#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 0.11 0.00 -1.23 0.00 -1.26 -4.91 105.19 97.90 1a3p n GLY 5 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -5.02 135.00 130.31 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 -3.75 2.55 7.64 -1.26 -3.90 113.62 114.90 1a3p n SER 8 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 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 -0.55 -3.01 0.00 0.00 175.04 171.48 1a3p s SER 9 N -4.98 0.38 -0.22 6.43 0.15 -1.26 -5.00 113.70 109.20 1a3p s SER 9 Ca 0.00 0.04 0.12 0.00 0.70 0.00 0.00 55.95 56.81 1a3p s SER 9 Cb 0.00 -0.10 0.44 0.00 -1.71 0.00 0.00 66.02 64.65 1a3p s SER 9 CO 0.00 -0.16 1.20 0.00 1.20 0.00 0.00 173.24 175.48 1a3p n TYR 10 N 4.47 1.01 -3.75 3.44 4.11 -1.25 -4.87 117.16 120.32 1a3p n TYR 10 Ca -0.21 -1.68 -0.35 0.00 -0.00 0.00 0.00 57.90 55.65 1a3p n TYR 10 Cb 0.50 -0.27 -0.08 0.00 -0.00 0.00 0.00 39.34 39.49 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1a3p s ASP 11 N -3.27 6.22 -1.86 9.48 1.11 -1.26 -4.26 116.67 122.83 1a3p s ASP 11 Ca 0.41 0.25 -0.23 0.00 0.18 0.00 0.00 52.55 53.16 1a3p s ASP 11 Cb 0.38 -2.09 0.22 0.00 1.07 0.00 0.00 42.92 42.51 1a3p s ASP 11 CO -0.04 0.20 0.61 0.61 1.18 0.00 0.00 175.17 177.72 1a3p n GLY 12 N 3.38 -0.40 0.10 0.21 0.00 -1.26 -4.78 105.19 102.44 1a3p n GLY 12 Ca -0.16 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.11 0.84 -4.30 1.61 4.19 -1.26 -4.90 117.16 109.22 1a3p n TYR 13 Ca 0.10 0.26 -0.26 0.00 3.31 0.00 0.00 57.90 61.31 1a3p n TYR 13 Cb 0.46 -0.95 -0.09 0.00 0.49 0.00 0.00 39.34 39.25 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 -0.05 2.13 0.00 0.00 7.94 0.74 -4.98 117.00 122.78 1a3p n LEU 15 Ca -0.10 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1a3p n LEU 15 Cb 0.56 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1a3p n LEU 15 CO 0.35 0.65 0.00 0.59 -1.11 0.00 0.00 177.39 177.88 1a3p n ASN 16 N -2.85 0.00 0.20 1.96 3.02 -1.25 -4.92 115.26 111.41 1a3p n ASN 16 Ca -0.27 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1a3p n ASN 16 Cb 0.85 0.00 0.81 0.00 -0.61 0.00 0.00 39.78 40.83 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 -1.91 7.41 0.00 -1.88 -3.45 103.07 103.23 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 -1.43 0.00 0.00 4.60 0.00 -1.25 -4.66 105.19 102.45 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 -0.22 0.00 0.00 1.61 0.31 -0.72 -4.79 118.33 114.52 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 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 -1.80 5.55 0.00 0.25 0.48 117.12 121.60 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 -0.30 3.17 2.46 -1.26 -1.90 115.29 119.17 1a3p s HIS 22 Ca 0.00 -0.14 0.10 0.00 0.47 0.00 0.00 55.06 55.50 1a3p s HIS 22 Cb 0.00 -4.12 0.67 0.00 -0.13 0.00 0.00 32.58 29.00 1a3p s HIS 22 CO 0.00 -4.82 1.70 1.51 -2.47 0.00 0.00 174.74 170.65 1a3p n ILE 23 N 5.31 2.79 -0.24 0.89 0.13 0.52 -4.68 119.36 124.09 1a3p n ILE 23 Ca 0.18 -1.90 0.24 0.00 -1.10 0.00 0.00 62.75 60.18 1a3p n ILE 23 Cb 0.41 -0.34 0.44 0.00 -0.84 0.00 0.00 39.64 39.30 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 -0.47 -0.04 -0.22 9.51 0.00 0.11 0.43 120.64 129.97 1a3p n GLU 24 Ca 0.38 1.02 0.10 0.00 0.00 0.00 0.00 57.16 58.65 1a3p n GLU 24 Cb 1.27 -1.83 0.19 0.00 0.00 0.00 0.00 31.44 31.07 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 -4.66 -0.06 -0.03 4.31 7.64 -1.26 -1.72 113.62 117.85 1a3p n SER 25 Ca 0.28 1.07 -0.03 0.00 1.01 0.00 0.00 58.87 61.20 1a3p n SER 25 Cb 0.96 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 -4.80 1.36 0.00 -3.43 -0.00 0.17 -5.07 117.00 105.23 1a3p n LEU 26 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1a3p n LEU 26 Cb 0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1a3p n LEU 26 CO -0.04 0.33 0.00 0.47 -0.00 0.00 0.00 177.39 178.15 1a3p n ASP 27 N -2.40 0.00 0.00 1.45 8.00 0.33 -5.15 116.55 118.78 1a3p n ASP 27 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1a3p n ASP 27 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.80 0.49 -4.84 -2.24 3.41 -1.24 -4.41 113.62 103.99 1a3p n SER 28 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1a3p n SER 28 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.88 3.54 0.23 7.33 5.04 -1.26 0.20 117.35 134.30 1a3p s TYR 29 Ca 0.00 0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.09 1a3p s TYR 29 Cb 0.00 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.32 1a3p s TYR 29 CO 0.00 0.62 0.32 -2.37 -1.34 0.00 0.00 175.55 172.78 1a3p n THR 30 N 2.38 0.00 -4.40 4.34 5.66 -0.80 -4.70 114.28 116.76 1a3p n THR 30 Ca -0.19 -1.18 -0.24 0.00 -3.05 0.00 0.00 64.05 59.39 1a3p n THR 30 Cb 0.54 0.72 -0.11 0.00 -1.55 0.00 0.00 70.33 69.93 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 -2.83 5.45 0.63 0.00 2.47 0.18 -4.76 114.94 116.08 1a3p s ASN 32 Ca 0.21 -1.60 -0.03 0.00 0.42 0.00 0.00 52.86 51.86 1a3p s ASN 32 Cb -0.06 -1.92 0.05 0.00 -1.45 0.00 0.00 41.25 37.87 1a3p s ASN 32 CO 0.09 -0.51 0.90 0.00 -3.72 0.00 0.00 177.10 173.87 1a3p s VAL 34 N -3.01 3.18 0.64 0.00 0.11 -1.22 -4.83 120.40 115.28 1a3p s VAL 34 Ca 0.59 0.40 0.22 0.00 -2.93 0.00 0.00 61.98 60.25 1a3p s VAL 34 Cb -0.11 -2.84 0.25 0.00 -1.53 0.00 0.00 36.38 32.15 1a3p s VAL 34 CO 0.42 -0.49 1.62 -0.29 -3.33 0.00 0.00 175.10 173.03 1a3p h ILE 35 N -1.11 0.07 -0.20 7.04 2.10 -1.97 0.24 117.51 123.69 1a3p h ILE 35 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1a3p h ILE 35 Cb 1.24 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1a3p h ILE 35 CO 0.51 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.19 1a3p n GLY 36 N -1.40 1.10 2.80 8.18 0.00 -1.26 -4.81 105.19 109.81 1a3p n GLY 36 Ca 0.03 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.21 1.03 0.00 1.61 2.02 0.84 0.29 117.35 121.93 1a3p s TYR 37 Ca 0.24 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1a3p s TYR 37 Cb 0.15 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 1a3p s TYR 37 CO 0.21 -0.47 0.00 0.45 -1.57 0.00 0.00 175.55 174.17 1a3p n SER 38 N 5.05 0.00 0.00 2.29 2.88 -0.27 -3.46 113.62 120.11 1a3p n SER 38 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1a3p n SER 38 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 1.87 1.70 0.00 0.46 0.00 -1.26 -0.88 105.19 107.07 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 -4.87 116.55 114.06 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 -1.54 0.04 -2.25 -0.67 0.00 -1.09 -3.98 116.66 107.17 1a3p n ARG 41 Ca 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.85 57.75 1a3p n ARG 41 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 32.46 32.09 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 -0.11 0.00 -3.20 0.00 3.07 -1.87 -3.37 115.11 109.64 1a3p h GLN 43 Ca -0.22 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 57.88 1a3p h GLN 43 Cb 1.16 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.31 1a3p h GLN 43 CO 0.26 0.00 -0.54 -0.08 0.09 0.00 0.00 178.83 178.56 1a3p s THR 44 N -3.18 2.97 -0.99 1.86 -1.32 -1.25 -4.98 115.64 108.74 1a3p s THR 44 Ca 0.06 -3.97 -0.23 0.00 -1.21 0.00 0.00 61.69 56.34 1a3p s THR 44 Cb 0.13 -2.96 0.03 0.00 -1.51 0.00 0.00 72.50 68.19 1a3p s THR 44 CO 0.73 -0.96 1.57 -0.13 -2.21 0.00 0.00 174.62 173.63 1a3p s ARG 45 N -1.11 3.34 0.44 7.08 0.52 -1.26 -1.12 118.95 126.85 1a3p s ARG 45 Ca 0.23 -0.93 0.30 0.00 -0.52 0.00 0.00 55.73 54.81 1a3p s ARG 45 Cb -0.11 -5.29 1.56 0.00 0.52 0.00 0.00 34.95 31.63 1a3p s ARG 45 CO -0.12 -2.50 1.92 0.22 0.02 0.00 0.00 175.30 174.85 1a3p h ASP 46 N 10.14 0.00 -2.07 0.23 1.82 0.40 -3.46 116.42 123.47 1a3p h ASP 46 Ca 0.18 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1a3p h ASP 46 Cb 1.01 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.03 1a3p h ASP 46 CO 1.38 0.00 -0.05 0.18 -1.61 0.00 0.00 179.24 179.13 1a3p n LEU 47 N -2.59 -2.14 0.00 2.28 4.77 0.79 -4.98 117.00 115.12 1a3p n LEU 47 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1a3p n LEU 47 Cb 0.10 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1a3p n LEU 47 CO 0.16 0.03 0.08 0.54 -1.33 0.00 0.00 177.39 176.87