#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 0.49 0.00 0.55 0.00 -1.26 -4.67 105.19 100.30 1a3p n GLY 5 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.01 1.61 -0.04 -1.26 -4.99 135.00 130.31 1a3p n PRO 7 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1a3p n PRO 7 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 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 0.00 0.30 -3.67 3.54 2.88 -1.26 -4.94 113.62 110.47 1a3p n SER 8 Ca 0.00 -0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 1a3p n SER 8 Cb 0.00 1.88 -0.09 0.00 -0.75 0.00 0.00 64.21 65.25 1a3p n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1a3p s SER 9 N -4.29 -0.68 0.00 -3.46 0.01 -1.26 -5.04 113.70 98.98 1a3p s SER 9 Ca -0.07 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1a3p s SER 9 Cb 0.13 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.46 1a3p s SER 9 CO 0.86 -0.21 0.82 0.00 0.41 0.00 0.00 173.24 175.12 1a3p n TYR 10 N 4.40 0.00 -2.23 2.43 0.18 -1.26 -4.95 117.16 115.74 1a3p n TYR 10 Ca -0.21 -0.34 -0.39 0.00 1.88 0.00 0.00 57.90 58.84 1a3p n TYR 10 Cb 0.56 -0.03 -0.02 0.00 -0.38 0.00 0.00 39.34 39.47 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 -0.68 6.58 -1.76 9.48 -1.08 -1.26 -2.69 116.67 125.26 1a3p s ASP 11 Ca 0.00 2.46 -0.22 0.00 -0.52 0.00 0.00 52.55 54.27 1a3p s ASP 11 Cb 0.00 -2.63 0.22 0.00 -1.46 0.00 0.00 42.92 39.06 1a3p s ASP 11 CO 0.00 -0.64 0.56 0.61 0.52 0.00 0.00 175.17 176.22 1a3p n GLY 12 N 0.72 -0.40 0.06 2.66 0.00 -1.26 -4.79 105.19 102.19 1a3p n GLY 12 Ca 0.03 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.93 0.49 -4.44 1.61 4.19 -1.10 -4.91 117.16 109.08 1a3p n TYR 13 Ca 0.11 0.14 -0.25 0.00 3.31 0.00 0.00 57.90 61.21 1a3p n TYR 13 Cb 0.45 -0.62 -0.11 0.00 0.49 0.00 0.00 39.34 39.55 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 -0.20 2.51 0.00 0.00 4.32 0.12 -4.98 117.00 118.77 1a3p n LEU 15 Ca -0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1a3p n LEU 15 Cb 0.58 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1a3p n LEU 15 CO 0.34 0.63 0.00 0.59 -1.22 0.00 0.00 177.39 177.73 1a3p n ASN 16 N -2.77 0.00 0.22 -1.43 3.02 -1.25 -4.91 115.26 108.13 1a3p n ASN 16 Ca -0.20 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.50 1a3p n ASN 16 Cb 0.74 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.54 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 -0.91 7.41 0.00 -1.87 -3.46 103.07 104.23 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 -0.05 0.00 0.00 4.60 0.00 -1.25 -4.63 105.19 103.86 1a3p n GLY 18 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.11 0.00 0.00 1.61 0.31 -0.35 -4.78 118.33 115.01 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 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.16 0.00 -3.90 5.55 0.00 -0.06 0.38 117.12 118.94 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 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 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 3.30 -0.28 3.17 2.46 -1.26 -1.42 115.29 119.26 1a3p s HIS 22 Ca 0.00 0.15 0.15 0.00 0.47 0.00 0.00 55.06 55.84 1a3p s HIS 22 Cb 0.00 -2.12 0.68 0.00 -0.13 0.00 0.00 32.58 31.01 1a3p s HIS 22 CO 0.00 0.18 1.59 1.51 -2.47 0.00 0.00 174.74 175.55 1a3p n ILE 23 N 3.59 2.47 -0.16 0.89 0.13 0.44 -4.74 119.36 121.99 1a3p n ILE 23 Ca -0.16 -1.60 0.03 0.00 -1.10 0.00 0.00 62.75 59.92 1a3p n ILE 23 Cb 0.52 -0.23 0.07 0.00 -0.84 0.00 0.00 39.64 39.16 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 0.15 -0.04 -0.19 9.51 0.00 0.15 0.17 120.64 130.39 1a3p n GLU 24 Ca 0.25 0.71 0.13 0.00 0.00 0.00 0.00 57.16 58.24 1a3p n GLU 24 Cb 1.03 -1.06 0.24 0.00 0.00 0.00 0.00 31.44 31.66 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 0.05 -0.03 4.31 7.64 -1.26 -1.17 113.62 118.42 1a3p n SER 25 Ca 0.07 0.96 -0.04 0.00 1.01 0.00 0.00 58.87 60.88 1a3p n SER 25 Cb 0.23 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.53 0.80 0.00 -3.43 -0.00 0.13 -5.06 117.00 104.92 1a3p n LEU 26 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1a3p n LEU 26 Cb 0.57 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1a3p n LEU 26 CO -0.02 0.29 0.00 0.47 -0.00 0.00 0.00 177.39 178.13 1a3p n ASP 27 N -2.38 0.00 0.00 1.45 8.00 -0.21 -5.15 116.55 118.27 1a3p n ASP 27 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1a3p n ASP 27 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.99 1.47 -4.85 -2.24 3.41 -1.24 -4.51 113.62 104.66 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 0.90 3.64 0.05 7.33 5.04 -1.26 0.17 117.35 133.22 1a3p s TYR 29 Ca 0.00 0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1a3p s TYR 29 Cb 0.00 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1a3p s TYR 29 CO 0.00 0.67 0.06 -2.37 -1.34 0.00 0.00 175.55 172.57 1a3p n THR 30 N 2.01 0.00 -4.29 4.34 5.66 -0.51 -4.73 114.28 116.77 1a3p n THR 30 Ca -0.17 -0.26 -0.23 0.00 -3.05 0.00 0.00 64.05 60.34 1a3p n THR 30 Cb 0.54 0.16 -0.12 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.08 5.58 0.67 0.00 2.47 0.16 -4.69 114.94 117.05 1a3p s ASN 32 Ca 0.08 -1.67 -0.04 0.00 0.42 0.00 0.00 52.86 51.65 1a3p s ASN 32 Cb -0.09 -1.96 0.06 0.00 -1.45 0.00 0.00 41.25 37.81 1a3p s ASN 32 CO 0.05 -0.57 0.96 0.00 -3.72 0.00 0.00 177.10 173.82 1a3p s VAL 34 N -3.14 2.67 0.41 0.00 0.11 -1.19 -4.80 120.40 114.46 1a3p s VAL 34 Ca 0.60 0.22 0.24 0.00 -2.93 0.00 0.00 61.98 60.11 1a3p s VAL 34 Cb -0.10 -2.60 0.24 0.00 -1.53 0.00 0.00 36.38 32.39 1a3p s VAL 34 CO 0.43 -0.28 1.71 -0.29 -3.33 0.00 0.00 175.10 173.34 1a3p h ILE 35 N -1.60 0.00 0.00 7.04 2.10 -1.98 0.13 117.51 123.20 1a3p h ILE 35 Ca -0.48 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.38 1a3p h ILE 35 Cb 1.27 0.54 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 1a3p h ILE 35 CO 0.52 0.00 -2.08 0.61 -1.08 0.00 0.00 178.15 176.11 1a3p n GLY 36 N -1.24 -1.00 3.25 8.18 0.00 -1.26 -4.91 105.19 108.21 1a3p n GLY 36 Ca -0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.29 2.60 0.00 1.61 2.02 0.47 0.27 117.35 121.02 1a3p s TYR 37 Ca -0.08 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.65 1a3p s TYR 37 Cb 0.12 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1a3p s TYR 37 CO 0.89 -0.37 0.00 0.45 -1.57 0.00 0.00 175.55 174.95 1a3p n SER 38 N 3.50 0.32 0.00 2.29 2.88 -0.16 -3.19 113.62 119.25 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 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 1.77 0.00 0.46 0.00 -1.26 -1.43 105.19 104.73 1a3p n GLY 39 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.91 0.00 0.00 1.61 8.00 -1.26 -4.97 116.55 121.83 1a3p n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a3p n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a3p n ASP 40 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1a3p n ARG 41 N 0.00 0.00 -2.49 -1.24 0.00 -1.15 -3.71 116.66 108.07 1a3p n ARG 41 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1a3p n ARG 41 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 32.46 32.33 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 -0.43 0.00 -3.33 0.00 3.07 -1.91 -3.36 115.11 109.15 1a3p h GLN 43 Ca -0.17 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 57.94 1a3p h GLN 43 Cb 1.11 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.26 1a3p h GLN 43 CO 0.18 0.00 -0.62 -0.08 0.09 0.00 0.00 178.83 178.40 1a3p s THR 44 N -3.26 2.64 -0.81 1.86 -1.32 -1.25 -5.00 115.64 108.50 1a3p s THR 44 Ca 0.03 -3.49 -0.24 0.00 -1.21 0.00 0.00 61.69 56.79 1a3p s THR 44 Cb 0.11 -2.82 0.06 0.00 -1.51 0.00 0.00 72.50 68.34 1a3p s THR 44 CO 0.75 -0.83 1.21 -0.13 -2.21 0.00 0.00 174.62 173.41 1a3p s ARG 45 N -0.49 3.32 -1.39 7.08 0.52 -1.26 -0.99 118.95 125.73 1a3p s ARG 45 Ca 0.18 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1a3p s ARG 45 Cb -0.22 -4.57 0.09 0.00 0.52 0.00 0.00 34.95 30.77 1a3p s ARG 45 CO -0.03 -2.02 2.10 -3.47 0.02 0.00 0.00 175.30 171.90 1a3p n ASP 46 N 8.44 4.48 -4.73 0.23 2.03 0.76 -4.90 116.55 122.86 1a3p n ASP 46 Ca 0.11 -2.95 -0.62 0.00 0.52 0.00 0.00 54.79 51.85 1a3p n ASP 46 Cb 0.48 -1.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.22 1a3p n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a3p n LEU 47 N 5.10 1.84 0.00 -2.67 4.32 -1.23 -4.51 117.00 119.84 1a3p n LEU 47 Ca 0.48 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.59 1a3p n LEU 47 Cb 0.37 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1a3p n LEU 47 CO 0.86 -0.63 0.10 -2.11 -1.22 0.00 0.00 177.39 174.39