#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g71 s GLY 2 N 0.00 2.82 0.00 3.41 0.00 -1.26 -4.93 107.32 107.35 3g71 s GLY 2 Ca 0.00 0.73 0.27 0.00 0.00 0.00 0.00 44.72 45.72 3g71 s GLY 2 CO 0.00 1.20 1.91 0.00 0.00 0.00 0.00 173.10 176.21 3g71 n ALA 3 N 0.25 2.32 -1.39 3.20 0.00 -1.26 -3.46 120.51 120.17 3g71 n ALA 3 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3g71 n ALA 3 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3g71 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g71 n GLY 4 N 1.07 0.70 0.32 0.00 0.00 -1.26 -4.56 105.19 101.45 3g71 n GLY 4 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3g71 n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g71 h THR 5 N 0.00 0.73 0.00 2.61 2.02 -2.02 -1.74 112.91 114.51 3g71 h THR 5 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3g71 h THR 5 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3g71 h THR 5 CO 0.00 0.12 0.00 1.55 0.37 0.00 0.00 175.52 177.56 3g71 h PRO 6 N 0.68 0.00 -0.00 6.66 0.13 -1.90 -2.70 132.00 134.86 3g71 h PRO 6 Ca 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.63 3g71 h PRO 6 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3g71 h PRO 6 CO -0.37 0.00 -0.31 0.43 -0.23 0.00 0.00 178.00 177.52 3g71 n SER 7 N -2.35 0.74 0.21 1.44 7.64 -0.66 -3.80 113.62 116.84 3g71 n SER 7 Ca 0.03 -0.58 0.12 0.00 1.01 0.00 0.00 58.87 59.45 3g71 n SER 7 Cb 0.31 0.12 0.17 0.00 -1.01 0.00 0.00 64.21 63.81 3g71 n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3g71 h GLN 8 N 0.68 0.00 0.00 1.43 1.08 -1.39 -3.30 115.11 113.60 3g71 h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3g71 h GLN 8 Cb 0.48 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3g71 h GLN 8 CO 0.00 0.00 -0.16 0.78 -0.95 0.00 0.00 178.83 178.50 3g71 h GLY 9 N 4.01 0.00 1.85 3.46 0.00 -1.69 -2.93 103.07 107.77 3g71 h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g71 h GLY 9 CO 0.00 0.00 -0.07 0.28 0.00 0.00 0.00 176.54 176.75 3g71 n LYS 10 N -3.47 0.02 -2.15 4.80 5.02 -1.24 -4.70 118.16 116.43 3g71 n LYS 10 Ca -0.01 -0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 3g71 n LYS 10 Cb 0.33 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 3g71 n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g71 n LYS 11 N -1.49 2.56 -0.16 1.97 5.02 -1.11 -4.58 118.16 120.38 3g71 n LYS 11 Ca 0.07 -2.81 0.04 0.00 -2.02 0.00 0.00 58.31 53.59 3g71 n LYS 11 Cb 0.34 -3.46 0.06 0.00 -0.02 0.00 0.00 35.03 31.94 3g71 n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3g71 n ASN 12 N 9.41 1.38 -4.83 4.39 6.94 -1.26 -5.05 115.26 126.25 3g71 n ASN 12 Ca 0.49 -2.33 -0.35 0.00 -0.02 0.00 0.00 54.58 52.36 3g71 n ASN 12 Cb 0.44 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 3g71 n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3g71 s THR 13 N -1.41 4.60 -0.22 5.53 2.01 -1.26 -5.06 115.64 119.83 3g71 s THR 13 Ca 0.13 1.19 -0.06 0.00 0.31 0.00 0.00 61.69 63.26 3g71 s THR 13 Cb 0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3g71 s THR 13 CO 0.01 0.07 0.02 -0.89 -0.69 0.00 0.00 174.62 173.14 3g71 s THR 14 N -1.69 4.09 0.00 -0.82 2.01 -1.26 -4.97 115.64 113.00 3g71 s THR 14 Ca 0.47 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3g71 s THR 14 Cb -0.14 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3g71 s THR 14 CO 0.20 0.40 0.00 0.35 -0.69 0.00 0.00 174.62 174.88 3g71 n THR 15 N 4.44 0.00 -2.45 -0.82 -2.24 -1.26 -4.80 114.28 107.14 3g71 n THR 15 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3g71 n THR 15 Cb 0.52 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 3g71 n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g71 s HIS 16 N -0.74 2.86 0.34 4.78 3.76 -1.26 -0.59 115.29 124.43 3g71 s HIS 16 Ca 0.00 1.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.98 3g71 s HIS 16 Cb 0.00 -3.60 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 3g71 s HIS 16 CO 0.00 -1.55 0.04 0.95 -0.85 0.00 0.00 174.74 173.34 3g71 s THR 17 N 3.72 1.35 0.13 1.30 -4.23 0.14 -4.80 115.64 113.25 3g71 s THR 17 Ca 0.54 -2.01 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 3g71 s THR 17 Cb -0.19 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 3g71 s THR 17 CO 0.16 -0.02 1.75 -0.75 -0.54 0.00 0.00 174.62 175.22 3g71 s LYS 18 N -3.85 4.15 0.04 3.99 2.20 -1.26 -0.18 119.74 124.83 3g71 s LYS 18 Ca 0.36 2.52 -0.26 0.00 -0.36 0.00 0.00 55.97 58.23 3g71 s LYS 18 Cb 0.09 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3g71 s LYS 18 CO 0.16 -0.78 0.82 0.00 -0.36 0.00 0.00 175.35 175.19 3g71 h ARG 20 N 5.88 0.99 0.00 0.00 2.43 -1.92 -1.34 114.38 120.42 3g71 h ARG 20 Ca -0.43 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 3g71 h ARG 20 Cb 1.21 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3g71 h ARG 20 CO 0.72 0.65 -0.23 -0.09 -1.51 0.00 0.00 179.97 179.51 3g71 h ARG 21 N 1.02 0.00 0.00 0.20 2.43 -1.98 -3.42 114.38 112.64 3g71 h ARG 21 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3g71 h ARG 21 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3g71 h ARG 21 CO -0.10 0.80 -1.60 0.00 -1.51 0.00 0.00 179.97 177.56 3g71 n GLY 23 N 1.49 0.84 3.86 0.00 0.00 -0.50 -5.00 105.19 105.88 3g71 n GLY 23 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3g71 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g71 s GLU 24 N -0.31 3.90 -1.55 1.61 0.41 -1.26 -4.57 118.70 116.93 3g71 s GLU 24 Ca 0.00 0.48 -0.10 0.00 -0.41 0.00 0.00 54.97 54.94 3g71 s GLU 24 Cb 0.00 -2.53 -0.08 0.00 -1.78 0.00 0.00 34.13 29.74 3g71 s GLU 24 CO 0.00 0.23 2.86 1.17 -0.49 0.00 0.00 175.26 179.03 3g71 n LYS 25 N -0.27 3.52 0.00 1.61 4.81 -1.26 -0.98 118.16 125.59 3g71 n LYS 25 Ca 0.02 -2.14 0.00 0.00 -0.87 0.00 0.00 58.31 55.33 3g71 n LYS 25 Cb 0.53 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.80 3g71 n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3g71 n SER 26 N 3.71 0.94 -4.57 3.14 7.64 -0.80 -4.26 113.62 119.42 3g71 n SER 26 Ca 0.75 -1.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.83 3g71 n SER 26 Cb 0.22 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3g71 n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3g71 s TYR 27 N -0.37 2.64 -0.57 1.43 5.04 0.75 -1.40 117.35 124.87 3g71 s TYR 27 Ca 0.00 0.36 -0.27 0.00 -2.44 0.00 0.00 57.07 54.71 3g71 s TYR 27 Cb 0.00 -4.45 0.00 0.00 0.35 0.00 0.00 41.96 37.87 3g71 s TYR 27 CO 0.00 -1.54 1.58 -1.58 -1.34 0.00 0.00 175.55 172.67 3g71 s HIS 28 N 4.79 2.04 -1.21 4.97 5.65 -0.27 0.24 115.29 131.50 3g71 s HIS 28 Ca 0.41 0.54 0.06 0.00 0.25 0.00 0.00 55.06 56.32 3g71 s HIS 28 Cb -0.08 -4.29 0.29 0.00 -1.18 0.00 0.00 32.58 27.31 3g71 s HIS 28 CO 0.25 -2.20 1.12 -2.37 -0.65 0.00 0.00 174.74 170.89 3g71 n THR 29 N 6.98 1.25 -0.11 0.89 5.66 0.24 0.12 114.28 129.31 3g71 n THR 29 Ca 0.15 0.31 -0.13 0.00 -3.05 0.00 0.00 64.05 61.34 3g71 n THR 29 Cb 0.50 -1.21 -0.14 0.00 -1.55 0.00 0.00 70.33 67.93 3g71 n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3g71 n LYS 30 N -1.39 0.76 0.07 1.09 5.02 -1.26 -4.47 118.16 117.97 3g71 n LYS 30 Ca 0.02 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 3g71 n LYS 30 Cb 0.06 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3g71 n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g71 n LYS 31 N -2.92 0.54 -2.43 1.97 5.02 -0.80 -4.97 118.16 114.56 3g71 n LYS 31 Ca -0.36 0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.77 3g71 n LYS 31 Cb 1.06 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.33 3g71 n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g71 n LYS 32 N -2.46 -1.87 -4.66 1.97 4.76 0.32 -4.99 118.16 111.22 3g71 n LYS 32 Ca -0.00 0.97 -0.22 0.00 -2.87 0.00 0.00 58.31 56.18 3g71 n LYS 32 Cb 0.53 -5.60 -0.15 0.00 -1.84 0.00 0.00 35.03 27.96 3g71 n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g71 s VAL 33 N -3.02 1.13 -0.16 -0.18 1.01 -1.20 -4.37 120.40 113.62 3g71 s VAL 33 Ca 0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 3g71 s VAL 33 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3g71 s VAL 33 CO 0.03 0.32 0.44 0.00 0.00 0.00 0.00 175.10 175.89 3g71 n SER 35 N 4.03 0.18 -0.11 0.00 3.41 -0.49 -1.87 113.62 118.77 3g71 n SER 35 Ca -0.07 0.52 -0.19 0.00 -0.26 0.00 0.00 58.87 58.87 3g71 n SER 35 Cb 0.51 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 3g71 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3g71 n SER 36 N -1.67 1.92 -0.14 4.04 2.88 -1.26 -4.75 113.62 114.64 3g71 n SER 36 Ca 0.06 0.38 0.08 0.00 -1.33 0.00 0.00 58.87 58.07 3g71 n SER 36 Cb 0.34 -0.82 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 3g71 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g71 n GLY 38 N 1.34 0.53 3.73 0.00 0.00 -0.78 -0.47 105.19 109.53 3g71 n GLY 38 Ca 0.05 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3g71 n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g71 s PHE 39 N -2.00 2.89 0.00 1.61 5.36 -1.26 -0.62 117.98 123.96 3g71 s PHE 39 Ca 0.00 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3g71 s PHE 39 Cb 0.00 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3g71 s PHE 39 CO 0.00 -3.90 0.00 0.41 -1.46 0.00 0.00 175.22 170.27 3g71 n GLY 40 N 3.31 3.25 0.29 13.12 0.00 -1.26 -0.09 105.19 123.80 3g71 n GLY 40 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3g71 n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3g71 n LYS 41 N -1.13 0.47 -4.21 1.61 4.81 -0.31 -4.86 118.16 114.54 3g71 n LYS 41 Ca 0.00 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.46 3g71 n LYS 41 Cb 0.00 -1.30 -0.11 0.00 0.02 0.00 0.00 35.03 33.64 3g71 n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3g71 s SER 42 N -6.71 1.88 0.23 3.14 1.04 0.21 -5.02 113.70 108.46 3g71 s SER 42 Ca -0.29 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.45 3g71 s SER 42 Cb 0.10 -0.06 0.22 0.00 0.10 0.00 0.00 66.02 66.38 3g71 s SER 42 CO 0.39 -0.11 1.54 0.00 0.98 0.00 0.00 173.24 176.03 3g71 h ALA 43 N 3.84 0.81 -2.28 5.32 0.00 -1.97 -3.41 119.26 121.58 3g71 h ALA 43 Ca -0.40 -0.56 -0.49 0.00 0.00 0.00 0.00 54.91 53.45 3g71 h ALA 43 Cb 1.19 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.93 3g71 h ALA 43 CO 0.46 0.75 0.33 0.15 0.00 0.00 0.00 179.25 180.94 3g71 s LYS 44 N -3.70 3.75 0.06 0.00 1.02 -1.26 -5.04 119.74 114.58 3g71 s LYS 44 Ca -0.04 0.73 -0.26 0.00 0.02 0.00 0.00 55.97 56.43 3g71 s LYS 44 Cb 0.12 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 3g71 s LYS 44 CO 0.80 -0.34 0.79 1.03 -0.92 0.00 0.00 175.35 176.71 3g71 s ARG 45 N -4.52 4.53 -0.27 1.68 1.81 -1.26 -4.83 118.95 116.09 3g71 s ARG 45 Ca 0.55 1.12 -0.29 0.00 -1.72 0.00 0.00 55.73 55.40 3g71 s ARG 45 Cb -0.10 -3.36 -0.02 0.00 -0.45 0.00 0.00 34.95 31.02 3g71 s ARG 45 CO 0.41 0.30 1.73 0.50 -0.68 0.00 0.00 175.30 177.56 3g71 s ARG 46 N -0.15 3.56 0.01 3.54 3.52 0.37 -4.96 118.95 124.84 3g71 s ARG 46 Ca 0.39 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 3g71 s ARG 46 Cb -0.21 -4.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.04 3g71 s ARG 46 CO 0.24 -1.59 -0.01 0.34 -0.81 0.00 0.00 175.30 173.47 3g71 s ASP 47 N 5.26 0.10 0.01 -2.12 -1.08 -1.26 -4.72 116.67 112.87 3g71 s ASP 47 Ca 0.77 -0.16 -0.01 0.00 -0.52 0.00 0.00 52.55 52.64 3g71 s ASP 47 Cb -0.24 0.03 -0.01 0.00 -1.46 0.00 0.00 42.92 41.23 3g71 s ASP 47 CO 0.32 -0.09 -0.01 -0.31 0.52 0.00 0.00 175.17 175.60 3g71 s TYR 48 N -0.45 0.19 0.03 -5.34 1.51 -1.26 -5.05 117.35 106.97 3g71 s TYR 48 Ca -0.05 -0.38 0.32 0.00 -1.01 0.00 0.00 57.07 55.96 3g71 s TYR 48 Cb -0.03 -0.14 1.34 0.00 -0.11 0.00 0.00 41.96 43.02 3g71 s TYR 48 CO -0.00 -0.15 1.95 0.93 -1.11 0.00 0.00 175.55 177.17 3g71 h GLU 49 N 4.96 0.00 -0.00 -0.62 4.39 -2.01 -2.73 114.58 118.57 3g71 h GLU 49 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3g71 h GLU 49 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3g71 h GLU 49 CO 0.43 0.00 -0.00 -2.67 -1.16 0.00 0.00 179.01 175.61 3g71 n TRP 50 N -2.97 0.00 1.47 4.33 4.27 -1.26 -3.25 117.44 120.04 3g71 n TRP 50 Ca 0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.75 3g71 n TRP 50 Cb 0.29 -0.03 0.72 0.00 -1.36 0.00 0.00 31.31 30.94 3g71 n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3g71 n GLN 51 N -0.93 0.65 -3.87 -2.67 6.02 -1.03 -4.73 117.38 110.80 3g71 n GLN 51 Ca 0.23 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.14 3g71 n GLN 51 Cb 0.14 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 3g71 n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3g71 s SER 52 N -2.22 0.07 0.45 1.08 1.04 -1.20 -5.11 113.70 107.80 3g71 s SER 52 Ca 0.34 -0.70 -0.25 0.00 0.48 0.00 0.00 55.95 55.82 3g71 s SER 52 Cb 0.18 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.60 3g71 s SER 52 CO 0.33 -0.79 1.33 -0.54 0.98 0.00 0.00 173.24 174.55 3g71 s LYS 53 N -3.89 3.73 0.31 4.02 -0.14 -1.26 -4.92 119.74 117.59 3g71 s LYS 53 Ca 0.09 2.19 0.06 0.00 -1.36 0.00 0.00 55.97 56.95 3g71 s LYS 53 Cb 0.04 -2.61 0.85 0.00 -1.68 0.00 0.00 37.83 34.44 3g71 s LYS 53 CO -0.07 -0.70 1.61 0.00 -0.76 0.00 0.00 175.35 175.42 3g71 h ALA 54 N 2.31 1.43 -0.83 5.17 0.00 -1.96 -0.01 119.26 125.37 3g71 h ALA 54 Ca -0.50 0.27 -0.48 0.00 0.00 0.00 0.00 54.91 54.20 3g71 h ALA 54 Cb 1.26 0.41 -0.25 0.00 0.00 0.00 0.00 17.79 19.21 3g71 h ALA 54 CO 0.61 -0.59 0.62 0.41 0.00 0.00 0.00 179.25 180.29 3g71 n GLY 55 N -1.39 4.56 0.00 0.00 0.00 -1.26 -5.16 105.19 101.94 3g71 n GLY 55 Ca 0.25 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3g71 n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11