#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 3.46 -0.83 3.04 0.00 -1.26 -4.93 121.76 121.24 1g47 s ALA 2 Ca 0.00 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 1g47 s ALA 2 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.38 1g47 s ALA 2 CO 0.00 -1.61 1.56 -0.80 0.00 0.00 0.00 175.76 174.91 1g47 s ASN 3 N 3.19 5.93 0.40 0.00 0.01 -1.26 -4.80 114.94 118.40 1g47 s ASN 3 Ca 0.64 -0.66 0.17 0.00 -0.71 0.00 0.00 52.86 52.30 1g47 s ASN 3 Cb -0.24 -2.56 0.83 0.00 0.41 0.00 0.00 41.25 39.69 1g47 s ASN 3 CO 0.24 -1.99 1.84 0.00 -1.51 0.00 0.00 177.10 175.68 1g47 h ALA 4 N 11.07 1.24 -5.83 0.60 0.00 -2.00 -3.48 119.26 120.86 1g47 h ALA 4 Ca -0.06 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.22 1g47 h ALA 4 Cb 1.05 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.92 1g47 h ALA 4 CO 1.30 0.42 -0.87 -0.11 0.00 0.00 0.00 179.25 180.00 1g47 n LEU 5 N -3.84 -4.32 0.00 0.00 7.94 -1.26 -0.54 117.00 114.99 1g47 n LEU 5 Ca -0.01 -0.84 0.00 0.00 -1.11 0.00 0.00 56.01 54.05 1g47 n LEU 5 Cb 0.41 -2.81 0.00 0.00 0.53 0.00 0.00 43.42 41.55 1g47 n LEU 5 CO 0.37 0.23 0.00 0.00 -1.11 0.00 0.00 177.39 176.88 1g47 n ALA 6 N -3.62 0.00 -1.26 1.96 0.00 -1.26 -4.75 120.51 111.58 1g47 n ALA 6 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1g47 n ALA 6 Cb 0.60 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1g47 n ALA 6 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g47 n SER 7 N 0.00 -7.56 -4.56 0.00 7.64 0.30 -4.85 113.62 104.59 1g47 n SER 7 Ca 0.00 0.85 -0.27 0.00 1.01 0.00 0.00 58.87 60.46 1g47 n SER 7 Cb 0.00 -4.04 0.12 0.00 -1.01 0.00 0.00 64.21 59.29 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 -2.97 2.92 0.17 -0.43 0.00 -1.26 -4.91 121.76 115.27 1g47 s ALA 8 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1g47 s ALA 8 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1g47 s ALA 8 CO 0.00 -1.80 -0.14 0.95 0.00 0.00 0.00 175.76 174.78 1g47 s THR 9 N -3.49 1.52 1.04 0.00 -4.23 -1.26 -2.35 115.64 106.87 1g47 s THR 9 Ca 0.67 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1g47 s THR 9 Cb -0.07 -1.85 0.22 0.00 1.34 0.00 0.00 72.50 72.14 1g47 s THR 9 CO 0.48 -0.56 1.08 0.00 -0.54 0.00 0.00 174.62 175.08 1g47 h GLU 11 N -2.24 0.00 0.00 0.00 4.22 -1.74 -1.39 114.58 113.43 1g47 h GLU 11 Ca -0.53 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 58.85 1g47 h GLU 11 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1g47 h GLU 11 CO 0.47 0.48 -0.48 0.07 -2.18 0.00 0.00 179.01 177.37 1g47 h ARG 12 N -1.00 0.00 0.00 1.92 -0.00 -1.88 -3.36 114.38 110.06 1g47 h ARG 12 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.91 1g47 h ARG 12 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.62 1g47 h ARG 12 CO -0.04 0.22 -0.94 0.00 -0.00 0.00 0.00 179.97 179.20 1g47 n LYS 14 N -1.50 -5.97 -3.18 0.00 4.76 -0.52 -4.80 118.16 106.94 1g47 n LYS 14 Ca -0.00 0.65 -0.40 0.00 -2.87 0.00 0.00 58.31 55.68 1g47 n LYS 14 Cb 0.09 -5.55 -0.07 0.00 -1.84 0.00 0.00 35.03 27.66 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 -3.42 1.96 -0.40 0.72 0.00 -1.26 -4.34 107.32 100.58 1g47 s GLY 15 Ca 0.59 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 1g47 s GLY 15 CO 0.81 1.26 2.34 0.61 0.00 0.00 0.00 173.10 178.11 1g47 n GLY 16 N 4.03 0.49 0.94 0.20 0.00 -1.26 -2.12 105.19 107.47 1g47 n GLY 16 Ca -0.03 0.77 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 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 13.30 -0.38 0.05 1.61 1.16 -0.99 -5.00 117.46 127.20 1g47 n PHE 17 Ca 0.37 -0.62 0.00 0.00 -1.87 0.00 0.00 57.45 55.33 1g47 n PHE 17 Cb 0.44 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.21 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 -2.64 0.00 -1.72 1.98 0.00 -1.26 -4.20 120.51 112.67 1g47 n ALA 18 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 1g47 n ALA 18 Cb 0.16 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 -2.74 1.75 0.31 0.00 -0.02 -1.26 -4.45 135.00 128.59 1g47 n PRO 19 Ca 0.00 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.30 1g47 n PRO 19 Cb 0.00 -2.47 0.93 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.66 1.34 0.04 3.55 0.00 -2.01 1.59 119.26 125.43 1g47 h ALA 20 Ca -0.49 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 1g47 h ALA 20 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1g47 h ALA 20 CO 0.58 -0.25 -1.01 0.93 0.00 0.00 0.00 179.25 179.49 1g47 h GLU 21 N 0.00 0.34 0.00 0.00 3.07 -2.01 -3.31 114.58 112.66 1g47 h GLU 21 Ca 0.02 -0.41 -0.15 0.00 -0.50 0.00 0.00 59.36 58.32 1g47 h GLU 21 Cb 0.48 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1g47 h GLU 21 CO -0.00 1.11 -2.08 1.63 -1.40 0.00 0.00 179.01 178.28 1g47 n LYS 22 N -3.67 0.67 -3.62 2.33 5.02 0.41 -3.95 118.16 115.35 1g47 n LYS 22 Ca -0.07 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 1g47 n LYS 22 Cb 0.88 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.09 5.33 -0.04 -0.18 -1.09 0.52 -4.23 121.20 118.42 1g47 s ILE 23 Ca -0.08 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1g47 s ILE 23 Cb 0.11 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1g47 s ILE 23 CO 0.87 0.31 0.05 -0.69 -1.23 0.00 0.00 174.94 174.25 1g47 s VAL 24 N 1.29 -0.08 0.10 2.92 1.01 -0.15 -4.46 120.40 121.02 1g47 s VAL 24 Ca 0.08 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1g47 s VAL 24 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1g47 s VAL 24 CO 0.07 0.18 -0.14 0.21 0.00 0.00 0.00 175.10 175.42 1g47 s ASN 25 N 2.06 4.16 -0.18 3.32 3.84 -1.26 0.12 114.94 126.99 1g47 s ASN 25 Ca 0.04 -0.44 -0.07 0.00 0.21 0.00 0.00 52.86 52.60 1g47 s ASN 25 Cb -0.12 -0.72 0.08 0.00 -0.55 0.00 0.00 41.25 39.94 1g47 s ASN 25 CO -0.03 0.19 0.39 -0.94 -2.79 0.00 0.00 177.10 173.92 1g47 s SER 26 N -2.05 -0.14 0.00 -4.21 1.04 -0.67 -4.91 113.70 102.77 1g47 s SER 26 Ca 0.19 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1g47 s SER 26 Cb -0.11 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1g47 s SER 26 CO 0.11 -0.23 0.00 -3.20 0.98 0.00 0.00 173.24 170.90 1g47 n ASN 27 N 5.32 0.00 0.00 7.02 2.85 -1.26 -2.27 115.26 126.92 1g47 n ASN 27 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1g47 n ASN 27 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g47 n GLY 28 N 0.00 0.08 3.91 8.20 0.00 -1.26 -4.56 105.19 111.55 1g47 n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.73 0.03 1.61 2.02 -0.96 -4.84 118.70 119.28 1g47 s GLU 29 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 54.97 55.19 1g47 s GLU 29 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1g47 s GLU 29 CO 0.00 -0.95 -0.22 -0.51 0.02 0.00 0.00 175.26 173.60 1g47 s LEU 30 N -5.19 2.38 0.09 1.80 1.02 -1.26 -1.67 118.68 115.84 1g47 s LEU 30 Ca 0.57 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 54.17 1g47 s LEU 30 Cb -0.11 -1.41 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1g47 s LEU 30 CO 0.48 0.27 0.17 -0.31 0.02 0.00 0.00 176.35 176.98 1g47 s TYR 31 N -0.82 0.19 0.71 0.29 1.51 0.32 -1.83 117.35 117.72 1g47 s TYR 31 Ca 0.13 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1g47 s TYR 31 Cb -0.10 -0.09 0.11 0.00 -0.11 0.00 0.00 41.96 41.77 1g47 s TYR 31 CO 0.03 -0.53 0.98 -1.01 -1.11 0.00 0.00 175.55 173.90 1g47 s HIS 32 N -3.87 1.82 -1.94 2.71 3.76 -1.26 -0.98 115.29 115.53 1g47 s HIS 32 Ca 0.05 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1g47 s HIS 32 Cb 0.05 -3.01 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1g47 s HIS 32 CO -0.11 -1.62 0.83 -0.85 -0.85 0.00 0.00 174.74 172.15 1g47 n GLU 33 N -2.80 0.86 -2.70 1.40 -0.00 -1.25 -3.36 120.64 112.78 1g47 n GLU 33 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.23 1g47 n GLU 33 Cb 0.60 -1.03 0.12 0.00 -0.00 0.00 0.00 31.44 31.13 1g47 n GLU 33 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1g47 n GLN 34 N -0.47 1.20 0.00 3.44 7.27 -1.26 0.22 117.38 127.79 1g47 n GLN 34 Ca 0.00 -1.89 0.00 0.00 0.07 0.00 0.00 57.00 55.18 1g47 n GLN 34 Cb 0.01 -0.10 0.00 0.00 2.41 0.00 0.00 30.24 32.57 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 -0.02 1.57 -4.48 0.00 3.01 -1.25 -4.66 117.46 111.63 1g47 n PHE 36 Ca 0.00 0.81 -0.23 0.00 1.01 0.00 0.00 57.45 59.04 1g47 n PHE 36 Cb 0.00 -2.32 -0.09 0.00 -0.01 0.00 0.00 39.48 37.05 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 4.71 0.93 -0.26 -4.37 -7.23 -1.26 0.33 120.40 113.24 1g47 s VAL 37 Ca 1.10 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.09 1g47 s VAL 37 Cb -1.36 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 1g47 s VAL 37 CO 0.70 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 176.02 1g47 n ALA 39 N 5.57 0.73 -0.00 0.00 0.00 0.27 0.14 120.51 127.23 1g47 n ALA 39 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1g47 n ALA 39 Cb 0.50 -0.69 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 1g47 n ALA 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g47 n GLN 40 N -1.27 0.02 0.08 0.00 6.02 -1.26 -4.72 117.38 116.26 1g47 n GLN 40 Ca 0.00 0.01 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 1g47 n GLN 40 Cb 0.13 -0.26 0.46 0.00 1.02 0.00 0.00 30.24 31.60 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 -2.05 -0.07 -1.89 0.00 3.72 0.38 -4.84 117.46 112.72 1g47 n PHE 42 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 1g47 n PHE 42 Cb 0.34 -2.87 -0.03 0.00 -0.94 0.00 0.00 39.48 35.98 1g47 n PHE 42 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1g47 s GLN 43 N -3.10 4.20 0.29 -1.08 1.03 -1.26 -4.29 119.66 115.44 1g47 s GLN 43 Ca 0.00 2.41 -0.13 0.00 0.04 0.00 0.00 55.36 57.68 1g47 s GLN 43 Cb 0.00 -3.13 -0.08 0.00 0.03 0.00 0.00 33.01 29.83 1g47 s GLN 43 CO 0.00 -0.63 0.67 1.14 -2.54 0.00 0.00 175.29 173.93 1g47 s GLN 44 N 1.03 3.93 -0.12 9.60 1.03 -1.26 -2.23 119.66 131.63 1g47 s GLN 44 Ca 0.70 0.53 -0.02 0.00 0.04 0.00 0.00 55.36 56.61 1g47 s GLN 44 Cb -0.45 -2.51 0.04 0.00 0.03 0.00 0.00 33.01 30.12 1g47 s GLN 44 CO 0.32 0.22 0.02 0.12 -2.54 0.00 0.00 175.29 173.43 1g47 s PHE 45 N -1.92 0.74 -0.25 9.60 2.19 0.15 -4.96 117.98 123.54 1g47 s PHE 45 Ca 0.52 -0.41 -0.29 0.00 0.33 0.00 0.00 56.93 57.07 1g47 s PHE 45 Cb -0.11 -0.87 -0.06 0.00 -1.31 0.00 0.00 43.02 40.68 1g47 s PHE 45 CO 0.19 -0.44 2.22 -2.30 1.83 0.00 0.00 175.22 176.72 1g47 n PRO 46 N 5.13 1.77 -3.41 10.12 -0.02 -1.26 -3.32 135.00 144.01 1g47 n PRO 46 Ca -0.08 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 1g47 n PRO 46 Cb 0.49 -3.09 -0.05 0.00 -0.02 0.00 0.00 33.50 30.83 1g47 n PRO 46 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1g47 n GLU 47 N 8.66 -0.95 0.00 -0.52 0.28 0.13 -4.75 120.64 123.50 1g47 n GLU 47 Ca 0.32 0.05 -0.05 0.00 -0.16 0.00 0.00 57.16 57.33 1g47 n GLU 47 Cb 0.41 -1.98 -0.11 0.00 1.43 0.00 0.00 31.44 31.19 1g47 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1g47 n GLY 48 N -1.68 -1.09 2.30 -1.84 0.00 -1.21 -5.06 105.19 96.61 1g47 n GLY 48 Ca -0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.97 -5.82 0.00 0.99 0.00 -1.26 -5.08 117.00 102.86 1g47 n LEU 49 Ca -0.13 2.26 0.00 0.00 0.00 0.00 0.00 56.01 58.14 1g47 n LEU 49 Cb 0.95 -2.97 0.00 0.00 0.00 0.00 0.00 43.42 41.40 1g47 n LEU 49 CO 0.44 -3.01 0.00 2.22 0.00 0.00 0.00 177.39 177.04 1g47 n PHE 50 N 1.54 0.00 -1.90 1.96 1.16 -1.26 -4.98 117.46 113.98 1g47 n PHE 50 Ca -0.18 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.04 1g47 n PHE 50 Cb 0.28 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.13 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 2.32 -2.37 2.97 4.01 0.72 -4.96 117.16 119.84 1g47 n TYR 51 Ca 0.00 -2.50 -0.41 0.00 -0.16 0.00 0.00 57.90 54.83 1g47 n TYR 51 Cb 0.00 -1.60 -0.03 0.00 -0.31 0.00 0.00 39.34 37.40 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 -1.79 4.51 0.21 -0.72 1.03 -1.26 -1.66 118.70 119.02 1g47 s GLU 52 Ca 0.54 1.88 -0.01 0.00 0.03 0.00 0.00 54.97 57.42 1g47 s GLU 52 Cb 0.26 -3.22 -0.04 0.00 -0.80 0.00 0.00 34.13 30.33 1g47 s GLU 52 CO -0.15 -0.04 0.13 0.12 -1.33 0.00 0.00 175.26 173.98 1g47 s PHE 53 N -0.31 1.22 -0.25 4.83 5.36 -0.03 -4.79 117.98 124.01 1g47 s PHE 53 Ca 0.51 -1.36 -0.29 0.00 -0.96 0.00 0.00 56.93 54.83 1g47 s PHE 53 Cb -0.33 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.72 1g47 s PHE 53 CO 0.38 -0.61 1.68 -2.00 -1.46 0.00 0.00 175.22 173.22 1g47 s GLU 54 N -4.13 3.65 0.00 10.12 2.12 -1.26 -2.39 118.70 126.81 1g47 s GLU 54 Ca 0.39 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.32 1g47 s GLU 54 Cb 0.07 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.37 1g47 s GLU 54 CO 0.13 -1.47 0.00 0.41 -0.54 0.00 0.00 175.26 173.78 1g47 n GLY 55 N 4.92 2.31 2.80 -1.50 0.00 -1.26 -4.90 105.19 107.55 1g47 n GLY 55 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.02 0.33 0.04 1.61 0.52 -1.01 -5.12 118.95 115.31 1g47 s ARG 56 Ca 0.00 -0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 1g47 s ARG 56 Cb 0.00 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1g47 s ARG 56 CO 0.00 -0.97 -0.06 -1.59 0.02 0.00 0.00 175.30 172.70 1g47 s LYS 57 N 2.41 2.47 -0.03 3.54 0.00 -1.26 -0.85 119.74 126.01 1g47 s LYS 57 Ca 0.09 -0.81 -0.07 0.00 0.00 0.00 0.00 55.97 55.19 1g47 s LYS 57 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 37.83 35.23 1g47 s LYS 57 CO -0.29 0.57 0.16 0.71 0.00 0.00 0.00 175.35 176.49 1g47 s TYR 58 N -1.10 -0.08 0.43 1.78 2.02 -0.67 -0.57 117.35 119.16 1g47 s TYR 58 Ca 0.20 0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.98 1g47 s TYR 58 Cb -0.11 0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.40 1g47 s TYR 58 CO 0.11 -0.19 0.78 0.00 -1.57 0.00 0.00 175.55 174.68 1g47 n GLU 60 N -1.56 0.08 0.00 0.00 2.13 -1.26 -2.69 120.64 117.34 1g47 n GLU 60 Ca 0.02 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1g47 n GLU 60 Cb 0.54 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.14 1g47 n GLU 60 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1g47 n HIS 61 N -1.98 0.00 -0.00 4.31 -0.00 -1.26 0.16 115.22 116.44 1g47 n HIS 61 Ca -0.01 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.22 1g47 n HIS 61 Cb 0.38 -0.44 0.44 0.00 -0.12 0.00 0.00 29.99 30.25 1g47 n HIS 61 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1g47 h ASP 62 N 0.00 0.45 0.48 0.26 3.32 -1.90 -1.79 116.42 117.24 1g47 h ASP 62 Ca 0.00 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 1g47 h ASP 62 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1g47 h ASP 62 CO 0.00 0.32 -1.10 -0.26 -1.72 0.00 0.00 179.24 176.48 1g47 h PHE 63 N 0.53 0.56 0.00 4.55 -1.00 -1.54 -2.94 116.94 117.11 1g47 h PHE 63 Ca 0.16 -0.36 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 1g47 h PHE 63 Cb 0.00 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 1g47 h PHE 63 CO -0.00 1.22 -0.03 -0.56 -1.61 0.00 0.00 178.31 177.33 1g47 h GLN 64 N 0.15 0.00 -0.35 1.51 3.07 0.19 -2.17 115.11 117.51 1g47 h GLN 64 Ca -0.11 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.49 1g47 h GLN 64 Cb 1.78 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.34 1g47 h GLN 64 CO 0.19 0.03 -0.30 1.98 0.09 0.00 0.00 178.83 180.81 1g47 h MET 65 N 0.00 0.83 0.00 0.06 4.05 -1.23 -1.96 114.93 116.67 1g47 h MET 65 Ca -0.00 -0.42 -0.05 0.00 -0.28 0.00 0.00 59.70 58.95 1g47 h MET 65 Cb 0.64 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1g47 h MET 65 CO 0.00 1.05 -0.24 -0.07 0.23 0.00 0.00 176.91 177.89 1g47 h LEU 66 N 0.62 0.00 -2.35 3.39 3.38 -1.27 -3.48 115.31 115.60 1g47 h LEU 66 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1g47 h LEU 66 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1g47 h LEU 66 CO 0.08 0.24 -0.68 0.33 0.09 0.00 0.00 178.44 178.50 1g47 n PHE 67 N -3.81 -3.07 -3.65 1.13 -0.00 -0.74 -5.01 117.46 102.31 1g47 n PHE 67 Ca -0.02 1.33 -0.28 0.00 -0.00 0.00 0.00 57.45 58.49 1g47 n PHE 67 Cb 0.34 -3.52 -0.11 0.00 -0.00 0.00 0.00 39.48 36.19 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g47 s ALA 68 N -1.56 2.64 1.05 3.13 0.00 -1.26 -5.08 121.76 120.68 1g47 s ALA 68 Ca 0.05 -3.17 -0.12 0.00 0.00 0.00 0.00 51.96 48.73 1g47 s ALA 68 Cb -0.02 -1.89 0.22 0.00 0.00 0.00 0.00 23.12 21.44 1g47 s ALA 68 CO 0.62 -2.04 1.07 -1.25 0.00 0.00 0.00 175.76 174.16 1g47 s PRO 69 N -0.73 -0.03 0.00 0.00 0.04 -1.26 -5.09 135.00 127.93 1g47 s PRO 69 Ca 0.29 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.47 1g47 s PRO 69 Cb -0.00 -1.65 0.82 0.00 0.04 0.00 0.00 34.50 33.72 1g47 s PRO 69 CO -0.18 -3.17 1.25 0.00 0.04 0.00 0.00 177.00 174.93