#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g47 s ALA 2 N 0.00 -0.93 -0.07 3.04 0.00 -1.26 -5.07 121.76 117.47 1g47 s ALA 2 Ca 0.00 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 1g47 s ALA 2 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1g47 s ALA 2 CO 0.00 -0.29 0.36 -0.91 0.00 0.00 0.00 175.76 174.92 1g47 h ASN 3 N 7.24 -0.25 0.00 0.00 2.35 -2.03 -3.48 115.58 119.42 1g47 h ASN 3 Ca -0.36 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1g47 h ASN 3 Cb 1.17 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1g47 h ASN 3 CO 0.30 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 176.30 1g47 n ALA 4 N -2.75 0.00 -2.17 -0.83 0.00 -1.26 -5.05 120.51 108.45 1g47 n ALA 4 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1g47 n ALA 4 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1g47 n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g47 s LEU 5 N -3.62 3.25 -0.22 0.00 1.02 -1.26 -4.89 118.68 112.97 1g47 s LEU 5 Ca 0.00 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.75 1g47 s LEU 5 Cb 0.00 -2.55 0.11 0.00 0.02 0.00 0.00 46.19 43.77 1g47 s LEU 5 CO 0.00 -2.33 0.44 0.00 0.02 0.00 0.00 176.35 174.48 1g47 s ALA 6 N 8.51 -1.28 0.00 4.21 0.00 -1.26 -4.63 121.76 127.30 1g47 s ALA 6 Ca 0.61 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1g47 s ALA 6 Cb -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1g47 s ALA 6 CO 0.09 -0.90 0.00 0.43 0.00 0.00 0.00 175.76 175.37 1g47 n SER 7 N 5.39 0.00 -4.75 0.00 7.64 -1.26 -5.05 113.62 115.59 1g47 n SER 7 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.44 1g47 n SER 7 Cb 0.50 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.29 2.53 0.36 -0.43 0.00 -1.26 -4.86 121.76 116.82 1g47 s ALA 8 Ca 0.00 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.10 1g47 s ALA 8 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1g47 s ALA 8 CO 0.00 -1.23 -0.06 0.95 0.00 0.00 0.00 175.76 175.43 1g47 s THR 9 N -1.55 2.21 0.92 0.00 -4.23 -1.26 -2.23 115.64 109.50 1g47 s THR 9 Ca 0.78 -2.13 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1g47 s THR 9 Cb -0.32 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 70.91 1g47 s THR 9 CO 0.34 -0.14 1.09 0.00 -0.54 0.00 0.00 174.62 175.37 1g47 h GLU 11 N -1.70 0.00 -0.70 0.00 4.22 -1.73 -0.85 114.58 113.83 1g47 h GLU 11 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1g47 h GLU 11 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1g47 h GLU 11 CO 0.52 0.00 0.00 2.89 -2.18 0.00 0.00 179.01 180.24 1g47 n ARG 12 N -4.29 0.96 0.00 1.92 0.00 -1.26 -3.92 116.66 110.06 1g47 n ARG 12 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1g47 n ARG 12 Cb 0.19 -1.35 0.00 0.00 -0.00 0.00 0.00 32.46 31.30 1g47 n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g47 n LYS 14 N -0.33 -6.08 -3.76 0.00 4.76 -0.32 -4.84 118.16 107.58 1g47 n LYS 14 Ca 0.00 0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 55.83 1g47 n LYS 14 Cb 0.00 -5.52 -0.11 0.00 -1.84 0.00 0.00 35.03 27.56 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1g47 s GLY 15 N -4.11 1.84 -0.44 0.72 0.00 -1.26 -4.46 107.32 99.62 1g47 s GLY 15 Ca 0.06 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.47 1g47 s GLY 15 CO 0.65 0.46 2.36 0.61 0.00 0.00 0.00 173.10 177.19 1g47 n GLY 16 N 4.66 0.40 0.30 0.20 0.00 -1.26 -1.86 105.19 107.62 1g47 n GLY 16 Ca -0.16 0.76 -0.02 0.00 0.00 0.00 0.00 46.02 46.61 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 13.59 -0.90 0.01 1.61 1.16 -0.94 -4.85 117.46 127.14 1g47 n PHE 17 Ca 0.38 -0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.77 1g47 n PHE 17 Cb 0.44 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 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 -2.90 0.00 -1.71 1.98 0.00 -1.26 -4.07 120.51 112.55 1g47 n ALA 18 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1g47 n ALA 18 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.37 2.33 0.14 0.00 -0.02 -1.26 -4.66 135.00 129.16 1g47 n PRO 19 Ca 0.00 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.50 1g47 n PRO 19 Cb 0.00 -2.52 0.77 0.00 -0.02 0.00 0.00 33.50 31.74 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 4.02 1.99 0.00 3.55 0.00 -2.01 0.67 119.26 127.48 1g47 h ALA 20 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1g47 h ALA 20 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1g47 h ALA 20 CO 0.74 -0.54 -0.27 1.05 0.00 0.00 0.00 179.25 180.23 1g47 h GLU 21 N 0.00 0.00 -0.05 0.00 4.11 -2.02 -2.96 114.58 113.66 1g47 h GLU 21 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1g47 h GLU 21 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1g47 h GLU 21 CO -0.00 0.27 0.00 1.63 0.07 0.00 0.00 179.01 180.98 1g47 n LYS 22 N -3.39 1.85 -3.80 1.06 5.02 0.20 -4.26 118.16 114.83 1g47 n LYS 22 Ca 0.00 -2.44 -0.25 0.00 -2.02 0.00 0.00 58.31 53.60 1g47 n LYS 22 Cb 0.47 -1.47 -0.17 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.53 0.59 -0.00 -0.18 -1.09 0.73 -4.36 121.20 114.36 1g47 s ILE 23 Ca 0.29 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1g47 s ILE 23 Cb 0.24 -0.76 -0.01 0.00 -1.58 0.00 0.00 42.46 40.36 1g47 s ILE 23 CO 0.04 0.22 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.21 1g47 s VAL 24 N 1.88 0.54 -0.08 2.92 1.01 -0.62 -4.68 120.40 121.38 1g47 s VAL 24 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1g47 s VAL 24 Cb -0.13 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1g47 s VAL 24 CO -0.06 0.10 -0.06 0.21 0.00 0.00 0.00 175.10 175.29 1g47 s ASN 25 N -0.29 1.63 0.22 3.32 3.04 -1.26 -0.20 114.94 121.39 1g47 s ASN 25 Ca 0.02 -0.21 -0.23 0.00 0.04 0.00 0.00 52.86 52.48 1g47 s ASN 25 Cb -0.03 -0.65 0.04 0.00 -1.54 0.00 0.00 41.25 39.07 1g47 s ASN 25 CO -0.00 -0.08 0.85 -0.55 -3.04 0.00 0.00 177.10 174.28 1g47 s SER 26 N 1.30 -0.21 -0.60 -4.21 0.15 -0.38 -4.92 113.70 104.83 1g47 s SER 26 Ca -0.04 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1g47 s SER 26 Cb -0.14 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1g47 s SER 26 CO -0.03 -1.13 0.00 -3.20 1.20 0.00 0.00 173.24 170.09 1g47 n ASN 27 N -0.50 -2.65 -1.92 5.45 4.05 -0.13 0.17 115.26 119.72 1g47 n ASN 27 Ca -0.05 0.32 -0.20 0.00 0.45 0.00 0.00 54.58 55.10 1g47 n ASN 27 Cb 0.60 -2.32 -0.06 0.00 1.23 0.00 0.00 39.78 39.23 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1g47 n GLY 28 N -0.67 0.93 3.22 8.20 0.00 -1.26 -4.42 105.19 111.18 1g47 n GLY 28 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.26 0.96 -0.23 1.61 2.02 0.46 -5.10 118.70 114.15 1g47 s GLU 29 Ca 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 54.97 53.62 1g47 s GLU 29 Cb 0.00 -0.61 -0.02 0.00 0.10 0.00 0.00 34.13 33.60 1g47 s GLU 29 CO 0.00 0.09 0.03 -0.51 0.02 0.00 0.00 175.26 174.89 1g47 s LEU 30 N -2.79 3.32 0.10 1.80 2.01 -1.26 -1.25 118.68 120.62 1g47 s LEU 30 Ca 0.11 -0.22 0.07 0.00 0.01 0.00 0.00 54.13 54.10 1g47 s LEU 30 Cb -0.00 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 1g47 s LEU 30 CO 0.00 0.00 -0.09 -0.31 1.01 0.00 0.00 176.35 176.97 1g47 s TYR 31 N 1.37 2.77 0.92 0.29 1.51 0.72 -1.76 117.35 123.16 1g47 s TYR 31 Ca 0.05 -0.14 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 1g47 s TYR 31 Cb -0.15 -1.45 0.19 0.00 -0.11 0.00 0.00 41.96 40.44 1g47 s TYR 31 CO 0.02 0.43 1.27 -1.01 -1.11 0.00 0.00 175.55 175.14 1g47 s HIS 32 N -1.22 1.58 -2.00 2.71 3.76 -1.26 -1.59 115.29 117.27 1g47 s HIS 32 Ca 0.22 0.20 0.09 0.00 -0.15 0.00 0.00 55.06 55.42 1g47 s HIS 32 Cb -0.11 -3.92 0.51 0.00 1.11 0.00 0.00 32.58 30.17 1g47 s HIS 32 CO 0.14 -2.49 1.23 -0.85 -0.85 0.00 0.00 174.74 171.92 1g47 n GLU 33 N -3.60 0.89 -2.70 1.40 0.28 -1.26 -3.29 120.64 112.35 1g47 n GLU 33 Ca 0.15 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1g47 n GLU 33 Cb 0.60 -1.15 0.08 0.00 1.43 0.00 0.00 31.44 32.40 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 -0.65 1.25 0.00 3.44 0.00 -1.26 0.14 117.38 120.30 1g47 n GLN 34 Ca 0.06 -2.43 0.00 0.00 -0.00 0.00 0.00 57.00 54.64 1g47 n GLN 34 Cb 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 30.24 29.70 1g47 n GLN 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1g47 n PHE 36 N 0.00 1.17 -4.18 0.00 3.01 -0.51 -4.45 117.46 112.51 1g47 n PHE 36 Ca 0.00 0.31 -0.23 0.00 1.01 0.00 0.00 57.45 58.54 1g47 n PHE 36 Cb 0.33 -2.49 -0.07 0.00 -0.01 0.00 0.00 39.48 37.24 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 9.07 3.15 -0.24 -4.37 -7.23 -1.26 0.99 120.40 120.51 1g47 s VAL 37 Ca 1.16 -1.77 -0.17 0.00 -1.81 0.00 0.00 61.98 59.40 1g47 s VAL 37 Cb -0.87 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 1g47 s VAL 37 CO 0.44 -0.24 0.45 0.00 -0.31 0.00 0.00 175.10 175.44 1g47 h ALA 39 N 7.78 1.61 -1.51 0.00 0.00 -0.68 1.73 119.26 128.20 1g47 h ALA 39 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1g47 h ALA 39 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1g47 h ALA 39 CO 0.70 -0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.42 1g47 n GLN 40 N -2.87 0.00 0.13 0.00 1.13 -1.26 -4.60 117.38 109.92 1g47 n GLN 40 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1g47 n GLN 40 Cb 0.59 -0.25 0.49 0.00 0.11 0.00 0.00 30.24 31.18 1g47 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g47 n PHE 42 N -2.26 -0.15 -1.91 0.00 7.35 0.59 -4.82 117.46 116.26 1g47 n PHE 42 Ca 0.02 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.29 1g47 n PHE 42 Cb 0.26 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.41 1g47 n PHE 42 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 1g47 s GLN 43 N -2.93 4.18 0.79 -4.13 0.74 -1.26 -4.22 119.66 112.84 1g47 s GLN 43 Ca 0.00 2.33 -0.12 0.00 0.05 0.00 0.00 55.36 57.62 1g47 s GLN 43 Cb 0.00 -3.87 0.07 0.00 1.10 0.00 0.00 33.01 30.31 1g47 s GLN 43 CO 0.00 -0.82 1.10 1.14 -0.55 0.00 0.00 175.29 176.16 1g47 s GLN 44 N 3.56 2.14 -0.01 1.67 -2.07 -1.26 -2.60 119.66 121.09 1g47 s GLN 44 Ca 0.77 0.59 -0.25 0.00 -1.82 0.00 0.00 55.36 54.64 1g47 s GLN 44 Cb -0.38 -1.93 0.06 0.00 -1.09 0.00 0.00 33.01 29.67 1g47 s GLN 44 CO 0.33 -1.57 0.57 -0.06 -1.32 0.00 0.00 175.29 173.24 1g47 s PHE 45 N -3.20 -0.51 0.00 9.60 0.08 0.28 -4.87 117.98 119.37 1g47 s PHE 45 Ca 0.61 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1g47 s PHE 45 Cb -0.14 0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.65 1g47 s PHE 45 CO 0.54 -0.59 0.00 -0.35 -0.10 0.00 0.00 175.22 174.72 1g47 n PRO 46 N 0.80 -1.39 -0.72 0.24 -0.04 -1.26 -1.42 135.00 131.20 1g47 n PRO 46 Ca -0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1g47 n PRO 46 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.92 1g47 n PRO 46 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1g47 n GLU 47 N -1.65 1.47 -0.03 0.54 0.00 0.37 -4.29 120.64 117.05 1g47 n GLU 47 Ca 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 57.16 56.52 1g47 n GLU 47 Cb 0.00 -1.88 0.49 0.00 0.00 0.00 0.00 31.44 30.05 1g47 n GLU 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g47 n GLY 48 N 2.67 -0.44 3.68 -1.84 0.00 -1.26 -4.92 105.19 103.08 1g47 n GLY 48 Ca 0.32 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1g47 n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1g47 n LEU 49 N -0.31 -2.81 0.00 0.99 0.00 -1.26 -4.96 117.00 108.66 1g47 n LEU 49 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 56.01 55.16 1g47 n LEU 49 Cb 0.18 -2.35 0.00 0.00 0.00 0.00 0.00 43.42 41.25 1g47 n LEU 49 CO 0.12 0.43 0.00 2.22 0.00 0.00 0.00 177.39 180.16 1g47 n PHE 50 N -4.09 0.00 -2.95 1.96 -1.74 -1.26 -4.92 117.46 104.46 1g47 n PHE 50 Ca -0.10 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.66 1g47 n PHE 50 Cb 0.59 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.61 1g47 n PHE 50 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1g47 n TYR 51 N 0.00 -0.41 -2.72 2.97 4.01 -0.11 -4.91 117.16 116.00 1g47 n TYR 51 Ca 0.00 -3.13 -0.37 0.00 -0.16 0.00 0.00 57.90 54.24 1g47 n TYR 51 Cb 0.00 0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.85 4.56 0.01 -0.72 -1.05 -1.21 -0.21 118.70 118.22 1g47 s GLU 52 Ca 0.32 1.41 -0.17 0.00 -0.15 0.00 0.00 54.97 56.38 1g47 s GLU 52 Cb 0.37 -2.84 0.03 0.00 -0.44 0.00 0.00 34.13 31.25 1g47 s GLU 52 CO -0.05 0.24 0.37 -0.06 0.95 0.00 0.00 175.26 176.71 1g47 s PHE 53 N -1.55 -0.23 0.05 4.83 0.08 -0.44 -4.83 117.98 115.90 1g47 s PHE 53 Ca 0.50 0.28 -0.31 0.00 0.12 0.00 0.00 56.93 57.52 1g47 s PHE 53 Cb -0.21 0.16 -0.10 0.00 -0.57 0.00 0.00 43.02 42.30 1g47 s PHE 53 CO 0.26 -0.48 1.92 -0.85 -0.10 0.00 0.00 175.22 175.98 1g47 n GLU 54 N 0.91 2.78 0.00 0.44 0.00 -1.26 -0.96 120.64 122.54 1g47 n GLU 54 Ca -0.20 1.02 0.00 0.00 0.00 0.00 0.00 57.16 57.98 1g47 n GLU 54 Cb 0.58 -2.94 0.00 0.00 0.00 0.00 0.00 31.44 29.07 1g47 n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g47 n GLY 55 N 4.44 3.09 3.44 -1.84 0.00 -1.26 -4.72 105.19 108.35 1g47 n GLY 55 Ca 0.20 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1g47 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g47 s ARG 56 N 0.00 0.65 -0.05 1.61 0.52 -0.53 -4.97 118.95 116.18 1g47 s ARG 56 Ca 0.00 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 55.95 1g47 s ARG 56 Cb 0.00 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 1g47 s ARG 56 CO 0.00 -0.08 -0.07 -1.59 0.02 0.00 0.00 175.30 173.58 1g47 s LYS 57 N 0.22 2.70 0.11 3.54 -2.85 -1.25 -1.32 119.74 120.88 1g47 s LYS 57 Ca -0.01 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1g47 s LYS 57 Cb -0.04 -2.57 -0.04 0.00 -2.06 0.00 0.00 37.83 33.12 1g47 s LYS 57 CO 0.01 0.65 -0.02 0.71 0.10 0.00 0.00 175.35 176.80 1g47 s TYR 58 N -0.87 0.85 0.20 1.78 2.02 0.71 0.11 117.35 122.15 1g47 s TYR 58 Ca 0.14 -1.04 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1g47 s TYR 58 Cb -0.11 -0.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1g47 s TYR 58 CO 0.03 -0.30 0.06 0.00 -1.57 0.00 0.00 175.55 173.78 1g47 n GLU 60 N -0.69 0.02 -0.03 0.00 2.13 -1.26 -1.90 120.64 118.91 1g47 n GLU 60 Ca -0.05 0.46 -0.01 0.00 0.66 0.00 0.00 57.16 58.22 1g47 n GLU 60 Cb 0.24 -1.56 -0.00 0.00 0.27 0.00 0.00 31.44 30.39 1g47 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1g47 h HIS 61 N 0.00 0.00 -0.77 4.31 -0.00 -1.97 -2.35 115.15 114.37 1g47 h HIS 61 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1g47 h HIS 61 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 1g47 h HIS 61 CO 0.00 0.00 0.50 0.22 -0.00 0.00 0.00 177.93 178.65 1g47 h ASP 62 N -0.51 0.76 -0.23 3.26 3.58 -1.92 0.85 116.42 122.22 1g47 h ASP 62 Ca 0.00 -0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1g47 h ASP 62 Cb 0.08 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1g47 h ASP 62 CO 0.00 0.50 -0.36 0.15 -2.88 0.00 0.00 179.24 176.65 1g47 h PHE 63 N 0.87 0.80 0.00 0.28 3.57 -1.54 -2.63 116.94 118.29 1g47 h PHE 63 Ca 0.32 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1g47 h PHE 63 Cb 0.16 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1g47 h PHE 63 CO -0.00 1.03 0.00 -0.56 -2.23 0.00 0.00 178.31 176.55 1g47 h GLN 64 N 0.35 0.00 -0.53 1.11 3.07 -0.84 -2.00 115.11 116.27 1g47 h GLN 64 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.64 1g47 h GLN 64 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.50 1g47 h GLN 64 CO 0.08 0.00 -0.13 1.98 0.09 0.00 0.00 178.83 180.86 1g47 h MET 65 N 0.00 1.02 0.00 0.06 4.05 -0.50 -1.40 114.93 118.17 1g47 h MET 65 Ca 0.00 -0.39 -0.04 0.00 -0.28 0.00 0.00 59.70 58.99 1g47 h MET 65 Cb 0.50 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1g47 h MET 65 CO 0.00 1.07 -0.20 -0.07 0.23 0.00 0.00 176.91 177.95 1g47 h LEU 66 N 0.90 0.00 -2.47 3.39 3.38 -1.12 -3.48 115.31 115.91 1g47 h LEU 66 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1g47 h LEU 66 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1g47 h LEU 66 CO 0.05 0.20 -0.49 0.33 0.09 0.00 0.00 178.44 178.62 1g47 n PHE 67 N -3.28 -2.53 -3.07 1.13 -0.00 -0.53 -5.03 117.46 104.16 1g47 n PHE 67 Ca 0.01 1.07 -0.19 0.00 -0.00 0.00 0.00 57.45 58.34 1g47 n PHE 67 Cb 0.47 -3.23 -0.04 0.00 -0.00 0.00 0.00 39.48 36.68 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 0.03 1.27 -1.78 3.13 0.00 -1.26 -5.06 120.51 116.85 1g47 n ALA 68 Ca 0.04 -2.77 -0.41 0.00 0.00 0.00 0.00 53.44 50.30 1g47 n ALA 68 Cb 0.16 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.54 4.16 0.00 0.00 0.04 -1.26 -5.03 135.00 132.37 1g47 s PRO 69 Ca 0.34 2.50 0.18 0.00 0.04 0.00 0.00 61.00 64.05 1g47 s PRO 69 Cb 0.18 -3.00 1.07 0.00 0.04 0.00 0.00 34.50 32.78 1g47 s PRO 69 CO -0.15 -0.47 1.47 0.00 0.04 0.00 0.00 177.00 177.88