#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 0.00 -1.33 3.04 0.00 -1.26 -4.63 120.51 116.34 1g47 n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1g47 n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 -5.23 -0.78 0.00 2.85 -1.26 -4.73 115.26 106.11 1g47 n ASN 3 Ca 0.00 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1g47 n ASN 3 Cb 0.00 -3.72 0.00 0.00 1.24 0.00 0.00 39.78 37.30 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1g47 n ALA 4 N 1.21 0.00 -2.72 5.20 0.00 -1.26 -4.65 120.51 118.29 1g47 n ALA 4 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1g47 n ALA 4 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 4.26 0.29 0.00 2.01 -1.26 -4.97 118.68 119.01 1g47 s LEU 5 Ca 0.00 0.50 0.09 0.00 0.01 0.00 0.00 54.13 54.73 1g47 s LEU 5 Cb 0.00 -2.34 0.42 0.00 0.01 0.00 0.00 46.19 44.29 1g47 s LEU 5 CO 0.00 0.14 1.66 0.00 1.01 0.00 0.00 176.35 179.16 1g47 h ALA 6 N 6.47 1.05 -2.90 4.21 0.00 -1.95 -3.46 119.26 122.68 1g47 h ALA 6 Ca -0.42 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 1g47 h ALA 6 Cb 1.17 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1g47 h ALA 6 CO 0.74 0.67 0.10 -1.12 0.00 0.00 0.00 179.25 179.64 1g47 s SER 7 N -6.88 -0.41 0.19 0.00 0.01 -1.26 -5.07 113.70 100.27 1g47 s SER 7 Ca -0.03 -0.18 -0.23 0.00 1.31 0.00 0.00 55.95 56.83 1g47 s SER 7 Cb 0.13 0.56 0.05 0.00 0.21 0.00 0.00 66.02 66.97 1g47 s SER 7 CO 0.76 -0.95 0.73 0.00 0.41 0.00 0.00 173.24 174.19 1g47 s ALA 8 N -3.79 -1.47 0.22 1.44 0.00 -1.26 -5.09 121.76 111.82 1g47 s ALA 8 Ca 0.03 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.25 1g47 s ALA 8 Cb -0.00 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1g47 s ALA 8 CO -0.11 -0.91 -0.19 0.95 0.00 0.00 0.00 175.76 175.50 1g47 s THR 9 N -3.69 2.12 0.79 0.00 -4.23 -1.26 -2.18 115.64 107.18 1g47 s THR 9 Ca 0.07 -2.20 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 1g47 s THR 9 Cb -0.03 -2.11 0.07 0.00 1.34 0.00 0.00 72.50 71.77 1g47 s THR 9 CO -0.02 -0.40 1.13 0.00 -0.54 0.00 0.00 174.62 174.79 1g47 h GLU 11 N -1.00 -0.48 0.14 0.00 4.81 -1.32 -0.90 114.58 115.83 1g47 h GLU 11 Ca -0.45 0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.56 1g47 h GLU 11 Cb 1.26 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.75 1g47 h GLU 11 CO 0.49 -0.19 -1.26 -0.09 -0.73 0.00 0.00 179.01 177.22 1g47 h ARG 12 N -1.01 0.29 0.00 1.92 1.12 -1.86 -3.37 114.38 111.47 1g47 h ARG 12 Ca -0.05 -0.49 -0.07 0.00 -1.11 0.00 0.00 59.98 58.26 1g47 h ARG 12 Cb 0.51 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1g47 h ARG 12 CO 0.08 1.24 -1.08 0.00 -3.11 0.00 0.00 179.97 177.10 1g47 n LYS 14 N -2.80 -7.49 -3.20 0.00 3.00 -0.34 -4.82 118.16 102.50 1g47 n LYS 14 Ca -0.03 0.80 -0.39 0.00 -0.00 0.00 0.00 58.31 58.68 1g47 n LYS 14 Cb 0.66 -5.82 -0.06 0.00 0.00 0.00 0.00 35.03 29.81 1g47 n LYS 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1g47 s GLY 15 N -3.29 2.17 -0.60 3.14 0.00 -1.26 -4.36 107.32 103.11 1g47 s GLY 15 Ca 0.59 -0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.77 1g47 s GLY 15 CO 0.73 1.10 2.30 -0.32 0.00 0.00 0.00 173.10 176.91 1g47 s GLY 16 N 1.04 -0.39 0.10 0.20 0.00 -1.26 -2.04 107.32 104.96 1g47 s GLY 16 Ca 0.27 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.64 1g47 s GLY 16 CO 0.11 4.01 0.07 1.97 0.00 0.00 0.00 173.10 179.26 1g47 n PHE 17 N 15.94 -1.28 0.07 1.90 1.16 -0.93 -5.00 117.46 129.33 1g47 n PHE 17 Ca 0.37 -0.43 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 1g47 n PHE 17 Cb 0.51 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.30 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 -2.79 0.00 -1.75 1.98 0.00 -1.26 -4.09 120.51 112.60 1g47 n ALA 18 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1g47 n ALA 18 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.90 2.56 0.10 0.00 -0.02 -1.26 -4.55 135.00 128.92 1g47 n PRO 19 Ca 0.00 0.90 0.20 0.00 -2.02 0.00 0.00 63.50 62.58 1g47 n PRO 19 Cb 0.00 -2.61 0.76 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.33 2.10 0.00 3.55 0.00 -2.01 0.74 119.26 126.96 1g47 h ALA 20 Ca -0.49 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1g47 h ALA 20 Cb 1.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1g47 h ALA 20 CO 0.67 -0.60 -0.51 1.49 0.00 0.00 0.00 179.25 180.31 1g47 h GLU 21 N 0.00 0.00 0.03 0.00 4.22 -2.01 -3.32 114.58 113.49 1g47 h GLU 21 Ca 0.18 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.25 1g47 h GLU 21 Cb 0.98 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1g47 h GLU 21 CO -0.00 0.51 -2.14 1.63 -2.18 0.00 0.00 179.01 176.83 1g47 n LYS 22 N -3.39 0.65 -3.87 1.92 4.76 0.16 -4.65 118.16 113.74 1g47 n LYS 22 Ca 0.01 0.29 -0.33 0.00 -2.87 0.00 0.00 58.31 55.40 1g47 n LYS 22 Cb 0.66 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 1g47 n LYS 22 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1g47 s ILE 23 N -2.50 5.40 -0.02 -0.18 2.07 0.20 -4.18 121.20 122.00 1g47 s ILE 23 Ca -0.32 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 1g47 s ILE 23 Cb 0.09 -3.55 0.01 0.00 0.13 0.00 0.00 42.46 39.14 1g47 s ILE 23 CO 0.61 0.32 -0.04 -0.69 -1.91 0.00 0.00 174.94 173.23 1g47 s VAL 24 N -1.33 0.44 0.02 4.00 1.01 0.26 -4.38 120.40 120.41 1g47 s VAL 24 Ca 0.28 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.20 1g47 s VAL 24 Cb -0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1g47 s VAL 24 CO 0.19 0.16 -0.26 0.21 0.00 0.00 0.00 175.10 175.40 1g47 s ASN 25 N 0.42 3.10 -0.27 3.32 2.47 -1.26 0.15 114.94 122.87 1g47 s ASN 25 Ca -0.05 -0.53 -0.21 0.00 0.42 0.00 0.00 52.86 52.49 1g47 s ASN 25 Cb -0.09 -0.31 0.08 0.00 -1.45 0.00 0.00 41.25 39.48 1g47 s ASN 25 CO -0.00 0.28 0.71 -0.94 -3.72 0.00 0.00 177.10 173.43 1g47 s SER 26 N -0.95 -0.84 0.00 -4.21 1.04 -0.76 -4.92 113.70 103.06 1g47 s SER 26 Ca 0.11 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1g47 s SER 26 Cb -0.10 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.45 1g47 s SER 26 CO 0.01 -0.24 0.00 -0.46 0.98 0.00 0.00 173.24 173.52 1g47 n ASN 27 N 3.47 0.00 0.00 7.02 6.94 -1.26 -2.12 115.26 129.31 1g47 n ASN 27 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1g47 n ASN 27 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1g47 n GLY 28 N 0.00 0.10 3.93 4.83 0.00 -1.26 -4.85 105.19 107.94 1g47 n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.02 0.01 1.61 8.01 -0.90 -5.09 118.70 125.37 1g47 s GLU 29 Ca 0.00 -0.17 0.06 0.00 0.01 0.00 0.00 54.97 54.86 1g47 s GLU 29 Cb 0.00 -2.39 -0.03 0.00 -4.31 0.00 0.00 34.13 27.40 1g47 s GLU 29 CO 0.00 -0.50 -0.15 -0.51 0.01 0.00 0.00 175.26 174.12 1g47 s LEU 30 N -4.81 2.76 0.21 1.80 1.43 -1.26 -1.82 118.68 116.99 1g47 s LEU 30 Ca 0.51 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1g47 s LEU 30 Cb -0.10 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1g47 s LEU 30 CO 0.42 0.28 0.14 -0.31 0.23 0.00 0.00 176.35 177.11 1g47 s TYR 31 N -0.90 1.19 0.31 0.29 1.51 0.41 -0.76 117.35 119.40 1g47 s TYR 31 Ca 0.15 -1.40 0.05 0.00 -1.01 0.00 0.00 57.07 54.86 1g47 s TYR 31 Cb -0.11 -0.57 0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1g47 s TYR 31 CO 0.05 -0.66 0.39 0.72 -1.11 0.00 0.00 175.55 174.94 1g47 n HIS 32 N -0.29 -2.30 1.03 2.71 8.25 -1.26 0.93 115.22 124.28 1g47 n HIS 32 Ca 0.02 -1.16 0.12 0.00 -0.26 0.00 0.00 57.72 56.44 1g47 n HIS 32 Cb 0.66 -0.29 0.58 0.00 1.12 0.00 0.00 29.99 32.06 1g47 n HIS 32 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1g47 n GLU 33 N -1.59 0.21 -2.72 -0.41 1.02 -1.26 -3.61 120.64 112.28 1g47 n GLU 33 Ca 0.07 0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1g47 n GLU 33 Cb 0.33 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 1g47 n GLU 33 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1g47 n GLN 34 N -1.38 1.33 0.00 3.49 7.27 -1.26 -0.07 117.38 126.76 1g47 n GLN 34 Ca 0.09 -2.77 0.00 0.00 0.07 0.00 0.00 57.00 54.39 1g47 n GLN 34 Cb 0.23 -0.88 0.00 0.00 2.41 0.00 0.00 30.24 32.00 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 -0.63 0.96 -3.90 0.00 3.01 -1.26 -4.68 117.46 110.97 1g47 n PHE 36 Ca 0.00 0.26 -0.21 0.00 1.01 0.00 0.00 57.45 58.51 1g47 n PHE 36 Cb 0.00 -2.50 -0.04 0.00 -0.01 0.00 0.00 39.48 36.94 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 10.42 3.97 -0.06 -4.37 -7.23 -1.26 -0.05 120.40 121.81 1g47 s VAL 37 Ca 1.19 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 59.79 1g47 s VAL 37 Cb -0.77 -3.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 1g47 s VAL 37 CO 0.39 -0.24 0.70 0.00 -0.31 0.00 0.00 175.10 175.63 1g47 n ALA 39 N 3.71 1.33 0.02 0.00 0.00 0.23 -0.02 120.51 125.78 1g47 n ALA 39 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1g47 n ALA 39 Cb 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.22 0.00 0.05 0.00 6.02 -1.26 -4.75 117.38 116.21 1g47 n GLN 40 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1g47 n GLN 40 Cb 0.01 -0.20 0.47 0.00 1.02 0.00 0.00 30.24 31.54 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 -1.82 -0.11 -2.47 0.00 3.72 0.97 -4.85 117.46 112.91 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 0.30 -2.72 -0.03 0.00 -0.94 0.00 0.00 39.48 36.09 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 -2.97 4.47 0.68 -1.08 -2.07 -1.26 -4.37 119.66 113.06 1g47 s GLN 43 Ca 0.00 1.72 -0.11 0.00 -1.82 0.00 0.00 55.36 55.15 1g47 s GLN 43 Cb 0.00 -3.35 -0.00 0.00 -1.09 0.00 0.00 33.01 28.57 1g47 s GLN 43 CO 0.00 -0.18 1.07 1.14 -1.32 0.00 0.00 175.29 176.00 1g47 s GLN 44 N 0.81 3.07 -0.06 9.60 0.00 -1.26 -2.00 119.66 129.83 1g47 s GLN 44 Ca 0.56 0.60 0.00 0.00 -0.00 0.00 0.00 55.36 56.53 1g47 s GLN 44 Cb -0.28 -2.03 0.02 0.00 0.00 0.00 0.00 33.01 30.72 1g47 s GLN 44 CO 0.30 -0.92 -0.03 0.12 0.00 0.00 0.00 175.29 174.77 1g47 s PHE 45 N -3.26 0.73 1.44 9.60 2.19 0.92 -4.91 117.98 124.69 1g47 s PHE 45 Ca 0.57 -0.21 -0.23 0.00 0.33 0.00 0.00 56.93 57.39 1g47 s PHE 45 Cb -0.11 -0.73 0.37 0.00 -1.31 0.00 0.00 43.02 41.23 1g47 s PHE 45 CO 0.53 -0.26 0.92 -1.25 1.83 0.00 0.00 175.22 176.99 1g47 s PRO 46 N 1.37 -3.09 0.00 10.12 0.04 -1.26 -3.24 135.00 138.93 1g47 s PRO 46 Ca -0.04 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1g47 s PRO 46 Cb -0.13 -1.36 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1g47 s PRO 46 CO -0.03 -4.98 0.00 -0.85 0.04 0.00 0.00 177.00 171.19 1g47 n GLU 47 N -5.70 0.00 -2.15 4.56 0.28 -0.71 -3.97 120.64 112.94 1g47 n GLU 47 Ca 0.13 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.08 1g47 n GLU 47 Cb 0.60 -0.74 0.02 0.00 1.43 0.00 0.00 31.44 32.75 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 0.00 0.29 3.38 -1.84 0.00 0.90 -4.83 105.19 103.09 1g47 n GLY 48 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.49 -0.27 0.00 0.99 0.20 -1.25 -4.94 118.68 109.91 1g47 s LEU 49 Ca 0.08 0.39 0.00 0.00 0.69 0.00 0.00 54.13 55.28 1g47 s LEU 49 Cb -0.01 1.33 0.00 0.00 -0.43 0.00 0.00 46.19 47.08 1g47 s LEU 49 CO 0.21 -0.06 0.00 2.22 -0.29 0.00 0.00 176.35 178.43 1g47 n PHE 50 N 4.32 0.00 -1.88 5.38 1.16 -1.26 -4.98 117.46 120.20 1g47 n PHE 50 Ca -0.10 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.09 1g47 n PHE 50 Cb 0.55 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.41 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 2.46 -1.10 2.97 4.01 0.83 -4.98 117.16 121.35 1g47 n TYR 51 Ca 0.00 -2.75 -0.31 0.00 -0.16 0.00 0.00 57.90 54.68 1g47 n TYR 51 Cb 0.00 -1.84 0.11 0.00 -0.31 0.00 0.00 39.34 37.30 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 -0.94 1.91 0.34 -0.72 4.04 -1.25 -1.07 118.70 121.02 1g47 s GLU 52 Ca 0.56 1.27 -0.13 0.00 0.04 0.00 0.00 54.97 56.72 1g47 s GLU 52 Cb 0.20 -1.85 0.03 0.00 0.02 0.00 0.00 34.13 32.53 1g47 s GLU 52 CO -0.10 -1.92 0.66 -0.06 -1.84 0.00 0.00 175.26 171.99 1g47 s PHE 53 N -2.84 0.36 -0.15 4.83 0.08 0.22 -4.78 117.98 115.71 1g47 s PHE 53 Ca 0.63 -0.85 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 1g47 s PHE 53 Cb -0.19 0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 42.71 1g47 s PHE 53 CO 0.57 -1.33 1.75 -1.83 -0.10 0.00 0.00 175.22 174.28 1g47 s GLU 54 N -2.96 3.83 0.00 0.44 -1.05 -1.26 -2.55 118.70 115.15 1g47 s GLU 54 Ca 0.20 1.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.96 1g47 s GLU 54 Cb -0.03 -4.09 0.00 0.00 -0.44 0.00 0.00 34.13 29.57 1g47 s GLU 54 CO 0.13 -1.27 0.00 0.41 0.95 0.00 0.00 175.26 175.48 1g47 n GLY 55 N 4.69 0.61 3.09 -3.83 0.00 -1.26 -4.90 105.19 103.59 1g47 n GLY 55 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.42 0.25 0.08 1.61 1.81 -1.06 -5.13 118.95 116.10 1g47 s ARG 56 Ca 0.00 0.44 0.10 0.00 -1.72 0.00 0.00 55.73 54.55 1g47 s ARG 56 Cb 0.00 0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1g47 s ARG 56 CO 0.00 -0.10 -0.26 -1.59 -0.68 0.00 0.00 175.30 172.67 1g47 s LYS 57 N 0.70 1.58 -0.03 3.54 -2.85 -1.26 0.70 119.74 122.12 1g47 s LYS 57 Ca -0.05 -1.20 -0.01 0.00 -1.00 0.00 0.00 55.97 53.71 1g47 s LYS 57 Cb -0.06 -1.89 0.03 0.00 -2.06 0.00 0.00 37.83 33.84 1g47 s LYS 57 CO -0.04 0.47 0.07 0.71 0.10 0.00 0.00 175.35 176.66 1g47 s TYR 58 N -0.93 -0.05 0.92 1.78 2.02 -0.23 0.75 117.35 121.62 1g47 s TYR 58 Ca 0.12 0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.92 1g47 s TYR 58 Cb -0.10 -0.14 0.18 0.00 -0.40 0.00 0.00 41.96 41.50 1g47 s TYR 58 CO 0.04 -0.10 1.28 0.00 -1.57 0.00 0.00 175.55 175.20 1g47 h GLU 60 N -1.48 0.00 0.17 0.00 4.57 -1.95 -2.77 114.58 113.11 1g47 h GLU 60 Ca -0.44 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1g47 h GLU 60 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1g47 h GLU 60 CO 0.41 0.00 -0.08 1.25 -1.18 0.00 0.00 179.01 179.41 1g47 h HIS 61 N 0.00 -0.21 -0.60 0.92 -0.00 -1.96 0.14 115.15 113.44 1g47 h HIS 61 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.46 1g47 h HIS 61 Cb 0.22 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.63 1g47 h HIS 61 CO 0.00 -0.13 0.20 0.22 -0.00 0.00 0.00 177.93 178.22 1g47 h ASP 62 N -0.34 0.17 -0.15 3.26 3.58 -1.87 0.62 116.42 121.69 1g47 h ASP 62 Ca -0.02 0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1g47 h ASP 62 Cb 0.17 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1g47 h ASP 62 CO 0.04 0.10 -0.21 0.15 -2.88 0.00 0.00 179.24 176.44 1g47 h PHE 63 N 0.37 0.64 -0.00 0.28 3.57 -1.58 -1.85 116.94 118.37 1g47 h PHE 63 Ca 0.31 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1g47 h PHE 63 Cb 0.40 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1g47 h PHE 63 CO -0.19 0.75 -0.02 0.00 -2.23 0.00 0.00 178.31 176.62 1g47 n GLN 64 N -4.13 0.64 0.07 1.11 -0.00 0.51 -1.02 117.38 114.55 1g47 n GLN 64 Ca 0.00 -0.06 -0.17 0.00 -0.00 0.00 0.00 57.00 56.78 1g47 n GLN 64 Cb 0.40 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 29.00 1g47 n GLN 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1g47 h MET 65 N 0.14 0.26 0.00 2.61 2.86 -0.08 -3.36 114.93 117.35 1g47 h MET 65 Ca 0.00 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1g47 h MET 65 Cb 0.23 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1g47 h MET 65 CO 0.00 1.14 -0.06 -0.07 1.06 0.00 0.00 176.91 178.97 1g47 h LEU 66 N 0.07 0.00 0.00 1.22 3.38 -1.31 -3.48 115.31 115.19 1g47 h LEU 66 Ca -0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1g47 h LEU 66 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1g47 h LEU 66 CO 0.17 0.61 0.00 0.49 0.09 0.00 0.00 178.44 179.81 1g47 n PHE 67 N -4.73 0.00 -3.49 1.13 3.72 -0.19 -5.13 117.46 108.77 1g47 n PHE 67 Ca -0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 1g47 n PHE 67 Cb 0.11 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.51 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g47 s ALA 68 N 0.00 0.32 -0.45 4.37 0.00 -1.06 -4.79 121.76 120.14 1g47 s ALA 68 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1g47 s ALA 68 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 1g47 s ALA 68 CO 0.00 -1.70 2.31 -1.25 0.00 0.00 0.00 175.76 175.11 1g47 s PRO 69 N 2.10 2.36 0.00 0.00 0.05 -1.26 -4.66 135.00 133.59 1g47 s PRO 69 Ca 0.10 1.44 0.00 0.00 0.05 0.00 0.00 61.00 62.59 1g47 s PRO 69 Cb -0.16 -4.52 0.00 0.00 0.05 0.00 0.00 34.50 29.87 1g47 s PRO 69 CO -0.33 -2.98 0.00 0.00 0.05 0.00 0.00 177.00 173.74