#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 6.64 -1.97 3.04 0.00 -1.26 -4.78 120.51 122.18 1g47 n ALA 2 Ca 0.00 -2.34 -0.42 0.00 0.00 0.00 0.00 53.44 50.68 1g47 n ALA 2 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1g47 n ALA 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g47 n ASN 3 N 2.56 4.21 -3.66 0.00 4.13 -1.26 -4.82 115.26 116.42 1g47 n ASN 3 Ca 0.51 -2.88 -0.07 0.00 1.68 0.00 0.00 54.58 53.82 1g47 n ASN 3 Cb 0.73 -1.66 -0.08 0.00 -1.54 0.00 0.00 39.78 37.23 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g47 s ALA 4 N 3.11 -1.52 -0.26 5.41 0.00 -1.26 -5.15 121.76 122.10 1g47 s ALA 4 Ca 0.48 1.93 -0.18 0.00 0.00 0.00 0.00 51.96 54.19 1g47 s ALA 4 Cb 0.11 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.93 1g47 s ALA 4 CO -0.05 -0.61 0.65 -1.17 0.00 0.00 0.00 175.76 174.58 1g47 s LEU 5 N 2.20 -0.70 0.00 0.00 0.20 -1.26 -5.02 118.68 114.09 1g47 s LEU 5 Ca -0.06 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.14 1g47 s LEU 5 Cb -0.10 2.22 0.00 0.00 -0.43 0.00 0.00 46.19 47.89 1g47 s LEU 5 CO -0.16 -0.23 0.00 0.00 -0.29 0.00 0.00 176.35 175.67 1g47 n ALA 6 N 3.77 0.00 -2.07 5.97 0.00 -1.26 -5.08 120.51 121.85 1g47 n ALA 6 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1g47 n ALA 6 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1g47 n ALA 6 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g47 s SER 7 N -0.53 6.29 0.13 0.00 1.04 -1.26 -4.77 113.70 114.59 1g47 s SER 7 Ca 0.00 1.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.97 1g47 s SER 7 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1g47 s SER 7 CO 0.00 -1.33 0.23 0.00 0.98 0.00 0.00 173.24 173.12 1g47 s ALA 8 N 5.49 -0.08 0.18 5.32 0.00 -1.26 -5.09 121.76 126.33 1g47 s ALA 8 Ca 0.74 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1g47 s ALA 8 Cb -0.25 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1g47 s ALA 8 CO 0.30 -0.58 -0.15 0.95 0.00 0.00 0.00 175.76 176.29 1g47 s THR 9 N -3.92 1.69 0.91 0.00 -4.23 -1.26 -2.04 115.64 106.78 1g47 s THR 9 Ca 0.12 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1g47 s THR 9 Cb 0.04 -1.94 0.14 0.00 1.34 0.00 0.00 72.50 72.08 1g47 s THR 9 CO -0.05 -0.52 1.13 0.00 -0.54 0.00 0.00 174.62 174.63 1g47 h GLU 11 N -1.78 0.02 0.03 0.00 4.22 -1.82 -1.37 114.58 113.88 1g47 h GLU 11 Ca -0.45 -0.04 -0.30 0.00 0.08 0.00 0.00 59.36 58.66 1g47 h GLU 11 Cb 1.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1g47 h GLU 11 CO 0.44 0.98 -1.68 0.07 -2.18 0.00 0.00 179.01 176.64 1g47 h ARG 12 N -0.91 0.06 0.00 1.92 -0.00 -1.88 -3.38 114.38 110.19 1g47 h ARG 12 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 59.87 1g47 h ARG 12 Cb 1.00 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 1g47 h ARG 12 CO 0.01 0.68 -1.47 0.00 -0.00 0.00 0.00 179.97 179.20 1g47 n LYS 14 N -1.87 -6.15 -3.10 0.00 4.76 -0.52 -4.80 118.16 106.48 1g47 n LYS 14 Ca -0.01 0.68 -0.40 0.00 -2.87 0.00 0.00 58.31 55.70 1g47 n LYS 14 Cb 0.37 -5.61 -0.06 0.00 -1.84 0.00 0.00 35.03 27.89 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 -3.25 2.11 -0.57 0.72 0.00 -1.26 -4.33 107.32 100.74 1g47 s GLY 15 Ca 0.62 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.87 1g47 s GLY 15 CO 0.77 1.30 2.37 -0.32 0.00 0.00 0.00 173.10 177.22 1g47 s GLY 16 N 1.14 -0.48 0.14 0.20 0.00 -1.26 -1.96 107.32 105.11 1g47 s GLY 16 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.82 1g47 s GLY 16 CO 0.11 4.11 0.13 1.97 0.00 0.00 0.00 173.10 179.42 1g47 n PHE 17 N 16.30 -1.70 0.00 1.90 1.16 -0.87 -4.99 117.46 129.27 1g47 n PHE 17 Ca 0.38 -0.59 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 1g47 n PHE 17 Cb 0.52 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 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 -2.74 0.00 -1.00 1.98 0.00 -1.26 -4.08 120.51 113.41 1g47 n ALA 18 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1g47 n ALA 18 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.74 135.00 128.98 1g47 n PRO 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1g47 n PRO 19 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1g47 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g47 n ALA 20 N -3.00 0.00 0.32 3.55 0.00 -1.26 -4.68 120.51 115.44 1g47 n ALA 20 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1g47 n ALA 20 Cb 0.00 0.00 1.10 0.00 0.00 0.00 0.00 19.45 20.55 1g47 n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g47 h GLU 21 N 0.00 0.00 0.00 0.00 4.39 -2.01 -1.90 114.58 115.06 1g47 h GLU 21 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1g47 h GLU 21 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1g47 h GLU 21 CO 0.00 0.01 -1.91 1.63 -1.16 0.00 0.00 179.01 177.58 1g47 n LYS 22 N -3.30 1.70 -3.36 2.33 5.02 -1.26 -3.78 118.16 115.51 1g47 n LYS 22 Ca -0.03 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 1g47 n LYS 22 Cb 0.09 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.38 5.13 -0.07 -0.18 -1.09 -0.71 -4.13 121.20 117.78 1g47 s ILE 23 Ca -0.07 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1g47 s ILE 23 Cb 0.04 -3.81 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1g47 s ILE 23 CO 0.56 -0.03 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.55 1g47 s VAL 24 N 2.12 0.39 0.04 2.92 1.01 -0.33 -4.42 120.40 122.14 1g47 s VAL 24 Ca 0.15 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1g47 s VAL 24 Cb -0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1g47 s VAL 24 CO 0.11 0.26 -0.15 0.21 0.00 0.00 0.00 175.10 175.53 1g47 s ASN 25 N 1.92 4.02 -0.13 3.32 3.84 -1.26 0.83 114.94 127.48 1g47 s ASN 25 Ca 0.04 -0.36 -0.07 0.00 0.21 0.00 0.00 52.86 52.69 1g47 s ASN 25 Cb -0.12 -0.73 0.05 0.00 -0.55 0.00 0.00 41.25 39.90 1g47 s ASN 25 CO -0.05 0.26 0.31 -0.94 -2.79 0.00 0.00 177.10 173.88 1g47 s SER 26 N -1.49 -0.32 0.00 -4.21 1.04 -0.75 -4.98 113.70 102.99 1g47 s SER 26 Ca 0.16 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1g47 s SER 26 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1g47 s SER 26 CO 0.06 -0.18 0.00 0.59 0.98 0.00 0.00 173.24 174.69 1g47 n ASN 27 N 4.33 0.00 -0.43 7.02 4.13 -1.26 -1.74 115.26 127.31 1g47 n ASN 27 Ca -0.23 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1g47 n ASN 27 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1g47 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g47 n GLY 28 N 0.00 0.95 3.43 7.41 0.00 -1.26 -4.74 105.19 110.98 1g47 n GLY 28 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.55 -0.07 1.61 2.02 -0.71 -4.04 118.70 119.06 1g47 s GLU 29 Ca 0.00 -1.78 0.04 0.00 0.02 0.00 0.00 54.97 53.24 1g47 s GLU 29 Cb 0.00 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 33.06 1g47 s GLU 29 CO 0.00 0.04 -0.18 -0.51 0.02 0.00 0.00 175.26 174.63 1g47 s LEU 30 N -3.44 2.50 0.04 1.80 2.01 -1.26 -1.81 118.68 118.52 1g47 s LEU 30 Ca 0.29 -0.34 -0.02 0.00 0.01 0.00 0.00 54.13 54.08 1g47 s LEU 30 Cb 0.04 -1.50 -0.03 0.00 0.01 0.00 0.00 46.19 44.70 1g47 s LEU 30 CO 0.12 0.27 -0.01 -0.31 1.01 0.00 0.00 176.35 177.43 1g47 s TYR 31 N -0.30 0.40 0.75 0.29 1.51 0.24 -2.15 117.35 118.10 1g47 s TYR 31 Ca 0.01 -0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 55.16 1g47 s TYR 31 Cb -0.13 -0.30 0.16 0.00 -0.11 0.00 0.00 41.96 41.59 1g47 s TYR 31 CO 0.03 -0.33 1.02 0.72 -1.11 0.00 0.00 175.55 175.87 1g47 n HIS 32 N 0.57 -3.44 0.71 2.71 8.25 -1.26 -1.18 115.22 121.58 1g47 n HIS 32 Ca -0.17 -1.33 0.12 0.00 -0.26 0.00 0.00 57.72 56.07 1g47 n HIS 32 Cb 0.59 -0.77 0.47 0.00 1.12 0.00 0.00 29.99 31.41 1g47 n HIS 32 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1g47 n GLU 33 N -3.03 0.08 -2.92 -0.41 0.28 -1.25 -3.57 120.64 109.83 1g47 n GLU 33 Ca 0.15 0.17 -0.14 0.00 -0.16 0.00 0.00 57.16 57.17 1g47 n GLU 33 Cb 0.52 -1.61 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 1g47 n GLU 33 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1g47 n GLN 34 N -1.74 1.17 0.00 3.44 6.02 -1.26 0.12 117.38 125.12 1g47 n GLN 34 Ca 0.05 -3.39 0.00 0.00 -0.01 0.00 0.00 57.00 53.65 1g47 n GLN 34 Cb 0.29 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1g47 n GLN 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g47 n PHE 36 N 0.00 1.77 -4.22 0.00 3.72 -0.92 -4.60 117.46 113.21 1g47 n PHE 36 Ca 0.00 0.63 -0.13 0.00 -0.05 0.00 0.00 57.45 57.91 1g47 n PHE 36 Cb 0.17 -2.38 -0.10 0.00 -0.94 0.00 0.00 39.48 36.23 1g47 n PHE 36 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1g47 s VAL 37 N 2.24 0.80 -0.12 -4.37 -7.23 -1.26 0.17 120.40 110.63 1g47 s VAL 37 Ca 0.93 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.92 1g47 s VAL 37 Cb -1.06 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1g47 s VAL 37 CO 0.59 -0.68 0.58 0.00 -0.31 0.00 0.00 175.10 175.28 1g47 h ALA 39 N 6.93 1.21 0.00 0.00 0.00 0.14 0.71 119.26 128.24 1g47 h ALA 39 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1g47 h ALA 39 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1g47 h ALA 39 CO 0.76 -0.21 -0.12 1.04 0.00 0.00 0.00 179.25 180.72 1g47 n GLN 40 N -2.65 0.07 0.14 0.00 6.02 -1.26 -4.66 117.38 115.03 1g47 n GLN 40 Ca -0.02 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1g47 n GLN 40 Cb 0.27 -0.44 0.48 0.00 1.02 0.00 0.00 30.24 31.57 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 -2.31 -0.18 -1.69 0.00 3.01 0.25 -4.83 117.46 111.70 1g47 n PHE 42 Ca 0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.05 1g47 n PHE 42 Cb 0.29 -2.56 -0.04 0.00 -0.01 0.00 0.00 39.48 37.16 1g47 n PHE 42 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1g47 n GLN 43 N -1.31 2.55 -2.72 -1.08 0.00 -1.26 -4.31 117.38 109.25 1g47 n GLN 43 Ca -0.12 0.93 -0.38 0.00 -0.00 0.00 0.00 57.00 57.43 1g47 n GLN 43 Cb 0.49 -2.77 -0.06 0.00 0.00 0.00 0.00 30.24 27.90 1g47 n GLN 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1g47 s GLN 44 N 1.88 4.59 -0.05 3.69 1.03 -1.26 -2.74 119.66 126.80 1g47 s GLN 44 Ca 0.80 1.41 0.01 0.00 0.04 0.00 0.00 55.36 57.62 1g47 s GLN 44 Cb -0.56 -2.88 0.02 0.00 0.03 0.00 0.00 33.01 29.62 1g47 s GLN 44 CO 0.37 0.27 -0.04 0.12 -2.54 0.00 0.00 175.29 173.47 1g47 s PHE 45 N -1.51 0.76 0.00 9.60 2.19 0.45 -4.95 117.98 124.51 1g47 s PHE 45 Ca 0.49 -0.22 0.00 0.00 0.33 0.00 0.00 56.93 57.53 1g47 s PHE 45 Cb -0.21 -0.69 0.00 0.00 -1.31 0.00 0.00 43.02 40.80 1g47 s PHE 45 CO 0.27 -0.21 0.00 -0.35 1.83 0.00 0.00 175.22 176.75 1g47 n PRO 46 N 4.19 0.70 -0.74 10.12 -0.04 -1.26 -2.17 135.00 145.79 1g47 n PRO 46 Ca -0.22 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 1g47 n PRO 46 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 1g47 n PRO 46 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1g47 n GLU 47 N -0.20 1.80 0.00 0.54 0.00 0.31 -3.99 120.64 119.10 1g47 n GLU 47 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 57.16 56.17 1g47 n GLU 47 Cb 0.00 -2.13 0.07 0.00 0.00 0.00 0.00 31.44 29.37 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 3.14 0.25 1.30 8.31 0.00 -1.26 -5.07 105.19 111.86 1g47 n GLY 48 Ca 0.38 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 0.87 -0.84 0.00 0.99 0.00 -1.26 -5.08 117.00 111.69 1g47 n LEU 49 Ca 0.10 1.95 0.00 0.00 0.00 0.00 0.00 56.01 58.05 1g47 n LEU 49 Cb 0.42 -3.70 0.00 0.00 0.00 0.00 0.00 43.42 40.14 1g47 n LEU 49 CO 0.11 -2.44 0.00 2.22 0.00 0.00 0.00 177.39 177.29 1g47 n PHE 50 N -4.13 0.00 -2.50 1.96 -1.74 -1.26 -4.93 117.46 104.87 1g47 n PHE 50 Ca -0.05 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.57 1g47 n PHE 50 Cb 0.61 0.00 -0.00 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 3.44 -1.89 2.97 4.01 0.74 -4.97 117.16 121.46 1g47 n TYR 51 Ca 0.00 -3.15 -0.40 0.00 -0.16 0.00 0.00 57.90 54.19 1g47 n TYR 51 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -3.54 3.97 0.29 -0.72 1.03 -1.25 -1.79 118.70 116.67 1g47 s GLU 52 Ca 0.48 2.39 0.04 0.00 0.03 0.00 0.00 54.97 57.90 1g47 s GLU 52 Cb 0.40 -2.83 -0.04 0.00 -0.80 0.00 0.00 34.13 30.86 1g47 s GLU 52 CO -0.19 -0.58 0.19 -0.06 -1.33 0.00 0.00 175.26 173.30 1g47 s PHE 53 N -1.18 1.54 -0.09 4.83 0.40 -0.15 -4.83 117.98 118.49 1g47 s PHE 53 Ca 0.56 -1.48 -0.30 0.00 -0.60 0.00 0.00 56.93 55.11 1g47 s PHE 53 Cb -0.43 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1g47 s PHE 53 CO 0.56 -0.68 1.28 -1.83 0.70 0.00 0.00 175.22 175.25 1g47 s GLU 54 N -3.77 4.28 0.00 0.44 1.03 -1.26 -2.64 118.70 116.78 1g47 s GLU 54 Ca 0.38 1.74 0.00 0.00 0.03 0.00 0.00 54.97 57.12 1g47 s GLU 54 Cb 0.05 -3.67 0.00 0.00 -0.80 0.00 0.00 34.13 29.70 1g47 s GLU 54 CO 0.20 -0.60 0.00 0.41 -1.33 0.00 0.00 175.26 173.94 1g47 n GLY 55 N 3.55 0.12 3.38 -3.83 0.00 -1.26 -4.81 105.19 102.35 1g47 n GLY 55 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.32 1.38 -0.28 1.61 0.52 -1.08 -5.10 118.95 114.68 1g47 s ARG 56 Ca 0.00 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1g47 s ARG 56 Cb 0.00 0.36 0.12 0.00 0.52 0.00 0.00 34.95 35.95 1g47 s ARG 56 CO 0.00 -0.51 0.95 -1.59 0.02 0.00 0.00 175.30 174.16 1g47 s LYS 57 N -4.06 0.53 -0.04 3.54 -2.85 -1.26 -0.98 119.74 114.61 1g47 s LYS 57 Ca 0.32 0.73 -0.05 0.00 -1.00 0.00 0.00 55.97 55.96 1g47 s LYS 57 Cb 0.03 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 1g47 s LYS 57 CO 0.11 -0.08 0.14 0.71 0.10 0.00 0.00 175.35 176.33 1g47 s TYR 58 N 0.71 -0.12 0.37 1.78 2.02 -0.74 0.17 117.35 121.54 1g47 s TYR 58 Ca -0.02 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.04 1g47 s TYR 58 Cb -0.05 0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.55 1g47 s TYR 58 CO -0.09 -0.11 0.51 0.00 -1.57 0.00 0.00 175.55 174.29 1g47 h GLU 60 N 0.79 0.00 0.00 0.00 4.81 -1.93 -2.22 114.58 116.03 1g47 h GLU 60 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1g47 h GLU 60 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1g47 h GLU 60 CO 0.50 0.00 0.00 1.58 -0.73 0.00 0.00 179.01 180.36 1g47 n HIS 61 N -2.73 0.00 -0.33 0.92 -0.00 -1.26 0.42 115.22 112.24 1g47 n HIS 61 Ca -0.01 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.21 1g47 n HIS 61 Cb 0.55 -0.47 0.23 0.00 -0.12 0.00 0.00 29.99 30.18 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 0.93 -0.52 0.26 3.32 -1.85 0.13 116.42 118.70 1g47 h ASP 62 Ca 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1g47 h ASP 62 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1g47 h ASP 62 CO 0.00 0.58 -0.11 0.15 -1.72 0.00 0.00 179.24 178.14 1g47 h PHE 63 N 1.05 1.11 0.00 4.55 3.57 -1.47 -2.15 116.94 123.59 1g47 h PHE 63 Ca 0.42 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1g47 h PHE 63 Cb 0.26 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1g47 h PHE 63 CO -0.00 1.04 0.00 -0.56 -2.23 0.00 0.00 178.31 176.56 1g47 h GLN 64 N 0.86 0.00 -0.52 1.11 -0.00 0.91 -2.42 115.11 115.04 1g47 h GLN 64 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.66 1g47 h GLN 64 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.13 1g47 h GLN 64 CO 0.05 0.00 -0.15 1.98 -0.00 0.00 0.00 178.83 180.71 1g47 h MET 65 N 0.00 1.02 0.00 0.06 4.05 -0.12 -1.73 114.93 118.21 1g47 h MET 65 Ca 0.00 -0.40 -0.11 0.00 -0.28 0.00 0.00 59.70 58.91 1g47 h MET 65 Cb 0.63 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1g47 h MET 65 CO 0.00 1.08 -0.52 -0.07 0.23 0.00 0.00 176.91 177.63 1g47 h LEU 66 N 0.89 0.00 -2.42 3.39 3.38 -1.20 -3.48 115.31 115.88 1g47 h LEU 66 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1g47 h LEU 66 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1g47 h LEU 66 CO 0.06 0.52 -0.14 0.33 0.09 0.00 0.00 178.44 179.29 1g47 n PHE 67 N -3.62 -3.04 -2.10 1.13 7.35 -0.65 -4.88 117.46 111.65 1g47 n PHE 67 Ca -0.00 1.17 -0.42 0.00 -0.76 0.00 0.00 57.45 57.44 1g47 n PHE 67 Cb 0.59 -4.04 -0.03 0.00 0.35 0.00 0.00 39.48 36.35 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1g47 s ALA 68 N -2.92 3.62 -1.01 3.13 0.00 -1.26 -4.84 121.76 118.48 1g47 s ALA 68 Ca 0.05 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1g47 s ALA 68 Cb -0.01 -3.67 0.15 0.00 0.00 0.00 0.00 23.12 19.59 1g47 s ALA 68 CO 0.76 -1.14 1.11 -0.35 0.00 0.00 0.00 175.76 176.14 1g47 n PRO 69 N 6.12 0.00 0.00 0.00 -0.04 -1.26 -5.14 135.00 134.68 1g47 n PRO 69 Ca 0.15 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1g47 n PRO 69 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1g47 n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46