#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 0.26 0.00 0.55 0.00 -1.26 -4.69 105.19 100.05 1a3p n GLY 5 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 0.21 1.61 -0.04 -1.26 -4.99 135.00 130.53 1a3p n PRO 7 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1a3p n PRO 7 Cb 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.64 1a3p n PRO 7 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a3p h SER 8 N 0.00 0.00 -3.35 3.54 0.87 -2.03 -3.45 113.55 109.13 1a3p h SER 8 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1a3p h SER 8 Cb 0.00 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 61.74 1a3p h SER 8 CO 0.00 0.08 -0.02 -0.55 -0.53 0.00 0.00 176.83 175.81 1a3p s SER 9 N -6.22 -0.80 -0.23 6.23 0.15 -1.26 -5.03 113.70 106.54 1a3p s SER 9 Ca 0.06 1.36 0.15 0.00 0.70 0.00 0.00 55.95 58.21 1a3p s SER 9 Cb 0.06 1.28 0.46 0.00 -1.71 0.00 0.00 66.02 66.11 1a3p s SER 9 CO 0.67 -0.23 1.17 0.00 1.20 0.00 0.00 173.24 176.05 1a3p n TYR 10 N 3.79 1.48 -3.77 3.44 0.18 -1.26 -4.92 117.16 116.10 1a3p n TYR 10 Ca -0.19 -1.85 -0.35 0.00 1.88 0.00 0.00 57.90 57.39 1a3p n TYR 10 Cb 0.57 -0.27 -0.08 0.00 -0.38 0.00 0.00 39.34 39.18 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1a3p s ASP 11 N -3.40 6.14 -1.05 9.48 1.11 -1.26 -4.25 116.67 123.46 1a3p s ASP 11 Ca 0.39 0.22 -0.07 0.00 0.18 0.00 0.00 52.55 53.27 1a3p s ASP 11 Cb 0.37 -2.07 0.06 0.00 1.07 0.00 0.00 42.92 42.35 1a3p s ASP 11 CO -0.03 0.19 0.31 0.61 1.18 0.00 0.00 175.17 177.42 1a3p n GLY 12 N 3.47 -0.48 0.10 0.21 0.00 -1.26 -4.79 105.19 102.44 1a3p n GLY 12 Ca -0.16 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.56 0.81 -4.42 1.61 4.19 -1.26 -4.89 117.16 109.63 1a3p n TYR 13 Ca -0.03 0.24 -0.25 0.00 3.31 0.00 0.00 57.90 61.17 1a3p n TYR 13 Cb 0.54 -0.89 -0.10 0.00 0.49 0.00 0.00 39.34 39.38 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 -0.42 2.00 0.00 0.00 7.94 0.25 -4.99 117.00 121.78 1a3p n LEU 15 Ca -0.07 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1a3p n LEU 15 Cb 0.59 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1a3p n LEU 15 CO 0.36 0.51 0.00 0.59 -1.11 0.00 0.00 177.39 177.75 1a3p n ASN 16 N -2.63 0.00 0.27 1.96 3.02 -1.25 -4.92 115.26 111.72 1a3p n ASN 16 Ca -0.16 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.53 1a3p n ASN 16 Cb 0.71 0.05 0.77 0.00 -0.61 0.00 0.00 39.78 40.71 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 -1.86 -3.45 103.07 105.17 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 -0.62 0.00 0.00 4.60 0.00 -1.23 -4.56 105.19 103.38 1a3p n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.82 -4.80 118.33 116.26 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 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.50 0.00 -2.05 5.55 0.00 0.20 -0.24 117.12 120.08 1a3p n MET 21 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 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 2.04 -0.31 3.17 2.46 -1.26 -1.57 115.29 119.82 1a3p s HIS 22 Ca 0.00 0.38 0.11 0.00 0.47 0.00 0.00 55.06 56.02 1a3p s HIS 22 Cb 0.00 -3.92 0.75 0.00 -0.13 0.00 0.00 32.58 29.28 1a3p s HIS 22 CO 0.00 -3.40 1.79 1.51 -2.47 0.00 0.00 174.74 172.17 1a3p n ILE 23 N 5.94 2.90 -0.16 0.89 0.13 0.55 -4.66 119.36 124.94 1a3p n ILE 23 Ca 0.18 -1.65 0.04 0.00 -1.10 0.00 0.00 62.75 60.22 1a3p n ILE 23 Cb 0.44 -0.34 0.08 0.00 -0.84 0.00 0.00 39.64 38.97 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 -0.08 -0.04 -0.11 9.51 0.00 0.20 0.32 120.64 130.43 1a3p n GLU 24 Ca 0.39 0.70 0.02 0.00 0.00 0.00 0.00 57.16 58.27 1a3p n GLU 24 Cb 1.35 -1.06 0.05 0.00 0.00 0.00 0.00 31.44 31.78 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 -4.69 -0.09 -0.04 4.31 7.64 -1.26 -0.66 113.62 118.83 1a3p n SER 25 Ca 0.08 0.52 -0.05 0.00 1.01 0.00 0.00 58.87 60.43 1a3p n SER 25 Cb 0.25 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 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 1.35 0.00 -3.43 -0.00 0.15 -5.05 117.00 105.58 1a3p n LEU 26 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a3p n LEU 26 Cb 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1a3p n LEU 26 CO -0.03 0.40 0.00 0.47 -0.00 0.00 0.00 177.39 178.23 1a3p n ASP 27 N -2.51 0.00 0.00 1.45 8.00 0.17 -5.15 116.55 118.51 1a3p n ASP 27 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1a3p n ASP 27 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 -0.89 0.84 -4.83 -2.24 3.41 -1.23 -4.44 113.62 104.24 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 1.33 3.57 0.22 7.33 5.04 -1.26 0.21 117.35 133.78 1a3p s TYR 29 Ca 0.00 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.20 1a3p s TYR 29 Cb 0.00 -2.08 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1a3p s TYR 29 CO 0.00 0.59 0.30 -2.37 -1.34 0.00 0.00 175.55 172.73 1a3p n THR 30 N 2.40 0.00 -4.30 4.34 5.66 -0.61 -4.72 114.28 117.05 1a3p n THR 30 Ca -0.17 -1.10 -0.22 0.00 -3.05 0.00 0.00 64.05 59.51 1a3p n THR 30 Cb 0.54 0.68 -0.12 0.00 -1.55 0.00 0.00 70.33 69.88 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 -2.31 4.61 0.00 0.00 3.84 0.66 -4.71 114.94 117.03 1a3p s ASN 32 Ca 0.10 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 52.83 1a3p s ASN 32 Cb -0.07 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 1a3p s ASN 32 CO 0.05 -0.03 0.00 0.00 -2.79 0.00 0.00 177.10 174.33 1a3p s VAL 34 N 1.76 0.13 0.60 0.00 0.11 -0.90 -4.61 120.40 117.48 1a3p s VAL 34 Ca 0.00 -1.24 0.28 0.00 -2.93 0.00 0.00 61.98 58.09 1a3p s VAL 34 Cb 0.00 -1.47 0.39 0.00 -1.53 0.00 0.00 36.38 33.77 1a3p s VAL 34 CO 0.00 -0.57 1.62 -0.29 -3.33 0.00 0.00 175.10 172.53 1a3p h ILE 35 N 2.71 0.18 -0.10 7.04 2.10 -2.00 0.17 117.51 127.61 1a3p h ILE 35 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1a3p h ILE 35 Cb 1.21 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1a3p h ILE 35 CO 0.55 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.23 1a3p n GLY 36 N -1.60 0.55 2.77 8.18 0.00 -1.26 -4.77 105.19 109.06 1a3p n GLY 36 Ca 0.15 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.27 0.66 0.00 1.61 2.02 0.59 0.30 117.35 121.27 1a3p s TYR 37 Ca 0.21 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 1a3p s TYR 37 Cb 0.14 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1a3p s TYR 37 CO 0.20 -0.32 0.00 0.45 -1.57 0.00 0.00 175.55 174.31 1a3p n SER 38 N 5.11 0.03 0.00 2.29 2.88 -0.01 -2.11 113.62 121.81 1a3p n SER 38 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 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 2.06 2.19 0.00 0.46 0.00 -1.26 -1.73 105.19 106.90 1a3p n GLY 39 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.45 0.00 0.00 1.61 9.92 -1.26 -4.95 116.55 123.32 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 2.33 -2.41 -1.24 0.00 -1.20 -3.65 116.66 110.50 1a3p n ARG 41 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1a3p n ARG 41 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 32.46 31.66 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 -3.46 0.00 -0.00 -1.92 -3.38 115.11 106.12 1a3p h GLN 43 Ca -0.08 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.88 1a3p h GLN 43 Cb 1.06 0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 28.17 1a3p h GLN 43 CO 0.09 0.08 -0.36 -0.08 -0.00 0.00 0.00 178.83 178.56 1a3p s THR 44 N -3.24 3.65 -1.03 1.86 -1.32 -1.25 -4.97 115.64 109.34 1a3p s THR 44 Ca -0.00 -3.26 -0.20 0.00 -1.21 0.00 0.00 61.69 57.01 1a3p s THR 44 Cb 0.09 -3.37 0.09 0.00 -1.51 0.00 0.00 72.50 67.80 1a3p s THR 44 CO 0.78 -0.92 1.35 -0.13 -2.21 0.00 0.00 174.62 173.50 1a3p s ARG 45 N -0.43 3.67 0.57 7.08 0.52 -1.26 -0.83 118.95 128.26 1a3p s ARG 45 Ca 0.19 -1.56 0.27 0.00 -0.52 0.00 0.00 55.73 54.12 1a3p s ARG 45 Cb -0.18 -5.19 1.51 0.00 0.52 0.00 0.00 34.95 31.62 1a3p s ARG 45 CO -0.05 -2.02 2.03 0.22 0.02 0.00 0.00 175.30 175.50 1a3p h ASP 46 N 9.03 0.00 -1.28 0.23 3.58 0.43 -3.46 116.42 124.94 1a3p h ASP 46 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1a3p h ASP 46 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1a3p h ASP 46 CO 1.30 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 177.84 1a3p n LEU 47 N -4.01 -0.85 0.00 2.28 4.77 0.85 -5.01 117.00 115.03 1a3p n LEU 47 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1a3p n LEU 47 Cb 0.48 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1a3p n LEU 47 CO 0.31 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.91