#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 0.12 0.00 -1.23 0.00 -1.26 -4.94 105.19 97.88 1a3p n GLY 5 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.01 135.00 130.30 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 -3.73 3.54 7.64 -1.26 -4.03 113.62 115.78 1a3p n SER 8 Ca 0.00 0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.75 1a3p n SER 8 Cb 0.00 -0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -5.00 0.03 0.00 6.43 1.04 -1.26 -5.02 113.70 109.92 1a3p s SER 9 Ca -0.00 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.82 1a3p s SER 9 Cb 0.00 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.48 1a3p s SER 9 CO 0.01 -0.17 1.03 0.00 0.98 0.00 0.00 173.24 175.08 1a3p n TYR 10 N 4.46 0.13 -2.23 5.02 4.11 -1.26 -4.90 117.16 122.49 1a3p n TYR 10 Ca -0.22 -0.45 -0.41 0.00 -0.00 0.00 0.00 57.90 56.83 1a3p n TYR 10 Cb 0.51 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.34 39.79 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 -0.93 6.92 -1.43 9.48 2.15 -1.26 -2.64 116.67 128.97 1a3p s ASP 11 Ca 0.07 2.51 -0.17 0.00 0.43 0.00 0.00 52.55 55.38 1a3p s ASP 11 Cb 0.04 -2.63 0.17 0.00 -0.30 0.00 0.00 42.92 40.19 1a3p s ASP 11 CO 0.05 -0.44 0.48 0.61 -0.17 0.00 0.00 175.17 175.69 1a3p n GLY 12 N 1.37 -0.43 0.07 2.66 0.00 -1.26 -4.79 105.19 102.82 1a3p n GLY 12 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.74 0.62 -4.35 1.61 4.19 -1.08 -4.89 117.16 109.51 1a3p n TYR 13 Ca 0.08 0.18 -0.27 0.00 3.31 0.00 0.00 57.90 61.21 1a3p n TYR 13 Cb 0.47 -0.72 -0.10 0.00 0.49 0.00 0.00 39.34 39.48 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 0.08 2.38 0.00 0.00 7.94 0.56 -4.97 117.00 123.00 1a3p n LEU 15 Ca -0.11 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1a3p n LEU 15 Cb 0.56 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1a3p n LEU 15 CO 0.33 0.68 0.00 0.59 -1.11 0.00 0.00 177.39 177.88 1a3p n ASN 16 N -2.86 0.00 0.29 1.96 3.02 -1.25 -4.92 115.26 111.49 1a3p n ASN 16 Ca -0.27 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.44 1a3p n ASN 16 Cb 0.82 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.89 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 -1.65 7.41 0.00 -1.88 -3.46 103.07 103.49 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 -1.06 0.00 0.00 4.60 0.00 -1.25 -4.70 105.19 102.78 1a3p n GLY 18 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.19 0.00 0.00 1.61 0.31 -0.98 -4.79 118.33 114.30 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 -1.83 5.55 0.00 0.23 0.42 117.12 121.49 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 1.66 -0.30 3.17 2.46 -1.26 -1.96 115.29 119.06 1a3p s HIS 22 Ca 0.00 -0.13 0.11 0.00 0.47 0.00 0.00 55.06 55.51 1a3p s HIS 22 Cb 0.00 -4.09 0.71 0.00 -0.13 0.00 0.00 32.58 29.07 1a3p s HIS 22 CO 0.00 -4.74 1.73 1.51 -2.47 0.00 0.00 174.74 170.77 1a3p n ILE 23 N 5.45 2.81 -0.22 0.89 0.13 0.58 -4.67 119.36 124.34 1a3p n ILE 23 Ca 0.18 -1.74 0.18 0.00 -1.10 0.00 0.00 62.75 60.27 1a3p n ILE 23 Cb 0.42 -0.33 0.34 0.00 -0.84 0.00 0.00 39.64 39.22 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 -0.21 -0.04 -0.19 9.51 0.00 0.13 0.44 120.64 130.28 1a3p n GLU 24 Ca 0.37 0.96 0.08 0.00 0.00 0.00 0.00 57.16 58.56 1a3p n GLU 24 Cb 1.28 -1.65 0.16 0.00 0.00 0.00 0.00 31.44 31.23 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 -4.64 -0.06 -0.03 4.31 7.64 -1.26 -1.49 113.62 118.09 1a3p n SER 25 Ca 0.23 0.93 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 1a3p n SER 25 Cb 0.76 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 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 -4.66 1.65 0.00 -3.43 -0.00 0.17 -5.06 117.00 105.67 1a3p n LEU 26 Ca 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1a3p n LEU 26 Cb 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1a3p n LEU 26 CO -0.04 0.38 0.00 0.47 -0.00 0.00 0.00 177.39 178.20 1a3p n ASP 27 N -2.45 0.00 0.00 1.45 8.00 0.36 -5.15 116.55 118.77 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 -0.72 0.46 -4.81 -2.24 3.41 -1.24 -4.38 113.62 104.11 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 1.85 3.50 0.33 7.33 5.04 -1.26 0.22 117.35 134.35 1a3p s TYR 29 Ca 0.00 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 1a3p s TYR 29 Cb 0.00 -2.02 -0.00 0.00 0.35 0.00 0.00 41.96 40.28 1a3p s TYR 29 CO 0.00 0.54 0.41 -2.37 -1.34 0.00 0.00 175.55 172.79 1a3p n THR 30 N 2.62 0.00 -4.40 4.34 5.66 -0.83 -4.73 114.28 116.95 1a3p n THR 30 Ca -0.18 -1.82 -0.26 0.00 -3.05 0.00 0.00 64.05 58.73 1a3p n THR 30 Cb 0.54 1.06 -0.12 0.00 -1.55 0.00 0.00 70.33 70.26 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 -2.56 5.64 0.39 0.00 2.47 0.17 -4.71 114.94 116.34 1a3p s ASN 32 Ca 0.18 -1.55 -0.07 0.00 0.42 0.00 0.00 52.86 51.84 1a3p s ASN 32 Cb -0.08 -1.99 -0.05 0.00 -1.45 0.00 0.00 41.25 37.68 1a3p s ASN 32 CO 0.09 -0.55 0.70 0.00 -3.72 0.00 0.00 177.10 173.61 1a3p n VAL 34 N -1.53 0.03 0.16 0.00 3.14 -1.22 -4.77 118.33 114.15 1a3p n VAL 34 Ca 0.00 -0.01 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 1a3p n VAL 34 Cb 0.54 -0.99 0.59 0.00 -1.06 0.00 0.00 33.84 32.92 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 -1.89 0.11 0.00 1.55 6.09 -1.97 0.36 117.51 121.77 1a3p h ILE 35 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1a3p h ILE 35 Cb 1.27 0.43 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1a3p h ILE 35 CO 0.41 0.00 -1.09 0.61 -3.07 0.00 0.00 178.15 175.01 1a3p n GLY 36 N -1.44 -1.05 2.98 8.18 0.00 0.13 -4.59 105.19 109.41 1a3p n GLY 36 Ca 0.06 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 1.83 0.00 1.61 2.02 0.12 0.31 117.35 120.16 1a3p s TYR 37 Ca 0.06 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1a3p s TYR 37 Cb 0.16 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1a3p s TYR 37 CO 0.85 -0.55 0.00 0.45 -1.57 0.00 0.00 175.55 174.73 1a3p n SER 38 N 4.66 0.00 0.00 2.29 2.88 -0.43 -3.41 113.62 119.61 1a3p n SER 38 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1a3p n SER 38 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 1.92 2.19 0.00 0.46 0.00 -1.26 -0.94 105.19 107.55 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 -4.85 116.55 114.08 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 0.11 -2.30 -0.67 0.00 -1.16 -3.87 116.66 107.24 1a3p n ARG 41 Ca 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.85 57.69 1a3p n ARG 41 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.01 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 -2.07 0.12 -3.89 0.00 0.00 -1.17 -4.08 117.38 106.29 1a3p n GLN 43 Ca -0.11 0.03 -0.29 0.00 0.00 0.00 0.00 57.00 56.64 1a3p n GLN 43 Cb 0.58 -1.57 -0.13 0.00 0.00 0.00 0.00 30.24 29.12 1a3p n GLN 43 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1a3p s THR 44 N -3.07 2.53 -1.04 -0.39 -1.32 -1.25 -5.00 115.64 106.10 1a3p s THR 44 Ca 0.09 -3.60 -0.23 0.00 -1.21 0.00 0.00 61.69 56.75 1a3p s THR 44 Cb 0.16 -2.72 0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1a3p s THR 44 CO 0.69 -0.90 1.56 -0.13 -2.21 0.00 0.00 174.62 173.63 1a3p s ARG 45 N -0.67 3.47 0.65 7.08 0.52 -1.26 -1.31 118.95 127.42 1a3p s ARG 45 Ca 0.21 -1.10 0.42 0.00 -0.52 0.00 0.00 55.73 54.73 1a3p s ARG 45 Cb -0.17 -5.34 2.27 0.00 0.52 0.00 0.00 34.95 32.24 1a3p s ARG 45 CO -0.07 -2.42 2.33 0.22 0.02 0.00 0.00 175.30 175.38 1a3p h ASP 46 N 9.76 0.00 -0.79 0.23 3.58 0.46 -3.46 116.42 126.19 1a3p h ASP 46 Ca 0.21 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.50 1a3p h ASP 46 Cb 0.99 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 1a3p h ASP 46 CO 1.40 0.00 -0.18 0.18 -2.88 0.00 0.00 179.24 177.76 1a3p n LEU 47 N -3.17 -1.01 -0.88 2.28 7.99 0.11 -4.98 117.00 117.33 1a3p n LEU 47 Ca -0.03 0.08 0.11 0.00 -0.01 0.00 0.00 56.01 56.17 1a3p n LEU 47 Cb 0.10 -1.41 0.09 0.00 -0.11 0.00 0.00 43.42 42.09 1a3p n LEU 47 CO 0.22 -0.23 0.60 0.54 -1.51 0.00 0.00 177.39 177.01