#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g47 h ALA 2 N 0.00 1.02 0.00 3.17 0.00 -2.11 -3.46 119.26 117.89 1g47 h ALA 2 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g47 h ALA 2 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1g47 h ALA 2 CO 0.00 0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.98 1g47 n ASN 3 N -3.97 0.00 -3.67 0.00 3.02 -1.26 -4.54 115.26 104.84 1g47 n ASN 3 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.41 1g47 n ASN 3 Cb 0.53 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.57 1g47 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g47 s ALA 4 N 0.00 -0.73 -0.29 5.41 0.00 -1.26 -5.14 121.76 119.75 1g47 s ALA 4 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1g47 s ALA 4 Cb 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 23.12 22.17 1g47 s ALA 4 CO 0.00 -0.61 0.73 -1.17 0.00 0.00 0.00 175.76 174.71 1g47 s LEU 5 N 2.31 -0.93 0.00 0.00 2.96 -1.26 -5.04 118.68 116.72 1g47 s LEU 5 Ca -0.01 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 1g47 s LEU 5 Cb -0.12 2.25 0.00 0.00 0.50 0.00 0.00 46.19 48.82 1g47 s LEU 5 CO -0.10 -0.21 0.00 0.00 -1.32 0.00 0.00 176.35 174.72 1g47 n ALA 6 N 4.60 0.00 -2.40 5.97 0.00 -1.26 -4.84 120.51 122.58 1g47 n ALA 6 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1g47 n ALA 6 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 2.39 -0.55 -1.52 0.00 7.64 -1.26 -4.58 113.62 115.74 1g47 n SER 7 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1g47 n SER 7 Cb 0.00 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 58.67 1g47 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g47 n ALA 8 N 1.41 -2.44 -2.35 -0.43 0.00 -1.26 -4.41 120.51 111.03 1g47 n ALA 8 Ca -0.36 0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1g47 n ALA 8 Cb 0.55 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1g47 n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g47 s THR 9 N -0.31 1.64 0.76 0.00 -4.23 -1.26 -2.21 115.64 110.03 1g47 s THR 9 Ca 0.00 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 1g47 s THR 9 Cb 0.00 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1g47 s THR 9 CO 0.00 -0.59 1.21 0.00 -0.54 0.00 0.00 174.62 174.70 1g47 h GLU 11 N -0.50 0.71 0.02 0.00 4.57 -1.58 -0.91 114.58 116.87 1g47 h GLU 11 Ca -0.48 -0.72 -0.37 0.00 -1.18 0.00 0.00 59.36 56.62 1g47 h GLU 11 Cb 1.31 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 30.03 1g47 h GLU 11 CO 0.48 1.30 -2.32 2.89 -1.18 0.00 0.00 179.01 180.18 1g47 n ARG 12 N -3.90 0.68 -0.01 1.92 0.00 -1.26 -4.50 116.66 109.59 1g47 n ARG 12 Ca -0.10 0.13 0.11 0.00 -0.00 0.00 0.00 57.85 57.98 1g47 n ARG 12 Cb 0.84 -1.57 -0.15 0.00 -0.00 0.00 0.00 32.46 31.58 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 -2.03 -6.52 -3.22 0.00 4.01 -0.35 -4.81 118.16 105.25 1g47 n LYS 14 Ca -0.02 0.71 -0.40 0.00 -0.51 0.00 0.00 58.31 58.10 1g47 n LYS 14 Cb 0.50 -5.64 -0.07 0.00 -0.51 0.00 0.00 35.03 29.30 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 -3.53 1.86 -0.49 0.72 0.00 -1.26 -4.38 107.32 100.24 1g47 s GLY 15 Ca 0.50 -0.57 -0.27 0.00 0.00 0.00 0.00 44.72 44.38 1g47 s GLY 15 CO 0.78 1.24 2.41 0.61 0.00 0.00 0.00 173.10 178.14 1g47 n GLY 16 N 4.32 0.25 0.76 0.20 0.00 -1.26 -2.08 105.19 107.37 1g47 n GLY 16 Ca -0.04 0.73 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 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 14.60 -0.89 0.03 1.61 1.16 -0.94 -4.99 117.46 128.04 1g47 n PHE 17 Ca 0.39 -0.48 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1g47 n PHE 17 Cb 0.47 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 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 -1.71 1.98 0.00 -1.26 -4.72 120.51 112.06 1g47 n ALA 18 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1g47 n ALA 18 Cb 0.13 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.68 1.33 0.23 0.00 -0.02 -1.26 -4.43 135.00 128.17 1g47 n PRO 19 Ca 0.00 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1g47 n PRO 19 Cb 0.00 -2.47 0.74 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.94 1.09 0.24 3.55 0.00 -2.01 1.14 119.26 124.20 1g47 h ALA 20 Ca -0.50 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 1g47 h ALA 20 Cb 1.33 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.16 1g47 h ALA 20 CO 0.54 -0.09 -1.46 1.49 0.00 0.00 0.00 179.25 179.73 1g47 h GLU 21 N 0.00 0.56 0.08 0.00 4.57 -2.02 -3.36 114.58 114.41 1g47 h GLU 21 Ca 0.00 -0.93 -0.35 0.00 -1.18 0.00 0.00 59.36 56.90 1g47 h GLU 21 Cb 0.22 0.34 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1g47 h GLU 21 CO 0.00 1.44 -1.97 1.63 -1.18 0.00 0.00 179.01 178.93 1g47 n LYS 22 N -3.73 0.72 -2.93 1.92 4.76 -0.12 -4.49 118.16 114.29 1g47 n LYS 22 Ca -0.17 0.26 -0.41 0.00 -2.87 0.00 0.00 58.31 55.11 1g47 n LYS 22 Cb 1.10 -1.71 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 1g47 n LYS 22 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1g47 s ILE 23 N -2.56 4.88 -0.48 -0.18 -1.09 0.37 -4.32 121.20 117.81 1g47 s ILE 23 Ca -0.18 1.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.82 1g47 s ILE 23 Cb 0.07 -4.09 0.24 0.00 -1.58 0.00 0.00 42.46 37.10 1g47 s ILE 23 CO 0.77 -0.02 0.59 0.52 -1.23 0.00 0.00 174.94 175.57 1g47 n VAL 24 N 5.06 0.36 -2.72 2.92 0.31 -0.52 -4.46 118.33 119.29 1g47 n VAL 24 Ca 0.04 -4.41 -0.41 0.00 -0.01 0.00 0.00 64.34 59.54 1g47 n VAL 24 Cb 0.48 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 1g47 n VAL 24 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1g47 s ASN 25 N -1.57 7.46 0.12 4.52 2.47 -1.26 -2.67 114.94 124.00 1g47 s ASN 25 Ca 0.36 1.77 -0.25 0.00 0.42 0.00 0.00 52.86 55.17 1g47 s ASN 25 Cb 0.15 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.44 1g47 s ASN 25 CO -0.08 -0.12 0.66 -0.55 -3.72 0.00 0.00 177.10 173.29 1g47 s SER 26 N 0.23 -0.54 0.00 -4.21 0.15 -0.99 -4.99 113.70 103.35 1g47 s SER 26 Ca 0.48 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1g47 s SER 26 Cb -0.23 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1g47 s SER 26 CO 0.30 -0.88 0.00 0.59 1.20 0.00 0.00 173.24 174.44 1g47 n ASN 27 N -0.27 0.00 -1.15 5.45 4.13 -1.26 -2.29 115.26 119.87 1g47 n ASN 27 Ca -0.16 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.09 1g47 n ASN 27 Cb 0.64 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.88 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 -0.29 3.75 7.41 0.00 -1.26 -4.55 105.19 110.25 1g47 n GLY 28 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 2.18 -0.13 1.61 2.02 -0.97 -3.81 118.70 119.61 1g47 s GLU 29 Ca 0.01 -1.50 0.01 0.00 0.02 0.00 0.00 54.97 53.52 1g47 s GLU 29 Cb 0.05 0.59 -0.00 0.00 0.10 0.00 0.00 34.13 34.87 1g47 s GLU 29 CO -0.01 -1.00 -0.18 -0.51 0.02 0.00 0.00 175.26 173.58 1g47 s LEU 30 N -3.10 2.40 0.08 1.80 1.02 -1.26 -2.36 118.68 117.25 1g47 s LEU 30 Ca 0.18 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.87 1g47 s LEU 30 Cb -0.04 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 1g47 s LEU 30 CO 0.13 0.13 -0.05 -0.31 0.02 0.00 0.00 176.35 176.27 1g47 s TYR 31 N 0.53 0.75 0.25 0.29 1.51 -1.09 -1.30 117.35 118.28 1g47 s TYR 31 Ca -0.11 -0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 54.99 1g47 s TYR 31 Cb -0.16 -0.47 0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1g47 s TYR 31 CO 0.04 -0.23 0.34 0.72 -1.11 0.00 0.00 175.55 175.31 1g47 n HIS 32 N 0.05 -3.25 0.60 2.71 8.25 -1.26 -1.44 115.22 120.88 1g47 n HIS 32 Ca -0.13 -0.58 0.13 0.00 -0.26 0.00 0.00 57.72 56.87 1g47 n HIS 32 Cb 0.61 -0.25 0.44 0.00 1.12 0.00 0.00 29.99 31.91 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 -1.62 0.22 -2.68 -0.41 1.02 -1.26 -3.70 120.64 112.20 1g47 n GLU 33 Ca 0.06 0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1g47 n GLU 33 Cb 0.20 -1.79 0.03 0.00 -0.02 0.00 0.00 31.44 29.86 1g47 n GLU 33 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1g47 n GLN 34 N -2.17 1.53 0.00 3.49 3.00 -1.26 -0.16 117.38 121.81 1g47 n GLN 34 Ca 0.05 -3.43 0.00 0.00 -0.01 0.00 0.00 57.00 53.60 1g47 n GLN 34 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.16 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 -0.57 0.57 -3.11 0.00 3.01 -1.25 -4.53 117.46 111.57 1g47 n PHE 36 Ca 0.00 0.23 -0.18 0.00 1.01 0.00 0.00 57.45 58.50 1g47 n PHE 36 Cb 0.00 -1.96 0.02 0.00 -0.01 0.00 0.00 39.48 37.53 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 7.55 2.71 -0.20 -4.37 -7.23 -1.26 0.75 120.40 118.34 1g47 s VAL 37 Ca 1.27 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 60.25 1g47 s VAL 37 Cb -0.95 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1g47 s VAL 37 CO 0.46 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.53 1g47 n ALA 39 N 4.13 1.05 0.01 0.00 0.00 0.48 0.49 120.51 126.68 1g47 n ALA 39 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1g47 n ALA 39 Cb 0.52 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.17 0.01 0.00 0.00 6.02 -1.26 -4.75 117.38 116.23 1g47 n GLN 40 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1g47 n GLN 40 Cb 0.04 -0.17 0.55 0.00 1.02 0.00 0.00 30.24 31.67 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 -1.48 -0.05 -2.28 0.00 3.72 0.18 -4.83 117.46 112.72 1g47 n PHE 42 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1g47 n PHE 42 Cb 0.28 -2.63 -0.03 0.00 -0.94 0.00 0.00 39.48 36.17 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 -2.79 4.29 1.20 -1.08 0.74 -1.26 -4.24 119.66 116.51 1g47 s GLN 43 Ca 0.00 1.89 -0.19 0.00 0.05 0.00 0.00 55.36 57.10 1g47 s GLN 43 Cb 0.00 -3.60 0.29 0.00 1.10 0.00 0.00 33.01 30.79 1g47 s GLN 43 CO 0.00 -0.57 1.12 1.14 -0.55 0.00 0.00 175.29 176.44 1g47 s GLN 44 N 2.51 -1.18 -0.21 1.67 -2.07 -1.26 -1.72 119.66 117.40 1g47 s GLN 44 Ca 0.62 -0.12 -0.08 0.00 -1.82 0.00 0.00 55.36 53.97 1g47 s GLN 44 Cb -0.29 -1.61 0.09 0.00 -1.09 0.00 0.00 33.01 30.11 1g47 s GLN 44 CO 0.25 -3.67 0.44 0.12 -1.32 0.00 0.00 175.29 171.10 1g47 s PHE 45 N -3.07 -0.83 0.85 9.60 2.19 0.23 -4.80 117.98 122.15 1g47 s PHE 45 Ca 0.71 1.58 -0.14 0.00 0.33 0.00 0.00 56.93 59.41 1g47 s PHE 45 Cb -0.09 0.35 0.22 0.00 -1.31 0.00 0.00 43.02 42.19 1g47 s PHE 45 CO 0.56 -0.48 0.56 -0.35 1.83 0.00 0.00 175.22 177.33 1g47 n PRO 46 N 5.26 -3.38 0.00 10.12 -0.04 -1.26 -3.54 135.00 142.16 1g47 n PRO 46 Ca -0.11 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1g47 n PRO 46 Cb 0.50 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1g47 n PRO 46 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g47 n GLU 47 N -4.10 0.00 -1.90 0.54 -0.58 -1.03 -3.91 120.64 109.67 1g47 n GLU 47 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1g47 n GLU 47 Cb 0.36 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1g47 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g47 n GLY 48 N 0.00 0.62 3.27 0.62 0.00 0.77 -4.86 105.19 105.61 1g47 n GLY 48 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.46 -0.36 0.00 0.99 0.20 -1.25 -4.95 118.68 111.84 1g47 s LEU 49 Ca 0.00 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.25 1g47 s LEU 49 Cb 0.00 1.38 0.00 0.00 -0.43 0.00 0.00 46.19 47.14 1g47 s LEU 49 CO 0.00 -0.07 0.00 2.22 -0.29 0.00 0.00 176.35 178.21 1g47 n PHE 50 N 4.93 0.00 -1.96 5.38 1.16 -1.26 -5.01 117.46 120.70 1g47 n PHE 50 Ca -0.08 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.14 1g47 n PHE 50 Cb 0.54 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.40 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 2.38 -1.11 2.97 4.01 -0.07 -4.99 117.16 120.35 1g47 n TYR 51 Ca 0.00 -2.44 -0.32 0.00 -0.16 0.00 0.00 57.90 54.98 1g47 n TYR 51 Cb 0.00 -1.50 0.12 0.00 -0.31 0.00 0.00 39.34 37.65 1g47 n TYR 51 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1g47 s GLU 52 N -2.31 1.76 0.13 -0.72 2.12 -1.24 -0.86 118.70 117.59 1g47 s GLU 52 Ca 0.52 1.48 -0.03 0.00 0.36 0.00 0.00 54.97 57.30 1g47 s GLU 52 Cb 0.28 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.82 1g47 s GLU 52 CO -0.18 -2.07 0.11 -0.06 -0.54 0.00 0.00 175.26 172.53 1g47 s PHE 53 N -2.54 0.70 -0.00 5.30 0.40 -0.92 -4.72 117.98 116.20 1g47 s PHE 53 Ca 0.67 -1.08 -0.30 0.00 -0.60 0.00 0.00 56.93 55.61 1g47 s PHE 53 Cb -0.22 -0.35 -0.06 0.00 0.51 0.00 0.00 43.02 42.90 1g47 s PHE 53 CO 0.53 -0.56 1.42 -2.00 0.70 0.00 0.00 175.22 175.31 1g47 s GLU 54 N -4.02 4.27 0.00 0.44 2.12 -1.26 -2.27 118.70 117.98 1g47 s GLU 54 Ca 0.21 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.53 1g47 s GLU 54 Cb 0.06 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1g47 s GLU 54 CO 0.00 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1g47 n GLY 55 N 3.68 1.05 0.00 -1.50 0.00 -1.25 -4.86 105.19 102.32 1g47 n GLY 55 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -3.61 1.61 1.74 -0.96 -5.02 116.66 108.42 1g47 n ARG 56 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1g47 n ARG 56 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 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 -0.50 0.29 -0.09 5.56 0.00 -1.26 -2.15 119.74 121.59 1g47 s LYS 57 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 55.97 55.97 1g47 s LYS 57 Cb 0.00 0.14 0.03 0.00 0.00 0.00 0.00 37.83 38.00 1g47 s LYS 57 CO 0.00 -0.09 0.24 0.71 0.00 0.00 0.00 175.35 176.21 1g47 s TYR 58 N -1.04 -0.28 0.83 1.78 2.02 -0.04 -0.38 117.35 120.24 1g47 s TYR 58 Ca 0.04 0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 57.32 1g47 s TYR 58 Cb -0.01 0.07 0.14 0.00 -0.40 0.00 0.00 41.96 41.76 1g47 s TYR 58 CO -0.04 -0.16 1.17 0.00 -1.57 0.00 0.00 175.55 174.95 1g47 h GLU 60 N -1.10 0.00 0.13 0.00 4.57 -1.94 -2.78 114.58 113.46 1g47 h GLU 60 Ca -0.43 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1g47 h GLU 60 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1g47 h GLU 60 CO 0.48 0.00 -0.06 1.25 -1.18 0.00 0.00 179.01 179.49 1g47 h HIS 61 N 0.00 -0.17 -0.60 0.92 -0.00 -1.98 0.46 115.15 113.78 1g47 h HIS 61 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.47 1g47 h HIS 61 Cb 0.24 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.64 1g47 h HIS 61 CO 0.00 -0.10 0.20 0.22 -0.00 0.00 0.00 177.93 178.24 1g47 h ASP 62 N -0.21 0.16 0.33 3.26 3.58 -1.88 -1.22 116.42 120.44 1g47 h ASP 62 Ca -0.02 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 1g47 h ASP 62 Cb 0.14 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1g47 h ASP 62 CO 0.03 0.10 -0.39 0.15 -2.88 0.00 0.00 179.24 176.25 1g47 h PHE 63 N 0.36 0.09 0.00 0.28 3.04 -1.52 -2.30 116.94 116.89 1g47 h PHE 63 Ca 0.31 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 1g47 h PHE 63 Cb 0.40 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1g47 h PHE 63 CO -0.19 0.46 -0.17 -0.56 -2.02 0.00 0.00 178.31 175.83 1g47 h GLN 64 N 0.07 0.00 -0.14 1.11 -0.00 0.11 -1.13 115.11 115.13 1g47 h GLN 64 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.48 1g47 h GLN 64 Cb 0.72 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1g47 h GLN 64 CO 0.05 0.17 -0.64 0.52 -0.00 0.00 0.00 178.83 178.93 1g47 h MET 65 N 0.00 0.52 0.00 0.06 2.86 -0.89 -2.17 114.93 115.31 1g47 h MET 65 Ca -0.00 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1g47 h MET 65 Cb 0.67 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1g47 h MET 65 CO 0.02 0.99 -0.12 -0.07 1.06 0.00 0.00 176.91 178.79 1g47 h LEU 66 N 0.38 0.00 0.00 1.22 3.38 -1.17 -3.46 115.31 115.66 1g47 h LEU 66 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1g47 h LEU 66 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1g47 h LEU 66 CO 0.12 0.12 0.00 0.49 0.09 0.00 0.00 178.44 179.26 1g47 n PHE 67 N -3.21 0.00 -3.25 1.13 3.72 -0.49 -3.81 117.46 111.55 1g47 n PHE 67 Ca 0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.23 1g47 n PHE 67 Cb 0.43 -1.46 0.01 0.00 -0.94 0.00 0.00 39.48 37.52 1g47 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g47 n ALA 68 N 1.00 -2.67 -1.79 4.37 0.00 -1.25 -4.87 120.51 115.31 1g47 n ALA 68 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1g47 n ALA 68 Cb 0.25 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.34 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 -3.05 4.20 0.00 0.00 0.05 -1.25 -5.21 135.00 129.74 1g47 s PRO 69 Ca 0.20 2.44 0.26 0.00 0.05 0.00 0.00 61.00 63.94 1g47 s PRO 69 Cb -0.04 -3.02 1.54 0.00 0.05 0.00 0.00 34.50 33.03 1g47 s PRO 69 CO 0.82 -0.43 1.89 0.00 0.05 0.00 0.00 177.00 179.33