#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p00 s LYS 2 N 0.00 0.56 -0.29 -1.24 2.47 -1.21 -4.98 119.74 115.04 1p00 s LYS 2 Ca 0.00 0.00 -0.18 0.00 -1.56 0.00 0.00 55.97 54.23 1p00 s LYS 2 Cb 0.00 -0.69 -0.02 0.00 -1.46 0.00 0.00 37.83 35.67 1p00 s LYS 2 CO 0.00 -0.13 0.54 -1.17 0.16 0.00 0.00 175.35 174.75 1p00 s LEU 3 N 1.08 4.15 -0.01 5.43 2.96 -1.26 -0.75 118.68 130.27 1p00 s LEU 3 Ca -0.09 0.35 0.20 0.00 -0.22 0.00 0.00 54.13 54.38 1p00 s LEU 3 Cb -0.14 -2.67 -0.23 0.00 0.50 0.00 0.00 46.19 43.65 1p00 s LEU 3 CO -0.01 -0.38 0.55 2.30 -1.32 0.00 0.00 176.35 177.49 1p00 n ILE 4 N 5.29 0.58 -1.08 6.68 -5.35 -1.12 -5.01 119.36 119.34 1p00 n ILE 4 Ca -0.04 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1p00 n ILE 4 Cb 0.49 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1p00 n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p00 n GLY 5 N 1.37 -0.68 3.02 3.28 0.00 -1.26 -4.96 105.19 105.96 1p00 n GLY 5 Ca -0.10 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p00 s SER 6 N -4.00 1.12 -0.27 1.61 0.01 0.26 -1.27 113.70 111.16 1p00 s SER 6 Ca 0.00 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.08 1p00 s SER 6 Cb 0.00 -0.17 0.18 0.00 0.21 0.00 0.00 66.02 66.25 1p00 s SER 6 CO 0.00 0.10 2.01 0.00 0.41 0.00 0.00 173.24 175.77 1p00 s VAL 8 N -1.94 0.33 0.15 0.00 1.01 -1.26 -4.82 120.40 113.87 1p00 s VAL 8 Ca 0.26 -0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 1p00 s VAL 8 Cb 0.20 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 1p00 s VAL 8 CO -0.00 0.18 1.43 0.86 0.00 0.00 0.00 175.10 177.56 1p00 s TRP 9 N 0.98 3.18 0.00 5.22 -0.00 -1.26 -3.51 118.94 123.55 1p00 s TRP 9 Ca -0.10 0.91 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 1p00 s TRP 9 Cb -0.14 -3.74 0.00 0.00 -0.00 0.00 0.00 33.47 29.59 1p00 s TRP 9 CO -0.01 -2.59 0.00 0.41 -0.00 0.00 0.00 176.95 174.76 1p00 n GLY 10 N 3.31 3.97 3.76 5.86 0.00 -1.26 -5.10 105.19 115.72 1p00 n GLY 10 Ca 0.11 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1p00 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p00 s ALA 11 N 0.00 3.46 0.00 4.61 0.00 -1.23 -4.88 121.76 123.72 1p00 s ALA 11 Ca 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 1p00 s ALA 11 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1p00 s ALA 11 CO 0.00 -0.42 1.78 1.33 0.00 0.00 0.00 175.76 178.45 1p00 n VAL 12 N 1.37 1.68 -2.34 0.00 0.24 -1.26 -2.56 118.33 115.46 1p00 n VAL 12 Ca 0.01 -0.51 -0.03 0.00 -2.04 0.00 0.00 64.34 61.76 1p00 n VAL 12 Cb 0.43 -1.47 0.04 0.00 -1.47 0.00 0.00 33.84 31.37 1p00 n VAL 12 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1p00 n ASN 13 N 1.77 -1.06 -4.69 -1.34 0.23 -1.26 -5.08 115.26 103.83 1p00 n ASN 13 Ca 0.05 -1.87 -0.42 0.00 -0.53 0.00 0.00 54.58 51.81 1p00 n ASN 13 Cb 0.44 0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 38.55 1p00 n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1p00 s TYR 14 N 0.06 2.48 -0.23 -2.53 5.04 -1.06 -0.57 117.35 120.54 1p00 s TYR 14 Ca 0.04 0.32 -0.15 0.00 -2.44 0.00 0.00 57.07 54.85 1p00 s TYR 14 Cb 0.22 -3.98 -0.04 0.00 0.35 0.00 0.00 41.96 38.50 1p00 s TYR 14 CO -0.06 -3.92 0.35 0.95 -1.34 0.00 0.00 175.55 171.52 1p00 s THR 15 N 2.43 5.22 -0.03 4.34 -4.23 -0.04 -4.86 115.64 118.47 1p00 s THR 15 Ca 0.74 0.57 -0.23 0.00 -1.18 0.00 0.00 61.69 61.59 1p00 s THR 15 Cb -0.41 -3.68 -0.17 0.00 1.34 0.00 0.00 72.50 69.58 1p00 s THR 15 CO 0.33 0.24 1.05 0.28 -0.54 0.00 0.00 174.62 175.98 1p00 h SER 16 N 7.63 -0.18 -2.42 3.99 0.02 -1.93 -3.40 113.55 117.27 1p00 h SER 16 Ca -0.35 -0.36 -0.59 0.00 -0.84 0.00 0.00 61.79 59.65 1p00 h SER 16 Cb 1.16 0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.35 1p00 h SER 16 CO 0.68 0.32 -0.85 0.59 -1.14 0.00 0.00 176.83 176.44 1p00 n ASN 17 N -4.95 1.23 -0.15 3.07 4.13 -1.26 -5.03 115.26 112.30 1p00 n ASN 17 Ca -0.08 -2.83 -0.04 0.00 1.68 0.00 0.00 54.58 53.30 1p00 n ASN 17 Cb 0.26 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 37.83 1p00 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p00 h ARG 19 N 0.00 0.29 -0.77 0.00 2.43 -1.88 -2.31 114.38 112.14 1p00 h ARG 19 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1p00 h ARG 19 Cb 0.15 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1p00 h ARG 19 CO -0.35 0.30 0.37 0.00 -1.51 0.00 0.00 179.97 178.79 1p00 h ALA 20 N 0.97 0.99 -0.00 2.80 0.00 -0.97 -1.40 119.26 121.66 1p00 h ALA 20 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1p00 h ALA 20 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1p00 h ALA 20 CO -0.01 0.56 -0.01 0.93 0.00 0.00 0.00 179.25 180.71 1p00 h GLU 21 N 1.09 -0.02 -0.39 0.00 4.39 0.12 0.18 114.58 119.94 1p00 h GLU 21 Ca 0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1p00 h GLU 21 Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1p00 h GLU 21 CO -0.03 -0.01 0.23 0.00 -1.16 0.00 0.00 179.01 178.03 1p00 h LYS 23 N 0.51 1.20 -0.42 0.00 1.57 -1.01 0.21 116.57 118.64 1p00 h LYS 23 Ca 0.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p00 h LYS 23 Cb 0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1p00 h LYS 23 CO -0.02 0.80 0.25 -0.09 -0.57 0.00 0.00 179.45 179.81 1p00 h ARG 24 N 1.24 0.57 0.20 3.15 2.43 -0.16 -3.22 114.38 118.58 1p00 h ARG 24 Ca 0.34 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1p00 h ARG 24 Cb -0.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1p00 h ARG 24 CO -0.08 0.42 -0.10 0.00 -1.51 0.00 0.00 179.97 178.71 1p00 h ARG 25 N 0.55 -0.26 0.00 0.20 3.08 -0.70 -3.47 114.38 113.79 1p00 h ARG 25 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1p00 h ARG 25 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1p00 h ARG 25 CO -0.03 0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 1p00 n GLY 26 N 0.22 0.00 3.24 0.04 0.00 0.40 -5.11 105.19 103.97 1p00 n GLY 26 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1p00 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p00 s TYR 27 N 0.00 1.32 0.22 1.61 1.51 0.45 -4.97 117.35 117.48 1p00 s TYR 27 Ca 0.00 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.34 1p00 s TYR 27 Cb 0.00 -0.68 0.18 0.00 -0.11 0.00 0.00 41.96 41.34 1p00 s TYR 27 CO 0.00 0.12 1.84 0.87 -1.11 0.00 0.00 175.55 177.26 1p00 h LYS 28 N 3.23 1.15 0.00 -0.62 1.57 -1.59 -3.25 116.57 117.06 1p00 h LYS 28 Ca -0.38 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1p00 h LYS 28 Cb 1.20 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1p00 h LYS 28 CO 0.56 0.85 0.00 0.41 -0.57 0.00 0.00 179.45 180.69 1p00 n GLY 29 N -1.10 2.12 3.60 3.86 0.00 -1.24 -4.80 105.19 107.63 1p00 n GLY 29 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1p00 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p00 s GLY 30 N -0.15 -0.18 -0.16 -0.02 0.00 -1.26 -0.77 107.32 104.78 1p00 s GLY 30 Ca 0.00 2.02 -0.14 0.00 0.00 0.00 0.00 44.72 46.60 1p00 s GLY 30 CO 0.00 0.78 0.42 -2.38 0.00 0.00 0.00 173.10 171.92 1p00 s HIS 31 N -1.80 -0.49 -0.16 1.90 -3.43 -0.09 -3.94 115.29 107.29 1p00 s HIS 31 Ca 0.07 1.15 -0.22 0.00 -0.80 0.00 0.00 55.06 55.27 1p00 s HIS 31 Cb -0.01 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.29 1p00 s HIS 31 CO -0.05 -0.24 0.66 0.00 -2.00 0.00 0.00 174.74 173.11 1p00 n GLY 33 N 3.54 3.44 7.00 0.00 0.00 0.43 -4.76 105.19 114.84 1p00 n GLY 33 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1p00 n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p00 n SER 34 N 0.00 0.00 -4.56 1.61 7.64 -1.26 -0.41 113.62 116.64 1p00 n SER 34 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1p00 n SER 34 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1p00 n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1p00 s PHE 35 N 0.00 1.19 0.00 1.43 5.36 -1.26 -4.10 117.98 120.60 1p00 s PHE 35 Ca 0.00 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1p00 s PHE 35 Cb 0.00 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 1p00 s PHE 35 CO 0.00 -2.80 0.00 0.00 -1.46 0.00 0.00 175.22 170.96 1p00 n ALA 36 N 14.54 0.00 0.00 11.12 0.00 -1.26 -4.19 120.51 140.72 1p00 n ALA 36 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1p00 n ALA 36 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1p00 n ALA 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1p00 n ASN 37 N 1.64 0.00 0.14 0.00 2.85 -1.23 -4.83 115.26 113.83 1p00 n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1p00 n ASN 37 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1p00 n ASN 37 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1p00 n VAL 38 N 0.00 0.00 -2.37 3.44 3.14 0.45 -4.85 118.33 118.14 1p00 n VAL 38 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1p00 n VAL 38 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1p00 n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1p00 s ASN 39 N -2.00 7.06 -0.46 6.55 0.01 -1.13 0.78 114.94 125.76 1p00 s ASN 39 Ca 0.00 2.16 -0.11 0.00 -0.71 0.00 0.00 52.86 54.20 1p00 s ASN 39 Cb 0.00 -2.59 0.09 0.00 0.41 0.00 0.00 41.25 39.16 1p00 s ASN 39 CO 0.00 -0.43 0.34 0.00 -1.51 0.00 0.00 177.10 175.50 1p00 s TRP 41 N 1.48 3.37 -0.02 0.00 0.52 -0.54 -2.79 118.94 120.95 1p00 s TRP 41 Ca 0.04 0.33 -0.24 0.00 0.02 0.00 0.00 56.10 56.25 1p00 s TRP 41 Cb -0.25 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 1p00 s TRP 41 CO 0.03 0.17 0.72 0.00 0.02 0.00 0.00 176.95 177.88 1p00 s GLU 43 N 0.40 2.77 0.00 0.00 0.41 0.05 -3.33 118.70 119.00 1p00 s GLU 43 Ca 0.37 1.30 0.30 0.00 -0.41 0.00 0.00 54.97 56.53 1p00 s GLU 43 Cb -0.19 -4.38 1.49 0.00 -1.78 0.00 0.00 34.13 29.27 1p00 s GLU 43 CO 0.20 -2.53 2.00 2.41 -0.49 0.00 0.00 175.26 176.85