#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 5.04 0.00 0.55 0.00 -1.26 -4.92 105.19 104.60 1a3p n GLY 5 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1a3p n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a3p n PRO 7 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -5.01 135.00 130.32 1a3p n PRO 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1a3p n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1a3p n PRO 7 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1a3p n SER 8 N 0.00 0.00 -3.92 2.55 7.64 -1.26 -3.73 113.62 114.90 1a3p n SER 8 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1a3p n SER 8 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1a3p n SER 8 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a3p s SER 9 N -4.98 3.84 0.00 6.43 1.04 -1.26 -4.98 113.70 113.78 1a3p s SER 9 Ca 0.00 -1.23 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1a3p s SER 9 Cb 0.00 -1.14 0.06 0.00 0.10 0.00 0.00 66.02 65.04 1a3p s SER 9 CO 0.00 -0.26 0.73 0.00 0.98 0.00 0.00 173.24 174.69 1a3p n TYR 10 N 4.69 0.02 -2.76 5.02 4.11 -1.24 -4.75 117.16 122.24 1a3p n TYR 10 Ca -0.10 -0.05 -0.43 0.00 -0.00 0.00 0.00 57.90 57.33 1a3p n TYR 10 Cb 0.44 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.75 1a3p n TYR 10 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1a3p s ASP 11 N -0.54 6.59 0.00 9.48 -1.08 -1.26 -2.56 116.67 127.31 1a3p s ASP 11 Ca 0.07 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.27 1a3p s ASP 11 Cb 0.05 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1a3p s ASP 11 CO 0.07 -1.24 0.00 0.61 0.52 0.00 0.00 175.17 175.13 1a3p n GLY 12 N 6.04 1.93 0.01 2.66 0.00 -1.26 -5.02 105.19 109.56 1a3p n GLY 12 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.65 0.10 -4.26 1.61 4.19 -1.06 -4.89 117.16 112.20 1a3p n TYR 13 Ca 0.00 0.03 -0.22 0.00 3.31 0.00 0.00 57.90 61.02 1a3p n TYR 13 Cb 0.00 -0.31 -0.12 0.00 0.49 0.00 0.00 39.34 39.40 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 0.96 2.48 0.06 0.00 4.32 0.54 -4.98 117.00 120.38 1a3p n LEU 15 Ca -0.19 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1a3p n LEU 15 Cb 0.54 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1a3p n LEU 15 CO 0.24 0.77 0.00 0.59 -1.22 0.00 0.00 177.39 177.76 1a3p n ASN 16 N -3.01 -0.57 -1.89 -1.43 3.02 -1.26 -4.94 115.26 105.19 1a3p n ASN 16 Ca -0.34 0.22 0.07 0.00 -0.03 0.00 0.00 54.58 54.50 1a3p n ASN 16 Cb 0.91 0.70 0.41 0.00 -0.61 0.00 0.00 39.78 41.18 1a3p n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3p n GLY 17 N 0.44 2.98 3.55 7.41 0.00 -1.26 -4.90 105.19 113.41 1a3p n GLY 17 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1a3p n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3p s GLY 18 N -0.79 -0.16 0.00 -0.02 0.00 -1.26 -3.49 107.32 101.60 1a3p s GLY 18 Ca 0.55 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1a3p s GLY 18 CO 0.17 3.77 0.00 -0.62 0.00 0.00 0.00 173.10 176.42 1a3p n VAL 19 N 7.85 0.00 0.00 1.40 0.31 -1.22 -4.74 118.33 121.93 1a3p n VAL 19 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1a3p n VAL 19 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 -3.96 5.55 0.00 -0.35 0.17 117.12 118.52 1a3p n MET 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1a3p n MET 21 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 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 -2.00 3.22 -0.23 3.17 2.46 -1.26 -1.74 115.29 118.91 1a3p s HIS 22 Ca 0.00 -0.00 0.14 0.00 0.47 0.00 0.00 55.06 55.67 1a3p s HIS 22 Cb 0.00 -2.12 0.67 0.00 -0.13 0.00 0.00 32.58 31.00 1a3p s HIS 22 CO 0.00 0.06 1.60 1.51 -2.47 0.00 0.00 174.74 175.44 1a3p n ILE 23 N 3.82 2.57 -0.17 0.89 0.13 0.44 -4.69 119.36 122.35 1a3p n ILE 23 Ca -0.16 -1.73 0.04 0.00 -1.10 0.00 0.00 62.75 59.80 1a3p n ILE 23 Cb 0.52 -0.28 0.08 0.00 -0.84 0.00 0.00 39.64 39.12 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 -0.10 -0.04 -0.12 9.51 0.00 0.22 0.31 120.64 130.42 1a3p n GLU 24 Ca 0.27 0.74 0.03 0.00 0.00 0.00 0.00 57.16 58.21 1a3p n GLU 24 Cb 1.08 -1.12 0.07 0.00 0.00 0.00 0.00 31.44 31.47 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 -4.73 -0.09 -0.04 4.31 7.64 -1.26 -0.85 113.62 118.60 1a3p n SER 25 Ca 0.08 0.59 -0.05 0.00 1.01 0.00 0.00 58.87 60.51 1a3p n SER 25 Cb 0.27 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 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 -4.44 1.23 0.00 -3.43 -0.00 0.15 -5.05 117.00 105.46 1a3p n LEU 26 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1a3p n LEU 26 Cb 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1a3p n LEU 26 CO -0.03 0.38 0.00 0.47 -0.00 0.00 0.00 177.39 178.20 1a3p n ASP 27 N -2.48 0.00 0.00 1.45 8.00 0.05 -5.15 116.55 118.42 1a3p n ASP 27 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 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 -1.02 1.87 -4.84 -2.24 3.41 -1.23 -4.50 113.62 105.06 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 0.98 3.62 0.34 7.33 5.04 -1.26 0.16 117.35 133.55 1a3p s TYR 29 Ca 0.00 0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 55.28 1a3p s TYR 29 Cb 0.00 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.22 1a3p s TYR 29 CO 0.00 0.64 0.48 -2.37 -1.34 0.00 0.00 175.55 172.96 1a3p n THR 30 N 2.16 0.00 -4.31 4.34 5.66 -0.71 -4.71 114.28 116.71 1a3p n THR 30 Ca -0.17 -1.65 -0.28 0.00 -3.05 0.00 0.00 64.05 58.89 1a3p n THR 30 Cb 0.54 1.04 -0.11 0.00 -1.55 0.00 0.00 70.33 70.25 1a3p n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a3p n ASN 32 N 0.49 5.30 -4.74 0.00 5.15 0.13 -4.73 115.26 116.86 1a3p n ASN 32 Ca -0.14 -3.19 -0.35 0.00 -0.60 0.00 0.00 54.58 50.31 1a3p n ASN 32 Cb 0.54 -1.22 0.06 0.00 -0.53 0.00 0.00 39.78 38.64 1a3p n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a3p n VAL 34 N -2.21 0.00 0.26 0.00 3.14 -1.17 -4.77 118.33 113.58 1a3p n VAL 34 Ca 0.13 -0.06 0.16 0.00 -2.96 0.00 0.00 64.34 61.61 1a3p n VAL 34 Cb 0.50 -0.98 0.72 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.98 0.09 0.00 1.55 2.10 -1.95 0.27 117.51 117.60 1a3p h ILE 35 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1a3p h ILE 35 Cb 1.28 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1a3p h ILE 35 CO 0.42 0.00 -1.10 0.61 -1.08 0.00 0.00 178.15 176.99 1a3p n GLY 36 N -1.33 -1.16 2.93 8.18 0.00 -1.26 -4.87 105.19 107.68 1a3p n GLY 36 Ca 0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.20 1.08 0.00 1.61 2.02 0.96 0.29 117.35 120.12 1a3p s TYR 37 Ca 0.03 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1a3p s TYR 37 Cb 0.15 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1a3p s TYR 37 CO 0.82 -0.28 0.00 0.45 -1.57 0.00 0.00 175.55 174.97 1a3p n SER 38 N 4.21 0.00 0.00 2.29 2.88 0.38 -3.03 113.62 120.34 1a3p n SER 38 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 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 0.80 0.45 0.85 0.46 0.00 -1.26 -0.84 105.19 105.64 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 -0.05 0.00 0.00 1.61 2.03 -1.26 -4.77 116.55 114.11 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 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -2.00 0.11 -2.38 -0.67 0.00 -1.16 -3.54 116.66 107.02 1a3p n ARG 41 Ca 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.68 1a3p n ARG 41 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.05 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 -0.24 0.00 -3.49 0.00 3.07 -1.90 -3.38 115.11 109.17 1a3p h GLN 43 Ca -0.31 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 57.75 1a3p h GLN 43 Cb 1.22 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.41 1a3p h GLN 43 CO 0.36 0.00 -0.45 -0.08 0.09 0.00 0.00 178.83 178.74 1a3p s THR 44 N -3.33 3.33 -0.86 1.86 -1.32 -1.25 -4.99 115.64 109.08 1a3p s THR 44 Ca 0.01 -3.13 -0.21 0.00 -1.21 0.00 0.00 61.69 57.15 1a3p s THR 44 Cb 0.09 -3.21 0.10 0.00 -1.51 0.00 0.00 72.50 67.98 1a3p s THR 44 CO 0.77 -0.86 1.12 -0.13 -2.21 0.00 0.00 174.62 173.32 1a3p s ARG 45 N -0.20 3.44 0.61 7.08 0.52 -1.26 -0.47 118.95 128.66 1a3p s ARG 45 Ca 0.17 -1.36 0.39 0.00 -0.52 0.00 0.00 55.73 54.41 1a3p s ARG 45 Cb -0.22 -4.75 1.92 0.00 0.52 0.00 0.00 34.95 32.42 1a3p s ARG 45 CO -0.02 -1.85 2.19 0.22 0.02 0.00 0.00 175.30 175.85 1a3p h ASP 46 N 9.21 0.00 0.00 0.23 3.58 0.38 -3.47 116.42 126.36 1a3p h ASP 46 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1a3p h ASP 46 Cb 1.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1a3p h ASP 46 CO 1.18 0.01 0.00 0.18 -2.88 0.00 0.00 179.24 177.72 1a3p n LEU 47 N -3.12 0.00 0.00 2.28 4.77 0.19 -4.99 117.00 116.12 1a3p n LEU 47 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 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 0.24 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.84