#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg7 s TYR 23 N 0.00 2.57 -0.04 6.00 2.02 -1.26 -4.79 117.35 121.85 1sg7 s TYR 23 Ca 0.00 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1sg7 s TYR 23 Cb 0.00 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1sg7 s TYR 23 CO 0.00 0.09 -0.04 1.63 -1.57 0.00 0.00 175.55 175.65 1sg7 n LYS 24 N 2.41 0.10 0.01 -0.62 4.76 -1.26 -4.98 118.16 118.57 1sg7 n LYS 24 Ca -0.17 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1sg7 n LYS 24 Cb 0.52 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 1sg7 n LYS 24 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sg7 n THR 25 N -2.80 0.07 0.00 -0.18 -2.24 -1.26 -5.08 114.28 102.79 1sg7 n THR 25 Ca -0.08 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1sg7 n THR 25 Cb 0.57 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1sg7 n THR 25 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sg7 n LYS 26 N -2.90 0.00 0.34 -0.78 4.81 -1.26 -4.85 118.16 113.52 1sg7 n LYS 26 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.64 1sg7 n LYS 26 Cb 0.32 0.00 1.09 0.00 0.02 0.00 0.00 35.03 36.46 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1sg7 h SER 27 N 0.00 0.00 0.50 3.14 4.64 -1.98 0.17 113.55 120.02 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sg7 h SER 27 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1sg7 n ASP 28 N -3.05 0.44 -4.49 4.97 8.00 -1.26 -4.78 116.55 116.39 1sg7 n ASP 28 Ca -0.03 0.63 -0.29 0.00 0.71 0.00 0.00 54.79 55.81 1sg7 n ASP 28 Cb 0.17 -0.71 0.24 0.00 -0.02 0.00 0.00 41.12 40.79 1sg7 n ASP 28 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sg7 n LEU 29 N -2.01 -0.68 -4.75 0.64 4.77 0.58 -4.79 117.00 110.77 1sg7 n LEU 29 Ca 0.02 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1sg7 n LEU 29 Cb 0.17 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1sg7 n LEU 29 CO 0.15 -3.10 1.00 -2.84 -1.33 0.00 0.00 177.39 171.27 1sg7 s PRO 30 N -4.36 4.37 0.26 3.23 0.02 -1.26 -4.77 135.00 132.48 1sg7 s PRO 30 Ca 0.67 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.80 1sg7 s PRO 30 Cb -0.24 -3.15 0.53 0.00 0.02 0.00 0.00 34.50 31.66 1sg7 s PRO 30 CO 0.64 -0.25 1.70 1.05 -0.33 0.00 0.00 177.00 179.81 1sg7 h GLU 31 N 4.79 0.36 0.00 5.54 9.09 -1.92 1.19 114.58 133.64 1sg7 h GLU 31 Ca -0.46 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1sg7 h GLU 31 Cb 1.22 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1sg7 h GLU 31 CO 0.74 0.24 0.00 0.45 0.05 0.00 0.00 179.01 180.49 1sg7 n SER 32 N -5.07 0.02 -0.11 3.06 2.88 -1.26 0.17 113.62 113.31 1sg7 n SER 32 Ca 0.16 0.51 -0.20 0.00 -1.33 0.00 0.00 58.87 58.01 1sg7 n SER 32 Cb 0.49 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 1sg7 n SER 32 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sg7 n VAL 33 N -1.52 1.51 0.18 2.46 0.31 0.37 -4.33 118.33 117.31 1sg7 n VAL 33 Ca 0.02 -0.12 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1sg7 n VAL 33 Cb 0.10 -2.10 0.44 0.00 -0.91 0.00 0.00 33.84 31.37 1sg7 n VAL 33 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sg7 h LYS 34 N -1.00 0.10 -0.79 5.55 1.57 -0.31 0.82 116.57 122.52 1sg7 h LYS 34 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1sg7 h LYS 34 Cb 1.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1sg7 h LYS 34 CO -0.23 0.28 0.00 0.72 -0.57 0.00 0.00 179.45 179.65 1sg7 n HIS 35 N -4.29 0.19 0.00 -1.35 8.25 0.13 -3.73 115.22 114.42 1sg7 n HIS 35 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1sg7 n HIS 35 Cb 0.27 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1sg7 n HIS 35 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1sg7 n VAL 36 N -0.00 0.00 -3.16 1.59 0.24 -0.83 -4.93 118.33 111.23 1sg7 n VAL 36 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 1sg7 n VAL 36 Cb 0.29 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 1sg7 n VAL 36 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sg7 s LEU 37 N -1.65 4.29 0.00 1.34 1.02 0.28 -1.10 118.68 122.86 1sg7 s LEU 37 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 54.13 55.17 1sg7 s LEU 37 Cb 0.00 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1sg7 s LEU 37 CO 0.00 -0.07 0.00 -2.65 0.02 0.00 0.00 176.35 173.65 1sg7 n PRO 38 N 3.79 -1.86 0.00 1.29 -0.02 -1.26 -4.70 135.00 132.24 1sg7 n PRO 38 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1sg7 n PRO 38 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1sg7 n PRO 38 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sg7 n SER 39 N -2.89 0.00 0.21 2.55 2.88 -1.26 -3.16 113.62 111.94 1sg7 n SER 39 Ca 0.00 0.54 0.11 0.00 -1.33 0.00 0.00 58.87 58.20 1sg7 n SER 39 Cb 0.00 -0.04 0.61 0.00 -0.75 0.00 0.00 64.21 64.02 1sg7 n SER 39 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1sg7 h HIS 40 N 0.00 0.00 -0.29 0.66 -0.00 -2.01 -1.62 115.15 111.89 1sg7 h HIS 40 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 1sg7 h HIS 40 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1sg7 h HIS 40 CO 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 177.93 177.51 1sg7 h ALA 41 N 1.57 0.67 -0.55 5.26 0.00 -1.89 -1.20 119.26 123.12 1sg7 h ALA 41 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1sg7 h ALA 41 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sg7 h ALA 41 CO 0.00 0.67 -0.00 1.96 0.00 0.00 0.00 179.25 181.88 1sg7 h GLN 42 N 0.60 0.97 -0.54 0.00 4.20 -1.24 0.76 115.11 119.86 1sg7 h GLN 42 Ca 0.04 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1sg7 h GLN 42 Cb 1.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1sg7 h GLN 42 CO 0.10 0.98 0.36 0.22 -0.67 0.00 0.00 178.83 179.81 1sg7 h ASP 43 N 0.85 0.62 0.35 1.46 1.82 -1.57 0.49 116.42 120.43 1sg7 h ASP 43 Ca 0.15 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1sg7 h ASP 43 Cb 0.54 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1sg7 h ASP 43 CO 0.03 0.45 -0.26 0.40 -1.61 0.00 0.00 179.24 178.25 1sg7 h ILE 44 N 0.73 0.45 0.03 2.25 2.04 -0.66 0.29 117.51 122.64 1sg7 h ILE 44 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1sg7 h ILE 44 Cb -0.08 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1sg7 h ILE 44 CO -0.04 0.00 -0.08 0.22 0.00 0.00 0.00 178.15 178.25 1sg7 h TYR 45 N -0.61 -0.24 -0.31 1.37 5.03 0.11 0.33 116.97 122.65 1sg7 h TYR 45 Ca -0.03 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.36 1sg7 h TYR 45 Cb 0.52 0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.82 1sg7 h TYR 45 CO -0.13 -0.10 -0.27 -0.22 -1.32 0.00 0.00 178.16 176.12 1sg7 h LYS 46 N -0.13 -0.23 -0.80 1.82 3.64 -0.04 0.73 116.57 121.56 1sg7 h LYS 46 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1sg7 h LYS 46 Cb 0.12 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1sg7 h LYS 46 CO -0.04 -0.16 0.52 0.93 -2.27 0.00 0.00 179.45 178.44 1sg7 h GLU 47 N -0.24 0.86 -0.16 1.90 5.08 -0.34 0.35 114.58 122.02 1sg7 h GLU 47 Ca 0.16 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1sg7 h GLU 47 Cb 0.49 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1sg7 h GLU 47 CO -0.45 0.57 -0.70 0.00 -1.00 0.00 0.00 179.01 177.43 1sg7 h ALA 48 N 1.56 0.30 0.18 3.43 0.00 0.10 -2.63 119.26 122.20 1sg7 h ALA 48 Ca 0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1sg7 h ALA 48 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sg7 h ALA 48 CO -0.12 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.02 1sg7 h PHE 49 N 0.47 -0.22 -0.73 0.00 3.04 0.15 -2.31 116.94 117.34 1sg7 h PHE 49 Ca -0.04 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.03 1sg7 h PHE 49 Cb 1.33 0.07 -0.09 0.00 2.56 0.00 0.00 35.95 39.82 1sg7 h PHE 49 CO 0.09 -0.12 0.31 -0.91 -2.02 0.00 0.00 178.31 175.65 1sg7 h ASN 50 N -0.26 0.32 -0.36 0.41 -0.26 -0.39 0.50 115.58 115.55 1sg7 h ASN 50 Ca -0.02 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1sg7 h ASN 50 Cb 0.20 0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.47 1sg7 h ASN 50 CO 0.04 0.14 0.08 -1.28 -1.06 0.00 0.00 177.43 175.35 1sg7 h SER 51 N 0.48 0.03 0.44 5.81 0.87 -1.15 0.57 113.55 120.60 1sg7 h SER 51 Ca 0.39 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1sg7 h SER 51 Cb 0.54 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1sg7 h SER 51 CO -0.36 0.05 -0.46 0.00 -0.53 0.00 0.00 176.83 175.53 1sg7 h ALA 52 N 1.26 1.20 0.15 6.23 0.00 -0.66 0.44 119.26 127.89 1sg7 h ALA 52 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sg7 h ALA 52 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sg7 h ALA 52 CO -0.21 0.59 -0.07 2.35 0.00 0.00 0.00 179.25 181.90 1sg7 h TRP 53 N 0.03 -0.19 0.00 0.00 7.01 0.15 -1.18 115.95 121.77 1sg7 h TRP 53 Ca -0.00 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 1sg7 h TRP 53 Cb 0.83 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1sg7 h TRP 53 CO 0.00 0.14 -0.47 0.22 -2.79 0.00 0.00 178.44 175.54 1sg7 h ASP 54 N -0.54 0.00 0.57 2.65 3.58 0.18 -2.58 116.42 120.29 1sg7 h ASP 54 Ca -0.02 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1sg7 h ASP 54 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1sg7 h ASP 54 CO 0.03 0.47 -0.26 1.56 -2.88 0.00 0.00 179.24 178.17 1sg7 h GLN 55 N 0.00 0.00 -2.82 0.28 4.20 0.02 -3.29 115.11 113.50 1sg7 h GLN 55 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1sg7 h GLN 55 Cb 0.89 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1sg7 h GLN 55 CO 0.06 0.26 1.04 0.98 -0.67 0.00 0.00 178.83 180.50 1sg7 n TYR 56 N -3.68 0.55 1.80 2.96 9.36 -0.46 -4.36 117.16 123.33 1sg7 n TYR 56 Ca -0.01 -1.31 0.15 0.00 3.32 0.00 0.00 57.90 60.05 1sg7 n TYR 56 Cb 0.37 -1.33 0.86 0.00 -0.63 0.00 0.00 39.34 38.61 1sg7 n TYR 56 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1sg7 n LYS 57 N 3.30 0.89 0.07 2.98 4.76 -1.24 -3.05 118.16 125.85 1sg7 n LYS 57 Ca 0.33 -0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.67 1sg7 n LYS 57 Cb 0.37 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 1sg7 n LYS 57 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1sg7 h ASP 58 N 0.18 -0.17 -0.96 4.39 3.58 -1.93 -3.44 116.42 118.06 1sg7 h ASP 58 Ca 0.00 0.01 -0.38 0.00 0.42 0.00 0.00 57.03 57.08 1sg7 h ASP 58 Cb 0.12 0.04 -0.26 0.00 1.72 0.00 0.00 39.33 40.95 1sg7 h ASP 58 CO 0.00 -0.01 -0.79 0.29 -2.88 0.00 0.00 179.24 175.85 1sg7 n LYS 59 N -3.15 0.81 -0.00 0.28 5.02 -1.26 -4.96 118.16 114.89 1sg7 n LYS 59 Ca -0.02 -2.49 -0.20 0.00 -2.02 0.00 0.00 58.31 53.58 1sg7 n LYS 59 Cb 0.08 -1.35 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 1sg7 n LYS 59 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sg7 n GLU 60 N 1.25 0.75 -1.93 1.97 0.28 -1.17 -4.31 120.64 117.47 1sg7 n GLU 60 Ca 0.15 0.26 -0.34 0.00 -0.16 0.00 0.00 57.16 57.07 1sg7 n GLU 60 Cb 0.61 -1.71 0.04 0.00 1.43 0.00 0.00 31.44 31.80 1sg7 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sg7 n ASP 61 N -3.43 6.64 0.00 -1.84 2.03 -1.26 -3.93 116.55 114.75 1sg7 n ASP 61 Ca -0.31 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.21 1sg7 n ASP 61 Cb 1.05 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1sg7 n ASP 61 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1sg7 n ARG 62 N -0.63 0.00 -0.06 -0.67 1.85 -1.26 -5.01 116.66 110.88 1sg7 n ARG 62 Ca 0.51 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 57.30 1sg7 n ARG 62 Cb 0.50 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.76 1sg7 n ARG 62 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1sg7 n ARG 63 N 0.00 0.67 -2.21 2.89 1.85 -1.26 -4.45 116.66 114.15 1sg7 n ARG 63 Ca 0.00 0.05 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 1sg7 n ARG 63 Cb 0.00 -1.60 0.02 0.00 -1.05 0.00 0.00 32.46 29.83 1sg7 n ARG 63 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1sg7 n ASP 64 N -2.76 6.26 0.20 2.89 -0.08 -1.26 -4.76 116.55 117.05 1sg7 n ASP 64 Ca -0.25 -3.78 0.11 0.00 -1.51 0.00 0.00 54.79 49.37 1sg7 n ASP 64 Cb 1.04 -0.80 0.67 0.00 2.34 0.00 0.00 41.12 44.37 1sg7 n ASP 64 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1sg7 h ASP 65 N 2.87 0.00 -0.94 1.67 5.19 -1.78 -1.18 116.42 122.25 1sg7 h ASP 65 Ca 0.44 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.94 1sg7 h ASP 65 Cb 0.42 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 1sg7 h ASP 65 CO 1.17 0.00 0.58 0.00 -3.12 0.00 0.00 179.24 177.87 1sg7 h ALA 66 N 1.93 1.34 -0.72 3.45 0.00 -1.85 -0.43 119.26 122.98 1sg7 h ALA 66 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1sg7 h ALA 66 Cb 0.24 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1sg7 h ALA 66 CO -0.00 0.27 0.33 1.03 0.00 0.00 0.00 179.25 180.88 1sg7 h SER 67 N 1.00 0.40 0.41 0.00 0.87 -1.59 0.93 113.55 115.57 1sg7 h SER 67 Ca 0.43 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 1sg7 h SER 67 Cb 0.31 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1sg7 h SER 67 CO -0.22 0.20 -0.35 -0.09 -0.53 0.00 0.00 176.83 175.84 1sg7 h ARG 68 N 0.54 -0.72 -0.60 2.24 1.12 -1.16 0.74 114.38 116.54 1sg7 h ARG 68 Ca 0.37 0.05 0.12 0.00 -1.11 0.00 0.00 59.98 59.42 1sg7 h ARG 68 Cb 0.46 0.16 -0.11 0.00 -0.01 0.00 0.00 29.97 30.48 1sg7 h ARG 68 CO -0.32 -0.48 -0.08 1.49 -3.11 0.00 0.00 179.97 177.48 1sg7 h GLU 69 N -0.75 0.05 0.24 0.20 4.81 -0.84 0.21 114.58 118.50 1sg7 h GLU 69 Ca -0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sg7 h GLU 69 Cb 0.63 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1sg7 h GLU 69 CO -0.01 0.03 -0.48 1.49 -0.73 0.00 0.00 179.01 179.31 1sg7 h GLU 70 N 0.05 -0.75 -0.59 1.92 4.57 0.13 0.49 114.58 120.40 1sg7 h GLU 70 Ca 0.30 0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.65 1sg7 h GLU 70 Cb 0.48 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.14 1sg7 h GLU 70 CO -0.57 -0.50 0.02 1.15 -1.18 0.00 0.00 179.01 177.93 1sg7 h THR 71 N -0.78 0.54 -0.54 0.32 2.02 0.15 0.15 112.91 114.77 1sg7 h THR 71 Ca -0.02 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.22 1sg7 h THR 71 Cb 0.74 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 1sg7 h THR 71 CO -0.20 0.03 0.02 0.00 0.37 0.00 0.00 175.52 175.74 1sg7 h ALA 72 N 1.52 0.54 -0.42 6.16 0.00 0.05 0.61 119.26 127.72 1sg7 h ALA 72 Ca 0.31 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1sg7 h ALA 72 Cb 0.48 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1sg7 h ALA 72 CO -0.48 -0.38 0.05 0.45 0.00 0.00 0.00 179.25 178.89 1sg7 h HIS 73 N 0.14 0.07 -0.92 0.00 -0.00 0.14 0.49 115.15 115.08 1sg7 h HIS 73 Ca 0.28 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.74 1sg7 h HIS 73 Cb 0.43 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 1sg7 h HIS 73 CO -0.32 -0.03 0.58 0.87 -0.00 0.00 0.00 177.93 179.03 1sg7 h LYS 74 N 0.17 1.02 0.37 2.45 1.57 0.15 -1.15 116.57 121.13 1sg7 h LYS 74 Ca 0.21 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1sg7 h LYS 74 Cb 0.28 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1sg7 h LYS 74 CO -0.30 0.67 -0.18 0.28 -0.57 0.00 0.00 179.45 179.35 1sg7 h VAL 75 N 1.05 0.43 -0.83 0.50 2.07 0.17 -2.37 116.25 117.27 1sg7 h VAL 75 Ca 0.40 -0.68 0.20 0.00 0.82 0.00 0.00 66.70 67.44 1sg7 h VAL 75 Cb 0.19 0.67 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1sg7 h VAL 75 CO -0.18 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.77 1sg7 h ALA 76 N -0.66 1.19 -0.53 1.67 0.00 0.06 0.38 119.26 121.38 1sg7 h ALA 76 Ca -0.05 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sg7 h ALA 76 Cb 0.53 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1sg7 h ALA 76 CO 0.08 -0.36 0.32 -1.49 0.00 0.00 0.00 179.25 177.80 1sg7 h TRP 77 N 0.31 0.70 -0.79 0.00 4.06 -1.24 0.20 115.95 119.17 1sg7 h TRP 77 Ca 0.50 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.61 1sg7 h TRP 77 Cb 0.91 -0.23 -0.11 0.00 -1.00 0.00 0.00 29.16 28.74 1sg7 h TRP 77 CO -0.22 0.48 0.29 0.00 -3.56 0.00 0.00 178.44 175.44 1sg7 h ALA 78 N 1.15 1.14 -0.37 1.49 0.00 0.27 1.41 119.26 124.35 1sg7 h ALA 78 Ca 0.19 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1sg7 h ALA 78 Cb -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sg7 h ALA 78 CO -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 179.25 178.91 1sg7 h ALA 79 N 1.61 0.50 -0.15 0.00 0.00 -0.63 -1.81 119.26 118.78 1sg7 h ALA 79 Ca 0.46 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sg7 h ALA 79 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sg7 h ALA 79 CO -0.47 0.29 0.09 0.28 0.00 0.00 0.00 179.25 179.44 1sg7 h VAL 80 N 0.47 1.07 0.00 0.00 2.07 0.15 -0.18 116.25 119.84 1sg7 h VAL 80 Ca 0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1sg7 h VAL 80 Cb 0.50 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1sg7 h VAL 80 CO 0.02 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.97 1sg7 n LYS 81 N -4.96 0.13 -0.04 1.57 5.02 0.45 0.29 118.16 120.62 1sg7 n LYS 81 Ca -0.04 0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 56.51 1sg7 n LYS 81 Cb 0.05 -1.81 -0.13 0.00 -0.02 0.00 0.00 35.03 33.12 1sg7 n LYS 81 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sg7 h HIS 82 N 0.00 0.21 0.00 2.13 2.76 -0.34 -3.38 115.15 116.53 1sg7 h HIS 82 Ca 0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1sg7 h HIS 82 Cb 0.22 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1sg7 h HIS 82 CO 0.00 1.41 -1.12 0.39 -1.30 0.00 0.00 177.93 177.31 1sg7 n GLU 83 N -4.23 0.22 -4.12 5.26 1.02 -0.20 -4.06 120.64 114.53 1sg7 n GLU 83 Ca -0.24 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.72 1sg7 n GLU 83 Cb 0.74 -1.54 -0.12 0.00 -0.02 0.00 0.00 31.44 30.50 1sg7 n GLU 83 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sg7 s TYR 84 N -3.16 0.76 0.07 -0.32 1.51 0.85 0.27 117.35 117.32 1sg7 s TYR 84 Ca 0.04 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1sg7 s TYR 84 Cb 0.15 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.52 1sg7 s TYR 84 CO 0.83 -0.04 -0.23 0.00 -1.11 0.00 0.00 175.55 175.01 1sg7 s ALA 85 N -1.12 1.93 -0.25 3.71 0.00 0.23 -3.50 121.76 122.76 1sg7 s ALA 85 Ca -0.06 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1sg7 s ALA 85 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1sg7 s ALA 85 CO 0.01 0.43 0.51 0.21 0.00 0.00 0.00 175.76 176.91 1sg7 s LYS 86 N -1.52 4.08 0.32 0.00 2.20 -1.26 0.11 119.74 123.67 1sg7 s LYS 86 Ca 0.09 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1sg7 s LYS 86 Cb -0.09 -3.64 0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1sg7 s LYS 86 CO 0.03 -0.33 0.21 0.41 -0.36 0.00 0.00 175.35 175.31 1sg7 n GLY 87 N 4.35 -3.42 1.12 5.54 0.00 0.24 -4.81 105.19 108.20 1sg7 n GLY 87 Ca -0.04 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 1sg7 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sg7 n ASP 88 N -3.58 3.09 0.00 1.61 5.68 -1.26 -4.38 116.55 117.71 1sg7 n ASP 88 Ca 0.03 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1sg7 n ASP 88 Cb 0.13 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1sg7 n ASP 88 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1sg7 n ASP 89 N 0.35 0.00 -0.59 -1.12 9.92 -1.26 -5.05 116.55 118.80 1sg7 n ASP 89 Ca 0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.30 1sg7 n ASP 89 Cb 0.61 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.07 1sg7 n ASP 89 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1sg7 n ASP 90 N -0.31 -0.27 -4.31 -2.24 9.92 -1.26 -5.15 116.55 112.94 1sg7 n ASP 90 Ca 0.00 -0.57 -0.17 0.00 -0.53 0.00 0.00 54.79 53.53 1sg7 n ASP 90 Cb 0.00 0.08 -0.10 0.00 -0.64 0.00 0.00 41.12 40.46 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1sg7 s LYS 91 N 0.00 1.24 0.20 -1.24 1.02 -1.26 -4.77 119.74 114.93 1sg7 s LYS 91 Ca 0.00 -1.57 0.10 0.00 0.02 0.00 0.00 55.97 54.53 1sg7 s LYS 91 Cb 0.00 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 1sg7 s LYS 91 CO 0.00 0.06 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.70 1sg7 s TRP 92 N -3.23 2.12 -0.02 3.18 0.52 -0.26 0.81 118.94 122.06 1sg7 s TRP 92 Ca 0.22 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.93 1sg7 s TRP 92 Cb 0.02 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 1sg7 s TRP 92 CO 0.05 0.49 0.04 -3.38 0.02 0.00 0.00 176.95 174.17 1sg7 s HIS 93 N -2.05 -0.05 -0.02 -1.98 -3.43 0.30 -4.34 115.29 103.72 1sg7 s HIS 93 Ca 0.21 0.12 -0.34 0.00 -0.80 0.00 0.00 55.06 54.26 1sg7 s HIS 93 Cb -0.06 0.01 -0.12 0.00 -1.43 0.00 0.00 32.58 30.98 1sg7 s HIS 93 CO 0.10 -0.03 1.83 1.17 -2.00 0.00 0.00 174.74 175.81 1sg7 n LYS 94 N 3.12 2.27 0.00 -0.38 4.81 -1.26 0.77 118.16 127.49 1sg7 n LYS 94 Ca -0.13 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1sg7 n LYS 94 Cb 0.59 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1sg7 n LYS 94 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1sg7 n LYS 95 N 6.10 0.00 0.00 1.64 4.76 0.75 -4.81 118.16 126.60 1sg7 n LYS 95 Ca 0.21 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.68 1sg7 n LYS 95 Cb 0.31 -0.37 0.19 0.00 -1.84 0.00 0.00 35.03 33.31 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46