#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 0.35 0.96 0.55 0.00 -1.26 -4.71 105.19 101.08 1a3p n GLY 5 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.03 1.61 -0.04 -1.26 -5.02 135.00 130.26 1a3p n PRO 7 Ca 0.00 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1a3p n PRO 7 Cb 0.00 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 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 0.96 0.18 -3.66 3.54 2.88 -1.26 -4.93 113.62 111.34 1a3p n SER 8 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1a3p n SER 8 Cb 0.19 1.78 -0.08 0.00 -0.75 0.00 0.00 64.21 65.36 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 -4.61 -0.76 -0.18 -3.46 0.15 -1.26 -5.04 113.70 98.53 1a3p s SER 9 Ca -0.08 1.29 0.13 0.00 0.70 0.00 0.00 55.95 57.99 1a3p s SER 9 Cb 0.12 1.45 0.43 0.00 -1.71 0.00 0.00 66.02 66.30 1a3p s SER 9 CO 0.86 -0.22 1.21 0.00 1.20 0.00 0.00 173.24 176.29 1a3p n TYR 10 N 4.77 0.20 -3.82 3.44 0.18 -1.26 -4.89 117.16 115.78 1a3p n TYR 10 Ca -0.17 -1.40 -0.36 0.00 1.88 0.00 0.00 57.90 57.86 1a3p n TYR 10 Cb 0.54 -0.24 -0.07 0.00 -0.38 0.00 0.00 39.34 39.19 1a3p n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1a3p s ASP 11 N -3.07 6.22 -1.40 9.48 2.15 -1.26 -4.08 116.67 124.70 1a3p s ASP 11 Ca 0.38 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1a3p s ASP 11 Cb 0.38 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 1a3p s ASP 11 CO -0.08 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 1a3p n GLY 12 N 2.90 -0.35 0.09 2.66 0.00 -1.26 -4.81 105.19 104.41 1a3p n GLY 12 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.55 0.87 -4.39 1.61 4.19 -1.26 -4.89 117.16 109.75 1a3p n TYR 13 Ca -0.19 0.28 -0.29 0.00 3.31 0.00 0.00 57.90 61.01 1a3p n TYR 13 Cb 0.64 -1.01 -0.13 0.00 0.49 0.00 0.00 39.34 39.32 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 0.84 2.24 0.05 0.00 4.77 0.25 -4.97 117.00 120.18 1a3p n LEU 15 Ca -0.17 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1a3p n LEU 15 Cb 0.53 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1a3p n LEU 15 CO 0.24 0.62 0.00 0.59 -1.33 0.00 0.00 177.39 177.51 1a3p n ASN 16 N -2.78 -0.51 0.25 -1.43 3.02 -1.25 -4.91 115.26 107.64 1a3p n ASN 16 Ca -0.23 0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.63 1a3p n ASN 16 Cb 0.79 0.68 0.48 0.00 -0.61 0.00 0.00 39.78 41.12 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 0.00 0.00 7.41 0.00 -1.85 -3.46 103.07 105.16 1a3p h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a3p h GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1a3p n GLY 18 N 0.44 0.00 0.00 4.60 0.00 -1.23 -4.56 105.19 104.44 1a3p n GLY 18 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 0.00 1.61 0.31 0.76 -4.79 118.33 116.22 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 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.14 -3.97 5.55 0.00 0.86 -0.31 117.12 119.10 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 -0.13 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 -2.00 3.05 -0.43 3.17 2.46 -1.26 -1.01 115.29 119.28 1a3p s HIS 22 Ca 0.00 -0.49 0.15 0.00 0.47 0.00 0.00 55.06 55.19 1a3p s HIS 22 Cb 0.00 -2.12 0.72 0.00 -0.13 0.00 0.00 32.58 31.04 1a3p s HIS 22 CO 0.00 -0.29 1.63 1.51 -2.47 0.00 0.00 174.74 175.12 1a3p n ILE 23 N 4.45 2.42 -0.11 0.89 0.13 0.56 -4.71 119.36 122.98 1a3p n ILE 23 Ca -0.17 -1.47 0.01 0.00 -1.10 0.00 0.00 62.75 60.01 1a3p n ILE 23 Cb 0.52 -0.17 0.02 0.00 -0.84 0.00 0.00 39.64 39.17 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 0.44 -0.05 -0.10 9.51 0.00 0.20 0.23 120.64 130.86 1a3p n GLU 24 Ca 0.25 0.46 0.02 0.00 0.00 0.00 0.00 57.16 57.90 1a3p n GLU 24 Cb 1.04 -0.68 0.05 0.00 0.00 0.00 0.00 31.44 31.85 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 -4.46 -0.09 -0.05 4.31 7.64 -1.26 -0.54 113.62 119.17 1a3p n SER 25 Ca 0.04 0.50 -0.06 0.00 1.01 0.00 0.00 58.87 60.35 1a3p n SER 25 Cb 0.13 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 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 -4.42 1.47 0.00 -3.43 -0.00 0.13 -5.04 117.00 105.71 1a3p n LEU 26 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1a3p n LEU 26 Cb 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1a3p n LEU 26 CO -0.03 0.46 0.00 0.47 -0.00 0.00 0.00 177.39 178.29 1a3p n ASP 27 N -2.59 0.00 0.00 1.45 8.00 0.30 -5.16 116.55 118.55 1a3p n ASP 27 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1a3p n ASP 27 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 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 -0.92 0.47 -4.86 -2.24 3.41 -1.24 -4.45 113.62 103.80 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 1.00 3.66 0.28 7.33 5.04 -1.26 0.21 117.35 133.60 1a3p s TYR 29 Ca 0.00 0.77 -0.10 0.00 -2.44 0.00 0.00 57.07 55.29 1a3p s TYR 29 Cb 0.00 -2.12 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 1a3p s TYR 29 CO 0.00 0.67 0.49 -0.08 -1.34 0.00 0.00 175.55 175.29 1a3p s THR 30 N -1.09 0.00 -0.11 4.34 -1.32 -0.18 -4.73 115.64 112.56 1a3p s THR 30 Ca 0.21 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.27 1a3p s THR 30 Cb -0.14 -2.35 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1a3p s THR 30 CO 0.10 0.00 -0.17 0.00 -2.21 0.00 0.00 174.62 172.34 1a3p s ASN 32 N 0.19 6.63 0.00 0.00 2.47 0.58 -4.48 114.94 120.33 1a3p s ASN 32 Ca -0.10 0.77 0.00 0.00 0.42 0.00 0.00 52.86 53.94 1a3p s ASN 32 Cb -0.16 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1a3p s ASN 32 CO 0.06 -0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.12 1a3p s VAL 34 N 1.34 0.04 0.61 0.00 0.11 -0.21 -4.65 120.40 117.64 1a3p s VAL 34 Ca 0.00 -0.91 0.26 0.00 -2.93 0.00 0.00 61.98 58.40 1a3p s VAL 34 Cb 0.00 -1.62 0.34 0.00 -1.53 0.00 0.00 36.38 33.57 1a3p s VAL 34 CO 0.00 -0.17 1.65 -0.29 -3.33 0.00 0.00 175.10 172.96 1a3p h ILE 35 N 2.28 0.17 0.00 7.04 2.10 -1.93 0.40 117.51 127.57 1a3p h ILE 35 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1a3p h ILE 35 Cb 1.25 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1a3p h ILE 35 CO 0.40 0.00 -1.78 0.61 -1.08 0.00 0.00 178.15 176.30 1a3p n GLY 36 N -1.52 -1.00 3.02 8.18 0.00 -1.25 -4.88 105.19 107.73 1a3p n GLY 36 Ca 0.10 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.41 1.51 0.00 1.61 2.02 0.14 0.34 117.35 119.56 1a3p s TYR 37 Ca -0.05 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 1a3p s TYR 37 Cb 0.14 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1a3p s TYR 37 CO 0.90 -0.32 0.00 0.45 -1.57 0.00 0.00 175.55 175.01 1a3p n SER 38 N 3.96 0.00 0.00 2.29 2.88 -0.28 -1.05 113.62 121.42 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 2.31 2.25 0.00 0.46 0.00 -1.26 -1.76 105.19 107.19 1a3p n GLY 39 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1a3p n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3p n ASP 40 N 2.56 0.00 0.00 1.61 9.92 -1.26 -4.97 116.55 124.42 1a3p n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1a3p n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1a3p n ARG 41 N 0.00 3.04 -1.73 -1.24 0.00 -1.18 -3.49 116.66 112.06 1a3p n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a3p n ARG 41 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 32.46 31.50 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 0.00 0.00 -3.44 0.00 -0.00 -1.92 -3.38 115.11 106.37 1a3p h GLN 43 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 58.65 57.94 1a3p h GLN 43 Cb 0.72 0.00 -0.35 0.00 -0.00 0.00 0.00 27.48 27.86 1a3p h GLN 43 CO 0.00 0.20 -0.16 -0.08 -0.00 0.00 0.00 178.83 178.79 1a3p s THR 44 N -3.10 4.27 -1.08 1.86 -1.32 -1.26 -4.94 115.64 110.07 1a3p s THR 44 Ca -0.01 -3.46 -0.21 0.00 -1.21 0.00 0.00 61.69 56.80 1a3p s THR 44 Cb 0.09 -3.69 0.07 0.00 -1.51 0.00 0.00 72.50 67.46 1a3p s THR 44 CO 0.79 -1.02 1.48 -0.13 -2.21 0.00 0.00 174.62 173.53 1a3p s ARG 45 N -0.82 3.70 0.59 7.08 0.52 -1.26 -1.13 118.95 127.63 1a3p s ARG 45 Ca 0.23 -1.43 0.29 0.00 -0.52 0.00 0.00 55.73 54.30 1a3p s ARG 45 Cb -0.12 -5.35 1.74 0.00 0.52 0.00 0.00 34.95 31.74 1a3p s ARG 45 CO -0.09 -2.16 2.20 0.22 0.02 0.00 0.00 175.30 175.48 1a3p h ASP 46 N 9.13 0.00 0.00 0.23 3.58 0.53 -3.47 116.42 126.42 1a3p h ASP 46 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1a3p h ASP 46 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1a3p h ASP 46 CO 1.40 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 177.65 1a3p n LEU 47 N -3.87 0.00 0.00 2.28 0.00 0.17 -4.98 117.00 110.60 1a3p n LEU 47 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1a3p n LEU 47 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.59 1a3p n LEU 47 CO 0.28 0.00 0.00 0.54 0.00 0.00 0.00 177.39 178.21