#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 0.38 0.00 0.55 0.00 -1.26 -4.80 105.19 100.05 1a3p n GLY 5 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.05 -1.26 -5.00 135.00 130.29 1a3p n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1a3p n PRO 7 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1a3p n PRO 7 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1a3p n SER 8 N 0.00 0.00 -3.84 3.54 7.64 -1.26 -4.23 113.62 115.47 1a3p n SER 8 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1a3p n SER 8 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -4.95 0.01 -0.02 6.43 0.15 -1.26 -5.03 113.70 109.03 1a3p s SER 9 Ca 0.00 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.34 1a3p s SER 9 Cb 0.00 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1a3p s SER 9 CO 0.00 -0.55 0.88 0.00 1.20 0.00 0.00 173.24 174.77 1a3p n TYR 10 N 0.72 0.00 -1.67 3.44 4.11 -1.26 -4.97 117.16 117.53 1a3p n TYR 10 Ca -0.19 -0.39 -0.46 0.00 -0.00 0.00 0.00 57.90 56.86 1a3p n TYR 10 Cb 0.59 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.34 39.84 1a3p n TYR 10 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1a3p n ASP 11 N -0.45 3.19 -3.88 9.48 8.00 -1.26 -1.66 116.55 129.98 1a3p n ASP 11 Ca 0.02 1.08 -0.27 0.00 0.71 0.00 0.00 54.79 56.32 1a3p n ASP 11 Cb 0.41 -1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.00 1a3p n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3p n GLY 12 N 3.50 -0.18 0.08 0.44 0.00 -1.26 -4.78 105.19 102.99 1a3p n GLY 12 Ca 0.17 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.55 0.66 -4.34 1.61 4.19 -0.66 -4.89 117.16 110.19 1a3p n TYR 13 Ca -0.12 0.19 -0.27 0.00 3.31 0.00 0.00 57.90 61.01 1a3p n TYR 13 Cb 0.46 -0.75 -0.11 0.00 0.49 0.00 0.00 39.34 39.44 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 0.28 1.71 0.00 0.00 7.94 0.80 -4.97 117.00 122.76 1a3p n LEU 15 Ca -0.12 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1a3p n LEU 15 Cb 0.55 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1a3p n LEU 15 CO 0.32 0.61 0.00 0.59 -1.11 0.00 0.00 177.39 177.79 1a3p n ASN 16 N -2.80 0.00 0.19 1.96 3.02 -1.25 -4.92 115.26 111.45 1a3p n ASN 16 Ca -0.28 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.43 1a3p n ASN 16 Cb 0.89 0.00 0.79 0.00 -0.61 0.00 0.00 39.78 40.84 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 -2.66 7.41 0.00 -1.88 -3.45 103.07 102.49 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 -1.45 0.00 0.00 4.60 0.00 -1.26 -4.69 105.19 102.39 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 -0.32 0.00 0.00 1.61 0.31 -0.97 -4.80 118.33 114.17 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 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.27 0.00 -1.84 5.55 0.00 0.24 0.38 117.12 121.17 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 1.62 -0.37 3.17 2.46 -1.26 -1.94 115.29 118.97 1a3p s HIS 22 Ca 0.00 -0.01 0.08 0.00 0.47 0.00 0.00 55.06 55.60 1a3p s HIS 22 Cb 0.00 -4.06 0.73 0.00 -0.13 0.00 0.00 32.58 29.12 1a3p s HIS 22 CO 0.00 -4.49 1.86 1.51 -2.47 0.00 0.00 174.74 171.15 1a3p n ILE 23 N 5.86 3.05 -0.23 0.89 0.13 0.58 -4.64 119.36 124.99 1a3p n ILE 23 Ca 0.20 -1.72 0.19 0.00 -1.10 0.00 0.00 62.75 60.32 1a3p n ILE 23 Cb 0.43 -0.40 0.36 0.00 -0.84 0.00 0.00 39.64 39.19 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 -0.05 -0.19 9.51 0.00 0.94 0.36 120.64 130.75 1a3p n GLU 24 Ca 0.48 1.01 0.10 0.00 0.00 0.00 0.00 57.16 58.75 1a3p n GLU 24 Cb 1.50 -1.75 0.20 0.00 0.00 0.00 0.00 31.44 31.38 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 -4.72 -0.02 -0.02 4.31 7.64 -1.26 -1.48 113.62 118.08 1a3p n SER 25 Ca 0.24 0.95 -0.02 0.00 1.01 0.00 0.00 58.87 61.05 1a3p n SER 25 Cb 0.82 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 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 -4.61 1.12 0.00 -3.43 -0.00 0.16 -5.07 117.00 105.17 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 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1a3p n LEU 26 CO -0.03 0.26 0.00 0.47 -0.00 0.00 0.00 177.39 178.08 1a3p n ASP 27 N -2.30 0.00 0.00 1.45 8.00 0.33 -5.15 116.55 118.88 1a3p n ASP 27 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1a3p n ASP 27 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.93 0.38 -4.80 -2.24 3.41 -1.24 -4.43 113.62 103.78 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 1.78 3.48 0.27 7.33 5.04 -1.26 0.22 117.35 134.20 1a3p s TYR 29 Ca 0.00 0.40 -0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1a3p s TYR 29 Cb 0.00 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.30 1a3p s TYR 29 CO 0.00 0.53 0.36 -2.37 -1.34 0.00 0.00 175.55 172.72 1a3p n THR 30 N 2.62 0.00 -4.37 4.34 5.66 -0.82 -4.71 114.28 117.00 1a3p n THR 30 Ca -0.18 -1.49 -0.24 0.00 -3.05 0.00 0.00 64.05 59.09 1a3p n THR 30 Cb 0.54 0.88 -0.11 0.00 -1.55 0.00 0.00 70.33 70.08 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 -2.63 5.53 0.76 0.00 2.47 0.16 -4.72 114.94 116.51 1a3p s ASN 32 Ca 0.17 -1.80 -0.09 0.00 0.42 0.00 0.00 52.86 51.57 1a3p s ASN 32 Cb -0.07 -1.94 0.08 0.00 -1.45 0.00 0.00 41.25 37.86 1a3p s ASN 32 CO 0.08 -0.59 1.10 0.00 -3.72 0.00 0.00 177.10 173.97 1a3p s VAL 34 N -3.42 3.59 0.55 0.00 0.11 -1.22 -4.82 120.40 115.19 1a3p s VAL 34 Ca 0.62 0.52 0.22 0.00 -2.93 0.00 0.00 61.98 60.40 1a3p s VAL 34 Cb -0.11 -3.13 0.22 0.00 -1.53 0.00 0.00 36.38 31.84 1a3p s VAL 34 CO 0.47 -0.67 1.66 -0.29 -3.33 0.00 0.00 175.10 172.94 1a3p h ILE 35 N -0.97 0.00 0.00 7.04 2.10 -1.96 0.53 117.51 124.25 1a3p h ILE 35 Ca -0.44 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.31 1a3p h ILE 35 Cb 1.23 0.50 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 1a3p h ILE 35 CO 0.54 0.00 -1.75 0.61 -1.08 0.00 0.00 178.15 176.47 1a3p n GLY 36 N -1.27 -1.11 3.29 8.18 0.00 -1.21 -4.70 105.19 108.37 1a3p n GLY 36 Ca -0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.93 2.83 0.00 1.61 2.02 0.19 0.28 117.35 121.35 1a3p s TYR 37 Ca -0.06 -0.98 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 1a3p s TYR 37 Cb 0.09 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1a3p s TYR 37 CO 0.83 -0.46 0.00 0.45 -1.57 0.00 0.00 175.55 174.80 1a3p n SER 38 N 4.17 0.00 0.00 2.29 2.88 -0.60 -3.37 113.62 118.99 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 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 2.09 2.49 0.00 0.46 0.00 -1.26 -1.26 105.19 107.71 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 -1.44 0.30 -2.34 -0.67 0.00 -1.17 -3.91 116.66 107.43 1a3p n ARG 41 Ca 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.85 57.73 1a3p n ARG 41 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.11 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 -0.25 0.00 -3.33 0.00 3.07 -1.87 -3.37 115.11 109.36 1a3p h GLN 43 Ca -0.20 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 57.86 1a3p h GLN 43 Cb 1.14 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.33 1a3p h GLN 43 CO 0.23 0.00 -0.30 -0.08 0.09 0.00 0.00 178.83 178.77 1a3p s THR 44 N -3.33 3.77 -0.99 1.86 -1.32 -1.25 -4.96 115.64 109.43 1a3p s THR 44 Ca 0.01 -3.70 -0.23 0.00 -1.21 0.00 0.00 61.69 56.56 1a3p s THR 44 Cb 0.09 -3.41 0.01 0.00 -1.51 0.00 0.00 72.50 67.68 1a3p s THR 44 CO 0.77 -1.00 1.66 -0.13 -2.21 0.00 0.00 174.62 173.70 1a3p s ARG 45 N -0.98 3.20 -0.13 7.08 0.52 -1.26 -1.55 118.95 125.82 1a3p s ARG 45 Ca 0.24 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1a3p s ARG 45 Cb -0.11 -5.26 -0.07 0.00 0.52 0.00 0.00 34.95 30.03 1a3p s ARG 45 CO -0.10 -2.68 2.85 -3.47 0.02 0.00 0.00 175.30 171.91 1a3p n ASP 46 N 10.87 5.68 -0.17 0.23 2.03 0.80 -4.85 116.55 131.13 1a3p n ASP 46 Ca 0.37 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.99 1a3p n ASP 46 Cb 0.49 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 1.64 0.00 0.00 -2.67 4.77 -1.14 -4.73 117.00 114.88 1a3p n LEU 47 Ca 0.32 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1a3p n LEU 47 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1a3p n LEU 47 CO 0.17 0.00 0.20 -2.11 -1.33 0.00 0.00 177.39 174.31