#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 0.20 -0.21 -1.24 2.47 -0.58 -4.81 119.74 115.57 1p00 s LYS 2 Ca 0.00 0.58 -0.21 0.00 -1.56 0.00 0.00 55.97 54.77 1p00 s LYS 2 Cb 0.00 -0.11 -0.02 0.00 -1.46 0.00 0.00 37.83 36.24 1p00 s LYS 2 CO 0.00 -0.18 0.66 -1.17 0.16 0.00 0.00 175.35 174.81 1p00 s LEU 3 N 1.46 4.13 -0.01 5.43 2.96 -1.26 0.61 118.68 132.00 1p00 s LEU 3 Ca -0.08 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 54.76 1p00 s LEU 3 Cb -0.11 -2.93 -0.11 0.00 0.50 0.00 0.00 46.19 43.55 1p00 s LEU 3 CO -0.09 -0.32 0.25 2.30 -1.32 0.00 0.00 176.35 177.18 1p00 n ILE 4 N 4.83 0.00 0.00 6.68 -5.35 -0.98 -5.00 119.36 119.54 1p00 n ILE 4 Ca -0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1p00 n ILE 4 Cb 0.49 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.67 -0.84 3.21 3.28 0.00 -1.25 -5.01 105.19 106.25 1p00 n GLY 5 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p00 s SER 6 N -4.00 -0.37 -0.15 1.61 0.15 0.03 -1.70 113.70 109.27 1p00 s SER 6 Ca 0.00 0.70 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 1p00 s SER 6 Cb 0.00 0.67 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1p00 s SER 6 CO 0.00 -0.14 2.48 0.00 1.20 0.00 0.00 173.24 176.78 1p00 s VAL 8 N -0.71 1.16 0.24 0.00 0.11 -1.26 -4.91 120.40 115.02 1p00 s VAL 8 Ca 0.32 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 1p00 s VAL 8 Cb 0.19 -1.04 -0.09 0.00 -1.53 0.00 0.00 36.38 33.90 1p00 s VAL 8 CO -0.03 0.36 1.32 0.86 -3.33 0.00 0.00 175.10 174.28 1p00 s TRP 9 N 0.51 3.19 0.00 1.54 -0.00 -1.26 -2.80 118.94 120.12 1p00 s TRP 9 Ca -0.12 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.22 1p00 s TRP 9 Cb -0.14 -3.64 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 1p00 s TRP 9 CO 0.03 -1.96 0.00 0.41 -0.00 0.00 0.00 176.95 175.43 1p00 n GLY 10 N 1.99 2.00 3.77 5.86 0.00 -1.26 -5.06 105.19 112.49 1p00 n GLY 10 Ca 0.05 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.70 3.37 0.00 4.61 0.00 -1.12 -4.88 121.76 122.05 1p00 s ALA 11 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1p00 s ALA 11 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1p00 s ALA 11 CO 0.00 -0.68 1.55 1.55 0.00 0.00 0.00 175.76 178.18 1p00 n VAL 12 N 0.50 1.55 -2.61 0.00 3.14 -1.26 -2.83 118.33 116.82 1p00 n VAL 12 Ca 0.02 -0.33 -0.02 0.00 -2.96 0.00 0.00 64.34 61.04 1p00 n VAL 12 Cb 0.43 -1.32 0.04 0.00 -1.06 0.00 0.00 33.84 31.93 1p00 n VAL 12 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1p00 n ASN 13 N 1.31 -0.89 -4.75 6.55 2.04 -1.26 -5.07 115.26 113.19 1p00 n ASN 13 Ca 0.00 -1.63 -0.41 0.00 -0.44 0.00 0.00 54.58 52.11 1p00 n ASN 13 Cb 0.44 0.58 -0.04 0.00 -2.53 0.00 0.00 39.78 38.24 1p00 n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1p00 s TYR 14 N 0.06 3.49 -0.06 -2.53 5.04 -1.13 -0.79 117.35 121.42 1p00 s TYR 14 Ca 0.05 1.60 0.05 0.00 -2.44 0.00 0.00 57.07 56.34 1p00 s TYR 14 Cb 0.16 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 39.10 1p00 s TYR 14 CO -0.04 -0.84 -0.21 -0.08 -1.34 0.00 0.00 175.55 173.03 1p00 s THR 15 N -0.88 1.77 0.06 4.34 -1.32 -1.08 -4.91 115.64 113.63 1p00 s THR 15 Ca 0.47 -0.90 0.17 0.00 -1.21 0.00 0.00 61.69 60.22 1p00 s THR 15 Cb -0.33 -1.52 0.08 0.00 -1.51 0.00 0.00 72.50 69.23 1p00 s THR 15 CO 0.41 0.50 1.60 0.28 -2.21 0.00 0.00 174.62 175.21 1p00 h SER 16 N 6.27 0.00 -1.12 8.08 0.02 -1.96 -3.43 113.55 121.42 1p00 h SER 16 Ca -0.30 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1p00 h SER 16 Cb 1.18 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 1p00 h SER 16 CO 0.47 0.46 -0.35 0.21 -1.14 0.00 0.00 176.83 176.48 1p00 s ASN 17 N -6.47 -1.25 0.13 3.07 3.84 -1.26 -5.05 114.94 107.94 1p00 s ASN 17 Ca 0.01 0.42 -0.22 0.00 0.21 0.00 0.00 52.86 53.29 1p00 s ASN 17 Cb 0.10 1.96 -0.04 0.00 -0.55 0.00 0.00 41.25 42.72 1p00 s ASN 17 CO 0.72 -0.29 1.68 0.00 -2.79 0.00 0.00 177.10 176.42 1p00 h ARG 19 N -0.15 -0.16 -0.44 0.00 2.43 -1.87 -1.26 114.38 112.93 1p00 h ARG 19 Ca 0.08 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1p00 h ARG 19 Cb 0.27 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1p00 h ARG 19 CO -0.20 -0.11 0.22 0.00 -1.51 0.00 0.00 179.97 178.37 1p00 h ALA 20 N 0.76 0.55 -0.28 2.80 0.00 -1.88 0.91 119.26 122.12 1p00 h ALA 20 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p00 h ALA 20 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p00 h ALA 20 CO -0.03 -0.13 0.18 0.93 0.00 0.00 0.00 179.25 180.19 1p00 h GLU 21 N 0.45 0.38 -0.53 0.00 4.39 -1.01 -1.60 114.58 116.67 1p00 h GLU 21 Ca 0.19 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 1p00 h GLU 21 Cb 0.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1p00 h GLU 21 CO -0.13 0.29 0.02 0.00 -1.16 0.00 0.00 179.01 178.03 1p00 h LYS 23 N 0.79 1.03 -0.48 0.00 1.57 -0.63 0.11 116.57 118.96 1p00 h LYS 23 Ca 0.15 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1p00 h LYS 23 Cb 0.50 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1p00 h LYS 23 CO 0.02 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.63 1p00 h ARG 24 N 1.05 0.82 0.05 3.15 3.08 -1.17 -3.12 114.38 118.24 1p00 h ARG 24 Ca 0.28 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1p00 h ARG 24 Cb -0.09 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1p00 h ARG 24 CO -0.06 0.86 -0.03 0.00 -1.07 0.00 0.00 179.97 179.67 1p00 h ARG 25 N 0.68 -0.07 0.00 0.04 3.08 -0.88 -3.46 114.38 113.77 1p00 h ARG 25 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1p00 h ARG 25 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1p00 h ARG 25 CO 0.02 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1p00 n GLY 26 N -1.12 0.00 3.29 0.04 0.00 -0.02 -5.11 105.19 102.27 1p00 n GLY 26 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 1.71 0.35 1.61 1.51 0.17 -5.00 117.35 117.70 1p00 s TYR 27 Ca 0.00 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1p00 s TYR 27 Cb 0.00 -0.91 0.68 0.00 -0.11 0.00 0.00 41.96 41.63 1p00 s TYR 27 CO 0.00 0.22 1.95 0.87 -1.11 0.00 0.00 175.55 177.48 1p00 h LYS 28 N 3.79 0.80 0.00 -0.62 1.57 -1.85 -3.31 116.57 116.96 1p00 h LYS 28 Ca -0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1p00 h LYS 28 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1p00 h LYS 28 CO 0.44 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 1p00 n GLY 29 N -1.43 2.07 3.61 3.86 0.00 -1.25 -4.89 105.19 107.16 1p00 n GLY 29 Ca 0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.35 -0.13 -0.15 -0.02 0.00 -1.26 -0.76 107.32 104.64 1p00 s GLY 30 Ca 0.00 2.41 -0.18 0.00 0.00 0.00 0.00 44.72 46.95 1p00 s GLY 30 CO 0.00 1.26 0.49 -2.38 0.00 0.00 0.00 173.10 172.47 1p00 s HIS 31 N -0.76 -0.50 -0.01 1.90 -3.43 -0.01 -3.64 115.29 108.84 1p00 s HIS 31 Ca 0.02 1.16 -0.23 0.00 -0.80 0.00 0.00 55.06 55.21 1p00 s HIS 31 Cb -0.02 0.19 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 1p00 s HIS 31 CO -0.03 -0.31 0.69 0.00 -2.00 0.00 0.00 174.74 173.09 1p00 n GLY 33 N 2.68 2.07 7.00 0.00 0.00 0.95 -4.70 105.19 113.19 1p00 n GLY 33 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.70 1.61 7.64 -1.26 -1.47 113.62 115.43 1p00 n SER 34 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 2.53 -0.12 1.43 5.36 -1.26 -1.54 117.98 124.38 1p00 s PHE 35 Ca 0.00 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 1p00 s PHE 35 Cb 0.00 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 1p00 s PHE 35 CO 0.00 -4.43 0.00 0.00 -1.46 0.00 0.00 175.22 169.33 1p00 n ALA 36 N 4.92 -0.02 -3.93 11.12 0.00 -1.26 -2.97 120.51 128.37 1p00 n ALA 36 Ca 0.16 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 1p00 n ALA 36 Cb 0.37 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.97 -1.33 0.00 0.00 2.85 -0.59 -4.85 115.26 110.37 1p00 n ASN 37 Ca -0.01 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 1p00 n ASN 37 Cb 0.49 -3.30 0.00 0.00 1.24 0.00 0.00 39.78 38.20 1p00 n ASN 37 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1p00 n VAL 38 N -4.40 0.00 -1.67 3.44 0.24 -0.54 -4.14 118.33 111.25 1p00 n VAL 38 Ca -0.22 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.59 1p00 n VAL 38 Cb 0.64 -0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 1p00 n VAL 38 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1p00 n ASN 39 N -1.68 3.03 -4.53 -1.34 3.02 -0.59 0.76 115.26 113.92 1p00 n ASN 39 Ca 0.00 1.03 -0.43 0.00 -0.03 0.00 0.00 54.58 55.15 1p00 n ASN 39 Cb 0.34 -1.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.12 1p00 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p00 s TRP 41 N 3.55 2.95 0.19 0.00 0.52 -0.01 -2.32 118.94 123.82 1p00 s TRP 41 Ca 0.30 -1.19 -0.30 0.00 0.02 0.00 0.00 56.10 54.93 1p00 s TRP 41 Cb -0.12 -2.07 -0.08 0.00 -1.15 0.00 0.00 33.47 30.05 1p00 s TRP 41 CO 0.21 -0.63 1.22 0.00 0.02 0.00 0.00 176.95 177.77 1p00 s GLU 43 N -0.25 4.17 0.00 0.00 2.02 0.06 -1.53 118.70 123.17 1p00 s GLU 43 Ca 0.53 2.33 0.00 0.00 0.02 0.00 0.00 54.97 57.86 1p00 s GLU 43 Cb -0.33 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 29.90 1p00 s GLU 43 CO 0.37 -0.87 0.00 2.41 0.02 0.00 0.00 175.26 177.20