#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g47 n ALA 2 N 0.00 -0.34 -0.11 -5.12 0.00 -1.26 -4.80 120.51 108.87 1g47 n ALA 2 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1g47 n ALA 2 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.36 1g47 n ALA 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g47 n ASN 3 N -1.34 2.13 -2.60 0.00 5.15 -1.26 -4.92 115.26 112.42 1g47 n ASN 3 Ca -0.20 -0.11 -0.18 0.00 -0.60 0.00 0.00 54.58 53.48 1g47 n ASN 3 Cb 0.65 -0.27 -0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g47 n ALA 4 N -3.13 -0.77 -3.22 5.20 0.00 -1.26 -2.55 120.51 114.78 1g47 n ALA 4 Ca -0.39 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1g47 n ALA 4 Cb 0.94 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 18.14 1g47 n ALA 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1g47 n LEU 5 N -3.17 -5.80 -4.55 0.00 7.94 -1.26 -4.78 117.00 105.37 1g47 n LEU 5 Ca -0.17 -0.44 -0.32 0.00 -1.11 0.00 0.00 56.01 53.97 1g47 n LEU 5 Cb 0.64 -3.12 -0.04 0.00 0.53 0.00 0.00 43.42 41.43 1g47 n LEU 5 CO 0.30 -0.45 1.75 0.00 -1.11 0.00 0.00 177.39 177.87 1g47 s ALA 6 N -3.19 1.55 -0.37 1.96 0.00 -1.06 -4.76 121.76 115.89 1g47 s ALA 6 Ca 0.22 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1g47 s ALA 6 Cb -0.04 -4.40 0.46 0.00 0.00 0.00 0.00 23.12 19.15 1g47 s ALA 6 CO 0.76 -4.66 1.40 0.43 0.00 0.00 0.00 175.76 173.69 1g47 n SER 7 N 15.73 5.26 -3.66 0.00 7.64 -1.26 -4.94 113.62 132.39 1g47 n SER 7 Ca 0.36 -3.77 -0.15 0.00 1.01 0.00 0.00 58.87 56.32 1g47 n SER 7 Cb 0.52 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 1g47 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g47 s ALA 8 N -3.61 -1.35 0.31 -0.43 0.00 -1.26 -5.11 121.76 110.31 1g47 s ALA 8 Ca 0.53 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.83 1g47 s ALA 8 Cb 0.43 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1g47 s ALA 8 CO 0.02 -0.29 -0.13 0.95 0.00 0.00 0.00 175.76 176.31 1g47 s THR 9 N -0.44 2.26 0.45 0.00 -4.23 -1.26 -1.91 115.64 110.50 1g47 s THR 9 Ca -0.06 -2.27 -0.25 0.00 -1.18 0.00 0.00 61.69 57.94 1g47 s THR 9 Cb -0.03 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.23 1g47 s THR 9 CO 0.04 -0.29 1.34 0.00 -0.54 0.00 0.00 174.62 175.17 1g47 n GLU 11 N -0.20 1.43 0.00 0.00 4.07 -1.00 -1.23 120.64 123.71 1g47 n GLU 11 Ca 0.05 -0.42 0.00 0.00 -0.06 0.00 0.00 57.16 56.74 1g47 n GLU 11 Cb 0.44 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 1g47 n GLU 11 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1g47 n ARG 12 N -0.02 0.00 -0.00 5.31 1.85 -1.26 -4.86 116.66 117.68 1g47 n ARG 12 Ca 0.04 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.99 1g47 n ARG 12 Cb 0.27 -0.12 -0.13 0.00 -1.05 0.00 0.00 32.46 31.43 1g47 n ARG 12 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g47 n LYS 14 N -1.66 -6.21 -3.53 0.00 4.01 -0.36 -4.84 118.16 105.57 1g47 n LYS 14 Ca 0.02 0.71 -0.38 0.00 -0.51 0.00 0.00 58.31 58.15 1g47 n LYS 14 Cb 0.38 -5.58 -0.10 0.00 -0.51 0.00 0.00 35.03 29.22 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1g47 s GLY 15 N -3.81 1.92 -0.62 0.72 0.00 -1.26 -4.46 107.32 99.81 1g47 s GLY 15 Ca 0.33 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 1g47 s GLY 15 CO 0.78 0.74 2.45 0.61 0.00 0.00 0.00 173.10 177.69 1g47 n GLY 16 N 4.93 0.02 1.02 0.20 0.00 -1.26 -1.93 105.19 108.17 1g47 n GLY 16 Ca -0.12 0.65 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 1g47 n GLY 16 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1g47 n PHE 17 N 15.35 -1.68 0.02 1.61 1.16 -0.80 -4.98 117.46 128.14 1g47 n PHE 17 Ca 0.43 -0.61 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 1g47 n PHE 17 Cb 0.45 -0.13 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 1g47 n PHE 17 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1g47 n ALA 18 N -2.73 0.00 -1.70 1.98 0.00 -1.26 -4.41 120.51 112.39 1g47 n ALA 18 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1g47 n ALA 18 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.64 1g47 n ALA 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1g47 n PRO 19 N -2.54 1.68 0.09 0.00 -0.02 -1.26 -4.50 135.00 128.43 1g47 n PRO 19 Ca 0.00 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.27 1g47 n PRO 19 Cb 0.00 -2.40 0.73 0.00 -0.02 0.00 0.00 33.50 31.82 1g47 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g47 h ALA 20 N 1.61 2.22 -0.05 3.55 0.00 -2.01 1.28 119.26 125.86 1g47 h ALA 20 Ca -0.49 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1g47 h ALA 20 Cb 1.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1g47 h ALA 20 CO 0.57 -0.52 -0.58 1.05 0.00 0.00 0.00 179.25 179.78 1g47 h GLU 21 N 0.00 0.16 0.00 0.00 9.09 -2.01 -3.13 114.58 118.69 1g47 h GLU 21 Ca 0.18 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1g47 h GLU 21 Cb 0.83 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1g47 h GLU 21 CO -0.00 0.69 -1.77 1.63 0.05 0.00 0.00 179.01 179.61 1g47 n LYS 22 N -3.88 0.53 -3.58 1.06 5.02 0.33 -3.97 118.16 113.67 1g47 n LYS 22 Ca -0.02 -0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 55.71 1g47 n LYS 22 Cb 0.59 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1g47 n LYS 22 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1g47 s ILE 23 N -3.41 4.67 -0.18 -0.18 -1.09 0.41 -4.18 121.20 117.24 1g47 s ILE 23 Ca -0.05 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1g47 s ILE 23 Cb 0.14 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1g47 s ILE 23 CO 0.90 -0.24 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.65 1g47 s VAL 24 N 1.57 1.02 0.03 2.92 1.01 -0.56 -4.55 120.40 121.84 1g47 s VAL 24 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1g47 s VAL 24 Cb -0.19 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1g47 s VAL 24 CO 0.07 0.01 0.20 0.21 0.00 0.00 0.00 175.10 175.59 1g47 s ASN 25 N 1.65 6.35 -0.18 3.32 3.84 -1.26 0.99 114.94 129.65 1g47 s ASN 25 Ca -0.01 0.30 -0.10 0.00 0.21 0.00 0.00 52.86 53.26 1g47 s ASN 25 Cb -0.16 -1.97 0.06 0.00 -0.55 0.00 0.00 41.25 38.63 1g47 s ASN 25 CO -0.07 0.21 0.45 -0.94 -2.79 0.00 0.00 177.10 173.96 1g47 s SER 26 N -2.27 -0.57 0.00 -4.21 1.04 -0.86 -4.95 113.70 101.88 1g47 s SER 26 Ca 0.32 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1g47 s SER 26 Cb -0.13 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1g47 s SER 26 CO 0.24 -0.20 0.00 0.59 0.98 0.00 0.00 173.24 174.85 1g47 n ASN 27 N 4.21 0.00 -1.20 7.02 3.02 -1.26 -2.16 115.26 124.89 1g47 n ASN 27 Ca -0.23 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.32 1g47 n ASN 27 Cb 0.56 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g47 n GLY 28 N 0.00 -0.48 3.28 7.41 0.00 -1.26 -4.79 105.19 109.34 1g47 n GLY 28 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1g47 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g47 s GLU 29 N 0.01 1.30 -0.13 1.61 2.02 -0.92 -4.60 118.70 117.99 1g47 s GLU 29 Ca 0.01 -1.58 -0.00 0.00 0.02 0.00 0.00 54.97 53.42 1g47 s GLU 29 Cb 0.04 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 1g47 s GLU 29 CO -0.01 -0.45 -0.12 -0.51 0.02 0.00 0.00 175.26 174.19 1g47 s LEU 30 N -3.14 2.79 0.01 1.80 2.01 -1.26 -2.02 118.68 118.86 1g47 s LEU 30 Ca 0.36 -0.30 0.04 0.00 0.01 0.00 0.00 54.13 54.25 1g47 s LEU 30 Cb 0.05 -1.63 -0.01 0.00 0.01 0.00 0.00 46.19 44.61 1g47 s LEU 30 CO 0.12 0.17 -0.13 -0.31 1.01 0.00 0.00 176.35 177.21 1g47 s TYR 31 N 0.31 1.20 1.04 0.29 1.51 0.28 -2.38 117.35 119.59 1g47 s TYR 31 Ca -0.09 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.55 1g47 s TYR 31 Cb -0.16 -0.75 0.21 0.00 -0.11 0.00 0.00 41.96 41.16 1g47 s TYR 31 CO 0.05 -0.00 1.14 -1.01 -1.11 0.00 0.00 175.55 174.63 1g47 s HIS 32 N -0.49 1.59 -2.00 2.71 3.76 -1.26 -1.50 115.29 118.10 1g47 s HIS 32 Ca 0.04 0.68 0.15 0.00 -0.15 0.00 0.00 55.06 55.78 1g47 s HIS 32 Cb -0.06 -3.49 0.91 0.00 1.11 0.00 0.00 32.58 31.05 1g47 s HIS 32 CO 0.00 -3.06 1.44 -0.85 -0.85 0.00 0.00 174.74 171.42 1g47 n GLU 33 N -4.21 0.79 -2.70 1.40 0.28 -1.25 -3.34 120.64 111.61 1g47 n GLU 33 Ca 0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.04 1g47 n GLU 33 Cb 0.59 -1.30 0.10 0.00 1.43 0.00 0.00 31.44 32.26 1g47 n GLU 33 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1g47 n GLN 34 N -0.80 1.25 0.00 3.44 7.27 -1.26 -4.35 117.38 122.93 1g47 n GLN 34 Ca 0.11 -2.07 0.00 0.00 0.07 0.00 0.00 57.00 55.11 1g47 n GLN 34 Cb 0.05 -0.27 0.00 0.00 2.41 0.00 0.00 30.24 32.44 1g47 n GLN 34 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g47 n PHE 36 N -0.38 0.42 -4.05 0.00 3.01 -1.26 -4.66 117.46 110.54 1g47 n PHE 36 Ca 0.00 0.18 -0.22 0.00 1.01 0.00 0.00 57.45 58.42 1g47 n PHE 36 Cb 0.00 -1.63 -0.05 0.00 -0.01 0.00 0.00 39.48 37.80 1g47 n PHE 36 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1g47 s VAL 37 N 5.82 3.78 -0.13 -4.37 -7.23 -1.26 -0.86 120.40 116.15 1g47 s VAL 37 Ca 1.29 -1.53 -0.22 0.00 -1.81 0.00 0.00 61.98 59.71 1g47 s VAL 37 Cb -0.94 -3.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.79 1g47 s VAL 37 CO 0.48 -0.28 0.67 0.00 -0.31 0.00 0.00 175.10 175.66 1g47 h ALA 39 N 7.07 1.28 0.00 0.00 0.00 -0.30 0.74 119.26 128.04 1g47 h ALA 39 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1g47 h ALA 39 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1g47 h ALA 39 CO 0.77 -0.28 -0.13 1.04 0.00 0.00 0.00 179.25 180.65 1g47 n GLN 40 N -2.34 0.07 0.06 0.00 6.02 -1.26 -4.66 117.38 115.26 1g47 n GLN 40 Ca -0.01 0.03 0.10 0.00 -0.01 0.00 0.00 57.00 57.11 1g47 n GLN 40 Cb 0.37 -0.43 0.42 0.00 1.02 0.00 0.00 30.24 31.62 1g47 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g47 n PHE 42 N -1.86 -0.41 -2.60 0.00 3.72 0.26 -4.83 117.46 111.74 1g47 n PHE 42 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1g47 n PHE 42 Cb 0.22 -2.63 -0.03 0.00 -0.94 0.00 0.00 39.48 36.11 1g47 n PHE 42 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1g47 s GLN 43 N -3.24 4.40 0.73 -1.08 0.74 -1.26 -4.41 119.66 115.54 1g47 s GLN 43 Ca 0.00 1.50 -0.12 0.00 0.05 0.00 0.00 55.36 56.79 1g47 s GLN 43 Cb 0.00 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.60 1g47 s GLN 43 CO 0.00 -0.35 1.12 1.14 -0.55 0.00 0.00 175.29 176.64 1g47 s GLN 44 N 2.04 2.61 -0.23 1.67 -2.07 -1.26 -2.41 119.66 120.02 1g47 s GLN 44 Ca 0.51 0.38 -0.04 0.00 -1.82 0.00 0.00 55.36 54.39 1g47 s GLN 44 Cb -0.21 -2.00 0.12 0.00 -1.09 0.00 0.00 33.01 29.83 1g47 s GLN 44 CO 0.20 -1.19 0.41 -0.06 -1.32 0.00 0.00 175.29 173.32 1g47 s PHE 45 N -3.41 -0.87 -2.00 9.60 0.08 -0.04 -4.91 117.98 116.43 1g47 s PHE 45 Ca 0.59 1.20 0.03 0.00 0.12 0.00 0.00 56.93 58.87 1g47 s PHE 45 Cb -0.11 0.18 0.18 0.00 -0.57 0.00 0.00 43.02 42.71 1g47 s PHE 45 CO 0.51 -0.63 0.53 -0.35 -0.10 0.00 0.00 175.22 175.18 1g47 n PRO 46 N 5.38 0.29 0.06 0.24 -0.04 -1.26 -3.52 135.00 136.15 1g47 n PRO 46 Ca -0.06 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.61 1g47 n PRO 46 Cb 0.50 -1.17 0.74 0.00 -0.04 0.00 0.00 33.50 33.53 1g47 n PRO 46 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1g47 h GLU 47 N 0.00 0.00 0.00 0.54 4.81 -1.94 -3.45 114.58 114.54 1g47 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g47 h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1g47 h GLU 47 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1g47 n GLY 48 N -1.53 3.20 2.71 1.92 0.00 -1.23 -4.82 105.19 105.44 1g47 n GLY 48 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1g47 n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g47 s LEU 49 N 0.00 -0.20 0.00 0.99 0.20 -1.26 -4.99 118.68 113.42 1g47 s LEU 49 Ca 0.00 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 54.69 1g47 s LEU 49 Cb 0.00 0.26 0.00 0.00 -0.43 0.00 0.00 46.19 46.02 1g47 s LEU 49 CO 0.00 -0.02 0.00 2.22 -0.29 0.00 0.00 176.35 178.26 1g47 n PHE 50 N 3.40 0.00 -2.38 5.38 1.16 -1.26 -4.89 117.46 118.87 1g47 n PHE 50 Ca 0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.37 1g47 n PHE 50 Cb 0.64 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.52 1g47 n PHE 50 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1g47 n TYR 51 N 0.00 3.31 -0.92 2.97 4.01 -0.28 -4.97 117.16 121.28 1g47 n TYR 51 Ca 0.00 -2.96 -0.30 0.00 -0.16 0.00 0.00 57.90 54.48 1g47 n TYR 51 Cb 0.00 -0.20 0.16 0.00 -0.31 0.00 0.00 39.34 38.99 1g47 n TYR 51 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1g47 s GLU 52 N -3.59 0.93 0.17 -0.72 4.04 -1.20 -1.60 118.70 116.73 1g47 s GLU 52 Ca 0.49 1.12 -0.06 0.00 0.04 0.00 0.00 54.97 56.55 1g47 s GLU 52 Cb 0.41 -1.75 -0.02 0.00 0.02 0.00 0.00 34.13 32.79 1g47 s GLU 52 CO -0.18 -2.55 0.22 0.12 -1.84 0.00 0.00 175.26 171.03 1g47 s PHE 53 N -2.75 0.61 -0.25 4.83 5.36 -0.93 -4.73 117.98 120.13 1g47 s PHE 53 Ca 0.65 -0.96 -0.29 0.00 -0.96 0.00 0.00 56.93 55.37 1g47 s PHE 53 Cb -0.21 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.24 1g47 s PHE 53 CO 0.59 -0.68 1.65 -1.83 -1.46 0.00 0.00 175.22 173.49 1g47 s GLU 54 N -4.02 3.68 0.00 10.12 1.03 -1.26 -2.12 118.70 126.13 1g47 s GLU 54 Ca 0.22 1.58 0.00 0.00 0.03 0.00 0.00 54.97 56.80 1g47 s GLU 54 Cb 0.05 -4.07 0.00 0.00 -0.80 0.00 0.00 34.13 29.30 1g47 s GLU 54 CO 0.03 -1.44 0.00 0.41 -1.33 0.00 0.00 175.26 172.93 1g47 n GLY 55 N 4.86 2.99 0.24 -3.83 0.00 -1.26 -4.94 105.19 103.25 1g47 n GLY 55 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1g47 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g47 n ARG 56 N -2.00 1.27 -3.65 1.61 1.74 -0.90 -5.15 116.66 109.59 1g47 n ARG 56 Ca 0.00 -0.24 0.02 0.00 -0.77 0.00 0.00 57.85 56.85 1g47 n ARG 56 Cb 0.00 0.11 -0.06 0.00 -1.02 0.00 0.00 32.46 31.49 1g47 n ARG 56 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1g47 s LYS 57 N -2.11 0.08 -0.06 5.56 -2.85 -1.26 -2.18 119.74 116.92 1g47 s LYS 57 Ca 0.01 0.14 -0.07 0.00 -1.00 0.00 0.00 55.97 55.04 1g47 s LYS 57 Cb 0.00 0.02 0.02 0.00 -2.06 0.00 0.00 37.83 35.80 1g47 s LYS 57 CO 0.01 -0.02 0.19 0.71 0.10 0.00 0.00 175.35 176.34 1g47 s TYR 58 N 1.01 -0.16 0.58 1.78 2.02 -0.63 0.53 117.35 122.48 1g47 s TYR 58 Ca -0.07 0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1g47 s TYR 58 Cb -0.02 0.05 0.12 0.00 -0.40 0.00 0.00 41.96 41.70 1g47 s TYR 58 CO -0.11 -0.16 0.79 0.00 -1.57 0.00 0.00 175.55 174.51 1g47 n GLU 60 N -2.49 0.11 0.00 0.00 4.07 -1.26 -2.39 120.64 118.67 1g47 n GLU 60 Ca 0.13 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1g47 n GLU 60 Cb 0.46 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 1g47 n GLU 60 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1g47 n HIS 61 N -1.18 0.00 -0.17 4.31 -0.00 -1.26 -1.66 115.22 115.27 1g47 n HIS 61 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.83 1g47 n HIS 61 Cb 0.03 -0.39 0.39 0.00 -0.00 0.00 0.00 29.99 30.02 1g47 n HIS 61 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1g47 h ASP 62 N 0.00 0.59 -0.24 0.26 3.32 -1.92 0.61 116.42 119.04 1g47 h ASP 62 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1g47 h ASP 62 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1g47 h ASP 62 CO 0.00 0.37 0.01 0.15 -1.72 0.00 0.00 179.24 178.04 1g47 h PHE 63 N 0.66 0.46 0.00 4.55 3.57 -1.63 -1.42 116.94 123.14 1g47 h PHE 63 Ca 0.32 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1g47 h PHE 63 Cb 0.37 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1g47 h PHE 63 CO -0.00 0.59 0.00 0.00 -2.23 0.00 0.00 178.31 176.66 1g47 n GLN 64 N -4.65 0.56 0.07 1.11 10.64 -0.56 0.41 117.38 124.96 1g47 n GLN 64 Ca -0.04 0.03 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1g47 n GLN 64 Cb 0.23 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.01 1g47 n GLN 64 CO 0.00 0.00 0.00 1.98 -1.83 0.00 0.00 177.06 177.21 1g47 h MET 65 N 0.00 0.00 0.00 2.61 4.05 0.20 -2.87 114.93 118.92 1g47 h MET 65 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1g47 h MET 65 Cb 0.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1g47 h MET 65 CO 0.00 0.93 -1.68 1.28 0.23 0.00 0.00 176.91 177.67 1g47 n LEU 66 N -3.33 0.12 -1.80 3.39 4.77 -0.66 -4.44 117.00 115.05 1g47 n LEU 66 Ca -0.00 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1g47 n LEU 66 Cb 0.92 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.97 1g47 n LEU 66 CO 0.46 0.03 1.25 0.33 -1.33 0.00 0.00 177.39 178.14 1g47 n PHE 67 N -2.02 0.49 -3.19 -1.77 -0.00 0.17 -4.79 117.46 106.34 1g47 n PHE 67 Ca -0.02 -1.42 -0.12 0.00 -0.00 0.00 0.00 57.45 55.88 1g47 n PHE 67 Cb 0.44 -0.95 0.01 0.00 -0.00 0.00 0.00 39.48 38.98 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g47 n ALA 68 N 1.43 -2.69 -1.66 3.13 0.00 -1.26 -4.77 120.51 114.70 1g47 n ALA 68 Ca 0.22 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 1g47 n ALA 68 Cb 0.62 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1g47 n ALA 68 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g47 s PRO 69 N -3.14 2.82 0.00 0.00 0.05 -1.09 -5.01 135.00 128.63 1g47 s PRO 69 Ca 0.13 1.71 0.00 0.00 0.05 0.00 0.00 61.00 62.89 1g47 s PRO 69 Cb -0.03 -4.42 0.00 0.00 0.05 0.00 0.00 34.50 30.11 1g47 s PRO 69 CO 0.80 -2.46 0.34 0.00 0.05 0.00 0.00 177.00 175.73