE 7 CO 0.03 0.30 0.12 1.03 -1.61 0.00 0.00 178.31 178.19 1ha8 h SER 8 N 0.61 -0.07 -0.62 2.17 0.87 -0.02 -1.89 113.55 114.59 1ha8 h SER 8 Ca 0.25 0.15 -0.40 0.00 -1.23 0.00 0.00 61.79 60.56 1ha8 h SER 8 Cb 0.11 0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 62.11 1ha8 h SER 8 CO -0.14 -0.06 0.51 -0.67 -0.53 0.00 0.00 176.83 175.94 1ha8 n ASP 9 N -5.19 5.92 0.00 6.23 2.03 -0.73 -4.78 116.55 120.03 1ha8 n ASP 9 Ca 0.13 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1ha8 n ASP 9 Cb 0.43 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1ha8 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ha8 n GLY 10 N -0.15 0.89 3.65 0.27 0.00 -0.73 -5.03 105.19 104.09 1ha8 n GLY 10 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.20 0.11 0.00 -0.02 0.00 -0.60 -4.98 105.19 97.51 1ha8 n GLY 11 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ha8 n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ha8 n ASP 12 N 0.16 0.00 0.04 1.61 9.92 -1.26 -4.75 116.55 122.28 1ha8 n ASP 12 Ca 0.09 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.34 1ha8 n ASP 12 Cb 0.40 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1ha8 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ha8 h THR 14 N -0.06 1.26 -0.16 0.00 2.02 -1.99 -0.64 112.91 113.34 1ha8 h THR 14 Ca 0.00 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 65.87 1ha8 h THR 14 Cb 0.06 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1ha8 h THR 14 CO 0.00 0.43 0.13 1.07 0.37 0.00 0.00 175.52 177.51 1ha8 n THR 15 N -4.16 1.91 -0.09 3.16 5.66 -1.26 -2.75 114.28 116.75 1ha8 n THR 15 Ca 0.02 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 1ha8 n THR 15 Cb 0.38 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 0.18 -3.70 0.00 3.57 -0.93 -3.06 116.94 113.01 1ha8 h PHE 17 Ca 0.00 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 1ha8 h PHE 17 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1ha8 h PHE 17 CO 0.00 0.66 -0.12 -1.71 -2.23 0.00 0.00 178.31 174.91 1ha8 n ASN 18 N -3.91 -1.99 -3.50 0.41 5.15 -1.23 -0.84 115.26 109.36 1ha8 n ASN 18 Ca -0.02 0.30 -0.23 0.00 -0.60 0.00 0.00 54.58 54.03 1ha8 n ASN 18 Cb 0.57 -1.87 0.05 0.00 -0.53 0.00 0.00 39.78 37.99 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 -1.04 -5.95 0.00 1.20 5.15 -1.26 -3.81 115.26 109.55 1ha8 n ASN 19 Ca -0.06 -0.84 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1ha8 n ASN 19 Cb 0.44 -4.02 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 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 -1.56 0.42 2.16 8.20 0.00 -0.02 -4.87 105.19 109.53 1ha8 n GLY 20 Ca -0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 1ha8 n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ha8 n THR 21 N -2.96 0.22 -4.47 2.61 5.66 -1.10 -4.93 114.28 109.31 1ha8 n THR 21 Ca 0.00 -1.08 -0.30 0.00 -3.05 0.00 0.00 64.05 59.61 1ha8 n THR 21 Cb 0.01 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 1ha8 n THR 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ha8 s GLY 22 N -1.65 2.77 0.06 1.09 0.00 -0.90 -4.80 107.32 103.88 1ha8 s GLY 22 Ca 0.12 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 43.71 1ha8 s GLY 22 CO -0.08 -2.10 1.58 -0.56 0.00 0.00 0.00 173.10 171.93 1ha8 h PRO 23 N 1.22 -0.38 -4.51 2.90 0.13 -1.84 -2.86 132.00 126.67 1ha8 h PRO 23 Ca -0.42 0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 64.00 1ha8 h PRO 23 Cb 1.30 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 1ha8 h PRO 23 CO 0.70 -0.19 1.83 0.00 -0.23 0.00 0.00 178.00 180.11 1ha8 n ALA 25 N 5.60 2.59 0.25 0.00 0.00 -1.08 -4.17 120.51 123.70 1ha8 n ALA 25 Ca 0.41 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1ha8 n ALA 25 Cb 0.41 0.45 0.65 0.00 0.00 0.00 0.00 19.45 20.96 1ha8 n ALA 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ha8 h ASN 26 N -0.10 0.00 0.02 0.00 4.21 -1.83 -2.02 115.58 115.85 1ha8 h ASN 26 Ca -0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1ha8 h ASN 26 Cb 1.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1ha8 h ASN 26 CO -0.05 0.16 0.00 0.00 -1.29 0.00 0.00 177.43 176.25 1ha8 n LEU 28 N -1.15 1.52 0.05 0.00 7.99 -0.76 -4.51 117.00 120.14 1ha8 n LEU 28 Ca 0.01 0.24 -0.13 0.00 -0.01 0.00 0.00 56.01 56.12 1ha8 n LEU 28 Cb 0.01 -0.55 -0.08 0.00 -0.11 0.00 0.00 43.42 42.69 1ha8 n LEU 28 CO 0.01 -0.39 0.77 0.00 -1.51 0.00 0.00 177.39 176.27 1ha8 h ALA 29 N -0.56 -0.08 -3.05 -1.18 0.00 -1.62 -3.17 119.26 109.61 1ha8 h ALA 29 Ca -0.05 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.14 1ha8 h ALA 29 Cb 0.65 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.07 1ha8 h ALA 29 CO -0.03 -0.47 -0.51 0.41 0.00 0.00 0.00 179.25 178.66 1ha8 n GLY 30 N -0.70 4.05 2.60 0.00 0.00 -1.22 -4.98 105.19 104.94 1ha8 n GLY 30 Ca -0.08 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.03 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 1.98 3.26 1.31 1.61 4.11 -1.20 -4.73 117.16 123.51 1ha8 n TYR 31 Ca 0.20 -2.85 0.14 0.00 -0.00 0.00 0.00 57.90 55.40 1ha8 n TYR 31 Cb 0.35 -0.45 0.67 0.00 -0.00 0.00 0.00 39.34 39.91 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 -0.51 0.38 0.00 -3.48 -0.04 -1.26 -2.77 135.00 127.32 1ha8 n PRO 32 Ca 0.44 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1ha8 n PRO 32 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.26 2.34 0.11 0.55 0.00 -1.26 -4.85 120.51 116.15 1ha8 n ALA 33 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ha8 n ALA 33 Cb 0.27 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.02 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 0.23 2.00 0.00 0.00 -1.85 -1.01 103.07 102.44 1ha8 h GLY 34 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1ha8 h GLY 34 CO 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 176.54 176.68 1ha8 h SER 36 N 0.00 0.13 -2.15 0.00 4.64 -1.56 -3.44 113.55 111.17 1ha8 h SER 36 Ca -0.00 -0.15 -0.54 0.00 -0.47 0.00 0.00 61.79 60.63 1ha8 h SER 36 Cb 0.28 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 1ha8 h SER 36 CO 0.00 1.12 1.14 0.20 -0.87 0.00 0.00 176.83 178.42 1ha8 s ASN 37 N -6.75 6.08 0.58 4.97 -0.87 -0.67 -4.87 114.94 113.40 1ha8 s ASN 37 Ca -0.02 -0.48 0.28 0.00 -1.57 0.00 0.00 52.86 51.08 1ha8 s ASN 37 Cb 0.09 -2.56 1.50 0.00 -0.02 0.00 0.00 41.25 40.26 1ha8 s ASN 37 CO 0.84 -1.88 1.96 -1.28 -2.57 0.00 0.00 177.10 174.16 1ha8 h SER 38 N 10.59 0.00 -0.94 -1.22 0.87 -1.84 0.26 113.55 121.26 1ha8 h SER 38 Ca -0.22 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1ha8 h SER 38 Cb 1.06 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 1ha8 h SER 38 CO 1.29 0.00 0.62 -0.78 -0.53 0.00 0.00 176.83 177.42 1ha8 h ASP 39 N 0.00 1.01 0.00 6.23 3.58 -1.91 -3.18 116.42 122.16 1ha8 h ASP 39 Ca 0.21 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ha8 h ASP 39 Cb 1.04 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1ha8 h ASP 39 CO -0.00 0.69 -0.73 0.00 -2.88 0.00 0.00 179.24 176.33 1ha8 h THR 41 N 0.00 0.77 -0.10 0.00 2.02 -0.57 -0.08 112.91 114.95 1ha8 h THR 41 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1ha8 h THR 41 Cb 0.30 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1ha8 h THR 41 CO 0.00 0.04 -0.01 0.00 0.37 0.00 0.00 175.52 175.92 1ha8 h ALA 42 N 1.32 0.13 -0.15 6.16 0.00 -1.84 0.53 119.26 125.41 1ha8 h ALA 42 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ha8 h ALA 42 Cb 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1ha8 h ALA 42 CO -0.28 -0.18 -0.51 0.35 0.00 0.00 0.00 179.25 178.64 1ha8 h PHE 43 N -0.12 -1.49 0.00 0.00 3.04 -1.82 -2.13 116.94 114.43 1ha8 h PHE 43 Ca 0.03 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1ha8 h PHE 43 Cb 0.37 0.67 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1ha8 h PHE 43 CO 0.04 -0.52 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.55 1ha8 h LEU 44 N -0.55 0.00 0.49 0.59 3.38 -0.76 0.23 115.31 118.70 1ha8 h LEU 44 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ha8 h LEU 44 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ha8 h LEU 44 CO -0.44 0.19 -0.47 -1.28 0.09 0.00 0.00 178.44 176.53 1ha8 h SER 45 N 0.00 -1.27 -0.68 -0.43 0.87 -0.49 0.14 113.55 111.69 1ha8 h SER 45 Ca -0.00 0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1ha8 h SER 45 Cb 0.39 0.41 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 1ha8 h SER 45 CO 0.02 -0.62 0.45 1.56 -0.53 0.00 0.00 176.83 177.71 1ha8 h GLN 46 N -0.95 0.48 0.09 2.24 7.50 -0.54 -1.28 115.11 122.66 1ha8 h GLN 46 Ca -0.06 -0.03 -0.37 0.00 0.50 0.00 0.00 58.65 58.69 1ha8 h GLN 46 Cb 0.82 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.21 1ha8 h GLN 46 CO -0.04 0.32 -2.11 0.00 -1.50 0.00 0.00 178.83 175.49 1ha8 n TYR 48 N -3.45 0.00 0.00 0.00 4.01 0.46 -5.01 117.16 113.17 1ha8 n TYR 48 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1ha8 n TYR 48 Cb 1.02 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 2.46 0.93 1.11 2.72 0.00 -0.48 -4.86 105.19 107.07 1ha8 n GLY 49 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.58 0.74 3.52 -0.02 0.00 -1.08 -4.81 105.19 102.97 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