#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3p n GLY 5 N 0.00 0.28 1.31 -1.23 0.00 -1.26 -4.75 105.19 99.54 1a3p n GLY 5 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1a3p n GLY 5 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a3p n PRO 7 N 0.00 0.00 -0.09 1.61 -0.04 -1.26 -5.02 135.00 130.20 1a3p n PRO 7 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1a3p n PRO 7 Cb 0.00 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.04 1a3p n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a3p n SER 8 N 1.31 0.14 -3.54 3.54 2.88 -1.26 -5.00 113.62 111.70 1a3p n SER 8 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1a3p n SER 8 Cb 0.36 1.08 -0.04 0.00 -0.75 0.00 0.00 64.21 64.87 1a3p n SER 8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1a3p s SER 9 N -5.32 -0.43 -0.03 -3.46 0.15 -1.26 -5.05 113.70 98.30 1a3p s SER 9 Ca -0.10 0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1a3p s SER 9 Cb 0.07 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 1a3p s SER 9 CO 0.81 -0.48 0.91 0.00 1.20 0.00 0.00 173.24 175.68 1a3p n TYR 10 N 0.49 0.00 -1.93 3.44 0.18 -1.26 -4.99 117.16 113.10 1a3p n TYR 10 Ca -0.12 -0.38 -0.41 0.00 1.88 0.00 0.00 57.90 58.87 1a3p n TYR 10 Cb 0.59 -0.06 -0.01 0.00 -0.38 0.00 0.00 39.34 39.47 1a3p n TYR 10 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1a3p s ASP 11 N -1.19 6.54 -1.51 9.48 -4.77 -1.26 -2.20 116.67 121.76 1a3p s ASP 11 Ca 0.08 2.84 -0.19 0.00 -3.30 0.00 0.00 52.55 51.98 1a3p s ASP 11 Cb 0.07 -2.65 0.19 0.00 -1.09 0.00 0.00 42.92 39.44 1a3p s ASP 11 CO 0.01 -0.75 0.49 0.61 0.70 0.00 0.00 175.17 176.22 1a3p n GLY 12 N 1.30 -0.42 0.08 2.12 0.00 -1.26 -4.77 105.19 102.24 1a3p n GLY 12 Ca 0.03 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1a3p n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1a3p n TYR 13 N -3.77 0.00 -4.07 1.61 4.19 -0.93 -4.89 117.16 109.31 1a3p n TYR 13 Ca 0.09 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.19 1a3p n TYR 13 Cb 0.46 -0.20 -0.11 0.00 0.49 0.00 0.00 39.34 39.98 1a3p n TYR 13 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a3p n LEU 15 N 1.13 0.24 0.04 0.00 4.32 -0.33 -4.92 117.00 117.49 1a3p n LEU 15 Ca -0.21 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1a3p n LEU 15 Cb 0.56 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1a3p n LEU 15 CO 0.23 -0.36 -0.15 -0.46 -1.22 0.00 0.00 177.39 175.42 1a3p n ASN 16 N -2.04 0.67 -2.01 -1.43 0.23 -1.26 -4.77 115.26 104.65 1a3p n ASN 16 Ca 0.00 0.12 -0.16 0.00 -0.53 0.00 0.00 54.58 54.01 1a3p n ASN 16 Cb 0.00 -0.18 -0.03 0.00 -2.08 0.00 0.00 39.78 37.49 1a3p n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a3p n GLY 17 N 3.17 3.74 3.04 4.83 0.00 -1.26 -4.80 105.19 113.90 1a3p n GLY 17 Ca 0.00 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1a3p n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3p n GLY 18 N 1.01 2.39 0.00 -0.02 0.00 -1.26 -2.22 105.19 105.09 1a3p n GLY 18 Ca 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1a3p n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a3p n VAL 19 N 5.70 0.00 -0.26 1.61 0.31 -1.25 -4.81 118.33 119.63 1a3p n VAL 19 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1a3p n VAL 19 Cb 0.33 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1a3p n VAL 19 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1a3p n MET 21 N -0.61 -3.42 -4.36 5.55 0.00 0.17 0.57 117.12 115.02 1a3p n MET 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1a3p n MET 21 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 1a3p n MET 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1a3p s HIS 22 N -1.96 2.93 -0.25 3.17 2.46 -1.26 -1.46 115.29 118.92 1a3p s HIS 22 Ca 0.00 -0.63 0.13 0.00 0.47 0.00 0.00 55.06 55.03 1a3p s HIS 22 Cb 0.00 -1.97 0.63 0.00 -0.13 0.00 0.00 32.58 31.11 1a3p s HIS 22 CO 0.00 -0.27 1.59 1.51 -2.47 0.00 0.00 174.74 175.10 1a3p n ILE 23 N 3.97 2.61 -0.39 0.89 0.13 0.59 -4.68 119.36 122.48 1a3p n ILE 23 Ca -0.18 -1.91 0.34 0.00 -1.10 0.00 0.00 62.75 59.90 1a3p n ILE 23 Cb 0.52 -0.31 0.59 0.00 -0.84 0.00 0.00 39.64 39.61 1a3p n ILE 23 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1a3p n GLU 24 N -0.40 -0.04 -0.22 9.51 0.00 0.13 0.16 120.64 129.77 1a3p n GLU 24 Ca 0.31 1.18 0.16 0.00 0.00 0.00 0.00 57.16 58.80 1a3p n GLU 24 Cb 1.12 -2.25 0.29 0.00 0.00 0.00 0.00 31.44 30.60 1a3p n GLU 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1a3p n SER 25 N -4.70 0.08 -0.00 4.31 7.64 -1.26 -1.87 113.62 117.82 1a3p n SER 25 Ca 0.36 1.11 -0.00 0.00 1.01 0.00 0.00 58.87 61.35 1a3p n SER 25 Cb 1.35 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1a3p n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3p n LEU 26 N -4.69 1.40 0.00 -3.43 -0.00 0.12 -5.07 117.00 105.33 1a3p n LEU 26 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1a3p n LEU 26 Cb 0.68 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 1a3p n LEU 26 CO -0.02 0.25 0.00 0.47 -0.00 0.00 0.00 177.39 178.09 1a3p n ASP 27 N -2.26 0.00 0.00 1.45 8.00 0.42 -5.15 116.55 119.01 1a3p n ASP 27 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1a3p n ASP 27 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1a3p n ASP 27 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a3p n SER 28 N -0.75 0.00 -4.86 -2.24 3.41 -1.22 -4.39 113.62 103.56 1a3p n SER 28 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1a3p n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1a3p n SER 28 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1a3p s TYR 29 N 2.02 3.61 0.35 7.33 5.04 -1.26 0.22 117.35 134.66 1a3p s TYR 29 Ca 0.00 0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 55.21 1a3p s TYR 29 Cb 0.00 -2.02 0.01 0.00 0.35 0.00 0.00 41.96 40.30 1a3p s TYR 29 CO 0.00 0.70 0.50 -0.08 -1.34 0.00 0.00 175.55 175.32 1a3p s THR 30 N -0.96 0.00 0.19 4.34 -1.32 -0.53 -4.76 115.64 112.59 1a3p s THR 30 Ca 0.16 -1.57 0.09 0.00 -1.21 0.00 0.00 61.69 59.16 1a3p s THR 30 Cb -0.13 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1a3p s THR 30 CO 0.05 0.00 -0.11 0.00 -2.21 0.00 0.00 174.62 172.35 1a3p s ASN 32 N -2.84 5.87 0.70 0.00 3.04 0.19 -4.73 114.94 117.17 1a3p s ASN 32 Ca 0.25 -3.15 -0.17 0.00 0.04 0.00 0.00 52.86 49.83 1a3p s ASN 32 Cb -0.09 -1.96 0.02 0.00 -1.54 0.00 0.00 41.25 37.68 1a3p s ASN 32 CO 0.15 -0.34 1.22 0.00 -3.04 0.00 0.00 177.10 175.09 1a3p n VAL 34 N -2.35 1.39 -0.17 0.00 3.14 -1.17 -4.74 118.33 114.43 1a3p n VAL 34 Ca 0.15 -0.16 0.28 0.00 -2.96 0.00 0.00 64.34 61.65 1a3p n VAL 34 Cb 0.49 -1.11 0.53 0.00 -1.06 0.00 0.00 33.84 32.69 1a3p n VAL 34 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a3p h ILE 35 N -1.19 0.09 0.00 1.55 2.10 -1.93 0.39 117.51 118.52 1a3p h ILE 35 Ca -0.45 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.34 1a3p h ILE 35 Cb 1.29 0.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.15 1a3p h ILE 35 CO 0.44 0.00 -2.01 0.61 -1.08 0.00 0.00 178.15 176.11 1a3p n GLY 36 N -1.68 -1.05 3.47 8.18 0.00 -1.26 -4.90 105.19 107.96 1a3p n GLY 36 Ca 0.21 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1a3p n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3p s TYR 37 N -3.09 2.90 0.00 1.61 2.02 0.14 0.14 117.35 121.07 1a3p s TYR 37 Ca -0.08 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1a3p s TYR 37 Cb 0.10 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1a3p s TYR 37 CO 0.87 0.00 0.00 0.45 -1.57 0.00 0.00 175.55 175.30 1a3p n SER 38 N 3.13 0.00 0.00 2.29 2.88 -1.26 -3.04 113.62 117.62 1a3p n SER 38 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1a3p n SER 38 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1a3p n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a3p n GLY 39 N 0.20 2.36 0.00 0.46 0.00 -1.26 -0.38 105.19 106.57 1a3p n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a3p n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3p n ASP 40 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.78 116.55 114.14 1a3p n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a3p n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1a3p n ARG 41 N -1.79 0.49 -2.71 -0.67 0.00 -1.20 -3.75 116.66 107.03 1a3p n ARG 41 Ca 0.00 -0.58 -0.21 0.00 -0.00 0.00 0.00 57.85 57.05 1a3p n ARG 41 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 32.46 31.83 1a3p n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3p n GLN 43 N -3.50 1.63 -0.47 0.00 10.64 -1.17 -3.62 117.38 120.90 1a3p n GLN 43 Ca -0.18 -0.96 0.05 0.00 -1.83 0.00 0.00 57.00 54.08 1a3p n GLN 43 Cb 0.65 -1.35 0.08 0.00 -0.86 0.00 0.00 30.24 28.77 1a3p n GLN 43 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1a3p n THR 44 N 0.20 0.97 0.00 -0.39 5.66 -1.26 -5.05 114.28 114.41 1a3p n THR 44 Ca 0.15 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.79 1a3p n THR 44 Cb 0.28 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1a3p n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1a3p n ARG 45 N -0.62 0.00 0.00 1.09 1.74 -1.24 -4.57 116.66 113.06 1a3p n ARG 45 Ca 0.09 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.26 1a3p n ARG 45 Cb 0.73 0.00 0.52 0.00 -1.02 0.00 0.00 32.46 32.69 1a3p n ARG 45 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1a3p n ASP 46 N 0.00 0.00 0.00 0.55 2.03 0.38 -4.90 116.55 114.60 1a3p n ASP 46 Ca 0.00 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.38 1a3p n ASP 46 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a3p n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a3p n LEU 47 N -0.87 0.00 0.00 -2.67 4.77 -1.18 -4.96 117.00 112.09 1a3p n LEU 47 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1a3p n LEU 47 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1a3p n LEU 47 CO 0.10 -0.06 0.00 0.54 -1.33 0.00 0.00 177.39 176.63