#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 5.99 0.00 0.55 0.00 -1.26 -4.82 105.19 105.64 1a3p n GLY 5 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 1.61 -0.04 -1.26 -5.00 135.00 130.31 1a3p n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a3p n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1a3p n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a3p n SER 8 N 0.00 0.00 -3.78 3.54 7.64 -1.26 -3.89 113.62 115.87 1a3p n SER 8 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1a3p n SER 8 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1a3p n SER 8 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a3p s SER 9 N -4.96 0.88 0.00 6.43 0.01 -1.26 -4.99 113.70 109.80 1a3p s SER 9 Ca 0.00 -0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.35 1a3p s SER 9 Cb 0.00 -0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.15 1a3p s SER 9 CO 0.00 -0.15 1.04 0.00 0.41 0.00 0.00 173.24 174.54 1a3p n TYR 10 N 4.62 0.21 -1.67 2.43 4.11 -1.25 -4.90 117.16 120.70 1a3p n TYR 10 Ca -0.17 -0.22 -0.46 0.00 -0.00 0.00 0.00 57.90 57.05 1a3p n TYR 10 Cb 0.50 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.79 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1a3p n ASP 11 N 0.60 3.18 -3.77 9.48 9.92 -1.26 -1.97 116.55 132.72 1a3p n ASP 11 Ca 0.09 1.07 -0.26 0.00 -0.53 0.00 0.00 54.79 55.16 1a3p n ASP 11 Cb 0.35 -1.43 -0.07 0.00 -0.64 0.00 0.00 41.12 39.33 1a3p n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a3p n GLY 12 N 3.53 -0.16 0.10 0.44 0.00 -1.26 -4.78 105.19 103.05 1a3p n GLY 12 Ca 0.17 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.40 0.84 -4.35 1.61 4.19 -0.83 -4.90 117.16 110.33 1a3p n TYR 13 Ca -0.11 0.25 -0.27 0.00 3.31 0.00 0.00 57.90 61.07 1a3p n TYR 13 Cb 0.44 -0.91 -0.11 0.00 0.49 0.00 0.00 39.34 39.26 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 0.22 1.94 0.00 0.00 4.32 0.80 -4.98 117.00 119.31 1a3p n LEU 15 Ca -0.12 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1a3p n LEU 15 Cb 0.55 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1a3p n LEU 15 CO 0.32 0.77 0.00 0.59 -1.22 0.00 0.00 177.39 177.85 1a3p n ASN 16 N -3.06 0.00 -0.01 -1.43 3.02 -1.26 -4.94 115.26 107.59 1a3p n ASN 16 Ca -0.40 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.29 1a3p n ASN 16 Cb 1.03 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.79 1a3p n ASN 16 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1a3p h GLY 17 N 0.00 0.30 -2.00 7.41 0.00 -1.85 -3.45 103.07 103.48 1a3p h GLY 17 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1a3p h GLY 17 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1a3p n GLY 18 N -1.56 0.00 0.00 4.60 0.00 -1.21 -4.69 105.19 102.32 1a3p n GLY 18 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.20 0.00 0.00 1.61 0.31 0.80 -4.79 118.33 116.05 1a3p n VAL 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a3p n VAL 19 Cb 0.00 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.00 0.00 -1.89 5.55 0.00 0.25 0.47 117.12 121.50 1a3p n MET 21 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1a3p n MET 21 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 0.00 1.72 -0.25 3.17 2.46 -1.26 -1.63 115.29 119.50 1a3p s HIS 22 Ca 0.00 -0.01 0.13 0.00 0.47 0.00 0.00 55.06 55.65 1a3p s HIS 22 Cb 0.00 -4.03 0.78 0.00 -0.13 0.00 0.00 32.58 29.20 1a3p s HIS 22 CO 0.00 -4.42 1.74 1.51 -2.47 0.00 0.00 174.74 171.10 1a3p n ILE 23 N 5.59 2.78 -0.11 0.89 0.13 0.53 -4.68 119.36 124.49 1a3p n ILE 23 Ca 0.18 -1.51 0.02 0.00 -1.10 0.00 0.00 62.75 60.34 1a3p n ILE 23 Cb 0.42 -0.29 0.04 0.00 -0.84 0.00 0.00 39.64 38.97 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 0.35 -0.03 -0.11 9.51 0.00 0.23 0.38 120.64 130.98 1a3p n GLU 24 Ca 0.30 0.49 0.02 0.00 0.00 0.00 0.00 57.16 57.97 1a3p n GLU 24 Cb 1.22 -0.73 0.05 0.00 0.00 0.00 0.00 31.44 31.98 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 -4.50 -0.09 -0.04 4.31 7.64 -1.26 -0.75 113.62 118.93 1a3p n SER 25 Ca 0.05 0.51 -0.05 0.00 1.01 0.00 0.00 58.87 60.39 1a3p n SER 25 Cb 0.15 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 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 -4.40 1.14 0.00 -3.43 -0.00 0.16 -5.05 117.00 105.42 1a3p n LEU 26 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a3p n LEU 26 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1a3p n LEU 26 CO -0.03 0.36 0.00 0.47 -0.00 0.00 0.00 177.39 178.19 1a3p n ASP 27 N -2.46 0.00 0.00 1.45 8.00 0.07 -5.15 116.55 118.46 1a3p n ASP 27 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1a3p n ASP 27 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 -0.98 0.90 -4.84 -2.24 3.41 -1.25 -4.50 113.62 104.12 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 1.23 3.58 0.17 7.33 5.04 -1.26 0.20 117.35 133.64 1a3p s TYR 29 Ca 0.00 0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 55.18 1a3p s TYR 29 Cb 0.00 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.28 1a3p s TYR 29 CO 0.00 0.63 0.24 -2.37 -1.34 0.00 0.00 175.55 172.71 1a3p n THR 30 N 2.28 0.00 -4.36 4.34 5.66 -0.64 -4.72 114.28 116.83 1a3p n THR 30 Ca -0.18 -0.89 -0.21 0.00 -3.05 0.00 0.00 64.05 59.72 1a3p n THR 30 Cb 0.54 0.54 -0.11 0.00 -1.55 0.00 0.00 70.33 69.76 1a3p n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a3p s ASN 32 N -3.00 4.91 0.00 0.00 2.47 0.18 -4.78 114.94 114.71 1a3p s ASN 32 Ca 0.20 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.88 1a3p s ASN 32 Cb -0.04 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1a3p s ASN 32 CO 0.08 -0.14 0.00 0.00 -3.72 0.00 0.00 177.10 173.32 1a3p s VAL 34 N 2.54 0.25 0.62 0.00 0.11 -0.55 -4.65 120.40 118.73 1a3p s VAL 34 Ca 0.00 -1.83 0.25 0.00 -2.93 0.00 0.00 61.98 57.48 1a3p s VAL 34 Cb 0.00 -1.56 0.33 0.00 -1.53 0.00 0.00 36.38 33.62 1a3p s VAL 34 CO 0.00 -0.96 1.63 -0.29 -3.33 0.00 0.00 175.10 172.14 1a3p h ILE 35 N 3.12 0.15 0.00 7.04 2.10 -1.94 0.50 117.51 128.48 1a3p h ILE 35 Ca -0.34 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.59 1a3p h ILE 35 Cb 1.15 0.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1a3p h ILE 35 CO 0.66 0.00 -1.75 0.61 -1.08 0.00 0.00 178.15 176.59 1a3p n GLY 36 N -1.52 -1.12 3.09 8.18 0.00 -1.25 -4.89 105.19 107.68 1a3p n GLY 36 Ca 0.10 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.46 2.16 0.00 1.61 2.02 0.17 0.31 117.35 120.17 1a3p s TYR 37 Ca -0.06 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 55.62 1a3p s TYR 37 Cb 0.13 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1a3p s TYR 37 CO 0.88 -0.50 0.00 0.45 -1.57 0.00 0.00 175.55 174.81 1a3p n SER 38 N 4.10 0.00 0.00 2.29 2.88 -0.57 -1.48 113.62 120.85 1a3p n SER 38 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1a3p n SER 38 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.46 1.03 0.00 0.46 0.00 -1.26 -0.57 105.19 105.30 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 -4.83 116.55 114.10 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 0.19 -2.57 -0.67 0.00 -1.11 -3.93 116.66 106.77 1a3p n ARG 41 Ca 0.00 -0.42 -0.19 0.00 -0.00 0.00 0.00 57.85 57.25 1a3p n ARG 41 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 32.46 31.81 1a3p n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1a3p h GLN 43 N -0.49 0.00 -3.45 0.00 3.07 -1.89 -3.36 115.11 108.99 1a3p h GLN 43 Ca -0.44 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 57.56 1a3p h GLN 43 Cb 1.32 0.00 -0.33 0.00 0.08 0.00 0.00 27.48 28.55 1a3p h GLN 43 CO 0.50 0.00 0.05 -0.08 0.09 0.00 0.00 178.83 179.39 1a3p s THR 44 N -3.35 4.86 -1.00 1.86 -1.32 -1.24 -4.92 115.64 110.52 1a3p s THR 44 Ca 0.00 -3.54 -0.23 0.00 -1.21 0.00 0.00 61.69 56.71 1a3p s THR 44 Cb 0.09 -3.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1a3p s THR 44 CO 0.78 -1.09 1.63 -0.13 -2.21 0.00 0.00 174.62 173.60 1a3p s ARG 45 N -1.07 3.25 0.54 7.08 0.52 -1.26 -1.51 118.95 126.49 1a3p s ARG 45 Ca 0.26 -0.90 0.27 0.00 -0.52 0.00 0.00 55.73 54.85 1a3p s ARG 45 Cb -0.10 -5.27 1.54 0.00 0.52 0.00 0.00 34.95 31.65 1a3p s ARG 45 CO -0.10 -2.63 2.13 0.22 0.02 0.00 0.00 175.30 174.94 1a3p h ASP 46 N 10.17 0.00 0.00 0.23 3.58 0.44 -3.47 116.42 127.37 1a3p h ASP 46 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1a3p h ASP 46 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1a3p h ASP 46 CO 1.36 0.08 0.00 0.18 -2.88 0.00 0.00 179.24 177.97 1a3p n LEU 47 N -3.81 0.00 0.00 2.28 4.77 0.67 -4.99 117.00 115.92 1a3p n LEU 47 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1a3p n LEU 47 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1a3p n LEU 47 CO 0.30 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.90