#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 0.75 0.00 0.55 0.00 -1.26 -4.82 105.19 100.41 1a3p n GLY 5 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -5.01 135.00 130.32 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 -3.85 2.55 7.64 -1.26 -4.13 113.62 114.56 1a3p n SER 8 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1a3p n SER 8 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -4.97 -0.05 -0.12 6.43 0.15 -1.26 -5.04 113.70 108.84 1a3p s SER 9 Ca 0.00 0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.84 1a3p s SER 9 Cb 0.00 0.24 0.34 0.00 -1.71 0.00 0.00 66.02 64.88 1a3p s SER 9 CO 0.00 -0.18 1.16 0.00 1.20 0.00 0.00 173.24 175.43 1a3p n TYR 10 N 2.36 0.00 -3.78 3.44 0.18 -1.26 -4.92 117.16 113.17 1a3p n TYR 10 Ca -0.17 -0.96 -0.36 0.00 1.88 0.00 0.00 57.90 58.29 1a3p n TYR 10 Cb 0.58 -0.18 -0.07 0.00 -0.38 0.00 0.00 39.34 39.28 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 -2.58 6.26 -1.99 9.48 1.11 -1.26 -4.00 116.67 123.68 1a3p s ASP 11 Ca 0.31 0.31 0.00 0.00 0.18 0.00 0.00 52.55 53.34 1a3p s ASP 11 Cb 0.31 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 42.22 1a3p s ASP 11 CO -0.06 0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.15 1a3p n GLY 12 N 3.02 0.82 0.08 0.21 0.00 -1.26 -4.82 105.19 103.24 1a3p n GLY 12 Ca -0.17 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.16 0.70 -4.19 1.61 4.19 -1.26 -4.88 117.16 110.18 1a3p n TYR 13 Ca -0.22 0.20 -0.17 0.00 3.31 0.00 0.00 57.90 61.02 1a3p n TYR 13 Cb 0.68 -0.78 -0.12 0.00 0.49 0.00 0.00 39.34 39.61 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 1.73 1.40 0.00 0.00 4.32 0.16 -4.97 117.00 119.64 1a3p n LEU 15 Ca -0.20 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.74 1a3p n LEU 15 Cb 0.55 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1a3p n LEU 15 CO 0.22 0.61 0.00 0.59 -1.22 0.00 0.00 177.39 177.59 1a3p n ASN 16 N -2.84 0.00 0.26 -1.43 3.02 -1.26 -4.93 115.26 108.08 1a3p n ASN 16 Ca -0.31 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.35 1a3p n ASN 16 Cb 0.96 0.08 0.69 0.00 -0.61 0.00 0.00 39.78 40.91 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 -1.84 -3.45 103.07 105.18 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 -0.88 0.00 0.00 4.60 0.00 -1.21 -4.62 105.19 103.09 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 0.74 -4.79 118.33 116.20 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 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 -2.24 5.55 0.00 0.24 -0.02 117.12 120.66 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 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 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 2.30 -0.37 3.17 2.46 -1.26 -1.12 115.29 120.48 1a3p s HIS 22 Ca 0.00 0.68 0.05 0.00 0.47 0.00 0.00 55.06 56.26 1a3p s HIS 22 Cb 0.00 -4.05 0.55 0.00 -0.13 0.00 0.00 32.58 28.95 1a3p s HIS 22 CO 0.00 -2.38 1.64 1.51 -2.47 0.00 0.00 174.74 173.04 1a3p n ILE 23 N 6.61 2.54 -0.37 0.89 0.13 0.58 -4.57 119.36 125.17 1a3p n ILE 23 Ca 0.18 -1.36 0.33 0.00 -1.10 0.00 0.00 62.75 60.79 1a3p n ILE 23 Cb 0.46 -0.52 0.58 0.00 -0.84 0.00 0.00 39.64 39.32 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 -0.41 -0.04 -0.22 9.51 0.00 0.64 0.38 120.64 130.50 1a3p n GLU 24 Ca 0.39 1.17 0.14 0.00 0.00 0.00 0.00 57.16 58.86 1a3p n GLU 24 Cb 1.29 -2.22 0.26 0.00 0.00 0.00 0.00 31.44 30.77 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 -4.71 0.03 -0.00 4.31 7.64 -1.26 -1.94 113.62 117.68 1a3p n SER 25 Ca 0.35 1.12 -0.00 0.00 1.01 0.00 0.00 58.87 61.35 1a3p n SER 25 Cb 1.31 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 64.05 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 -4.76 0.89 0.00 -3.43 -0.00 0.16 -5.07 117.00 104.79 1a3p n LEU 26 Ca 0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1a3p n LEU 26 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1a3p n LEU 26 CO -0.03 0.16 0.00 0.47 -0.00 0.00 0.00 177.39 177.99 1a3p n ASP 27 N -2.17 0.00 0.00 1.45 8.00 0.69 -5.15 116.55 119.38 1a3p n ASP 27 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1a3p n ASP 27 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.00 1.18 -4.82 -2.24 3.41 -1.23 -4.44 113.62 104.49 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 1.51 3.52 0.23 7.33 5.04 -1.26 0.22 117.35 133.94 1a3p s TYR 29 Ca 0.00 0.44 -0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1a3p s TYR 29 Cb 0.00 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.29 1a3p s TYR 29 CO 0.00 0.55 0.31 -2.37 -1.34 0.00 0.00 175.55 172.71 1a3p n THR 30 N 2.60 0.00 -4.28 4.34 5.66 -0.28 -4.67 114.28 117.66 1a3p n THR 30 Ca -0.18 -1.24 -0.24 0.00 -3.05 0.00 0.00 64.05 59.34 1a3p n THR 30 Cb 0.54 0.74 -0.12 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 -1.91 5.14 0.00 0.00 2.47 0.98 -4.69 114.94 116.93 1a3p s ASN 32 Ca 0.06 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.20 1a3p s ASN 32 Cb -0.10 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1a3p s ASN 32 CO 0.04 0.04 0.00 0.00 -3.72 0.00 0.00 177.10 173.47 1a3p s VAL 34 N 2.30 0.04 0.63 0.00 0.11 -0.18 -4.64 120.40 118.66 1a3p s VAL 34 Ca 0.00 -1.34 0.23 0.00 -2.93 0.00 0.00 61.98 57.94 1a3p s VAL 34 Cb 0.00 -1.95 0.23 0.00 -1.53 0.00 0.00 36.38 33.13 1a3p s VAL 34 CO 0.00 -0.17 1.71 -0.29 -3.33 0.00 0.00 175.10 173.02 1a3p h ILE 35 N 2.41 0.00 0.00 7.04 2.10 -1.92 0.34 117.51 127.49 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 1.24 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1a3p h ILE 35 CO 0.43 0.00 -1.20 0.61 -1.08 0.00 0.00 178.15 176.91 1a3p n GLY 36 N -1.27 -0.66 2.91 8.18 0.00 -1.25 -4.86 105.19 108.25 1a3p n GLY 36 Ca -0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.83 1.13 0.00 1.61 2.02 0.12 0.33 117.35 119.74 1a3p s TYR 37 Ca 0.01 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1a3p s TYR 37 Cb 0.12 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.73 1a3p s TYR 37 CO 0.70 -0.32 0.00 0.45 -1.57 0.00 0.00 175.55 174.80 1a3p n SER 38 N 4.39 0.00 0.00 2.29 2.88 -0.09 -1.01 113.62 122.09 1a3p n SER 38 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 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 2.56 2.24 0.00 0.46 0.00 -1.26 -1.79 105.19 107.40 1a3p n GLY 39 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 2.27 0.00 0.00 1.61 9.92 -1.26 -4.96 116.55 124.13 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 3.02 -3.28 -1.24 0.00 -1.16 -3.75 116.66 110.25 1a3p n ARG 41 Ca 0.00 -0.09 -0.21 0.00 -0.00 0.00 0.00 57.85 57.55 1a3p n ARG 41 Cb 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 32.46 32.06 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 -1.98 0.27 -4.12 0.00 -0.00 -1.91 -3.37 115.11 104.00 1a3p h GLN 43 Ca -0.49 -0.46 -0.77 0.00 -0.00 0.00 0.00 58.65 56.94 1a3p h GLN 43 Cb 1.32 0.17 -0.24 0.00 -0.00 0.00 0.00 27.48 28.74 1a3p h GLN 43 CO 0.49 1.15 0.55 -0.08 -0.00 0.00 0.00 178.83 180.94 1a3p s THR 44 N -2.58 5.48 -1.14 1.86 -1.32 -1.25 -4.89 115.64 111.80 1a3p s THR 44 Ca -0.17 -2.64 -0.19 0.00 -1.21 0.00 0.00 61.69 57.48 1a3p s THR 44 Cb 0.06 -4.64 0.09 0.00 -1.51 0.00 0.00 72.50 66.50 1a3p s THR 44 CO 0.81 -1.26 1.52 -0.13 -2.21 0.00 0.00 174.62 173.34 1a3p s ARG 45 N 0.41 3.82 0.54 7.08 0.52 -1.26 -0.91 118.95 129.16 1a3p s ARG 45 Ca 0.29 -1.76 0.25 0.00 -0.52 0.00 0.00 55.73 53.99 1a3p s ARG 45 Cb -0.08 -5.33 1.43 0.00 0.52 0.00 0.00 34.95 31.50 1a3p s ARG 45 CO -0.07 -2.11 2.02 0.22 0.02 0.00 0.00 175.30 175.38 1a3p h ASP 46 N 8.43 0.00 0.00 0.23 3.58 0.51 -3.47 116.42 125.70 1a3p h ASP 46 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1a3p h ASP 46 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1a3p h ASP 46 CO 1.37 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 177.62 1a3p n LEU 47 N -4.24 0.00 0.00 2.28 -0.00 0.13 -5.00 117.00 110.16 1a3p n LEU 47 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1a3p n LEU 47 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1a3p n LEU 47 CO 0.34 0.00 0.00 -2.11 -0.00 0.00 0.00 177.39 175.62