#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 2.54 0.00 6.00 2.02 -1.26 -4.80 117.35 121.85 1sg7 s TYR 23 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1sg7 s TYR 23 Cb 0.00 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1sg7 s TYR 23 CO 0.00 0.13 0.00 1.17 -1.57 0.00 0.00 175.55 175.28 1sg7 n LYS 24 N 2.15 0.00 0.07 -0.62 3.00 -1.26 -4.99 118.16 116.50 1sg7 n LYS 24 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1sg7 n LYS 24 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.63 1sg7 n LYS 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1sg7 n THR 25 N -2.55 0.86 0.00 3.15 -2.24 -1.26 -5.08 114.28 107.16 1sg7 n THR 25 Ca 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1sg7 n THR 25 Cb 0.49 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1sg7 n THR 25 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sg7 n LYS 26 N -3.46 0.00 0.16 -0.78 5.02 -1.26 -4.79 118.16 113.05 1sg7 n LYS 26 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1sg7 n LYS 26 Cb 0.03 0.00 0.78 0.00 -0.02 0.00 0.00 35.03 35.81 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sg7 h SER 27 N 0.00 0.00 0.25 4.39 0.02 -1.98 0.14 113.55 116.37 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sg7 h SER 27 CO 0.00 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.13 1sg7 h ASP 28 N 0.00 0.00 -3.23 3.07 5.19 -1.92 -3.44 116.42 116.08 1sg7 h ASP 28 Ca 0.12 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.04 1sg7 h ASP 28 Cb 0.61 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.34 1sg7 h ASP 28 CO -0.00 0.00 -0.46 0.18 -3.12 0.00 0.00 179.24 175.84 1sg7 n LEU 29 N -2.56 -0.36 -4.75 1.55 4.77 0.48 -4.84 117.00 111.28 1sg7 n LEU 29 Ca -0.01 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1sg7 n LEU 29 Cb 0.11 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 39.98 1sg7 n LEU 29 CO 0.16 -3.14 1.03 -2.84 -1.33 0.00 0.00 177.39 171.27 1sg7 s PRO 30 N -3.92 4.33 0.23 3.23 0.02 -1.26 -4.78 135.00 132.85 1sg7 s PRO 30 Ca 0.61 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.78 1sg7 s PRO 30 Cb -0.20 -3.11 0.38 0.00 0.02 0.00 0.00 34.50 31.59 1sg7 s PRO 30 CO 0.65 -0.30 1.71 1.05 -0.33 0.00 0.00 177.00 179.79 1sg7 h GLU 31 N 4.45 0.32 0.00 5.54 4.11 -1.92 1.00 114.58 128.08 1sg7 h GLU 31 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1sg7 h GLU 31 Cb 1.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sg7 h GLU 31 CO 0.73 0.21 0.00 -1.13 0.07 0.00 0.00 179.01 178.89 1sg7 n SER 32 N -5.08 0.43 -0.11 3.06 3.41 -1.26 0.22 113.62 114.29 1sg7 n SER 32 Ca 0.12 0.66 -0.19 0.00 -0.26 0.00 0.00 58.87 59.20 1sg7 n SER 32 Cb 0.37 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 1sg7 n SER 32 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sg7 n VAL 33 N -2.04 1.50 0.23 -3.33 0.31 0.30 -4.35 118.33 110.97 1sg7 n VAL 33 Ca 0.00 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.35 1sg7 n VAL 33 Cb 0.09 -2.11 0.56 0.00 -0.91 0.00 0.00 33.84 31.48 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 0.00 -0.82 5.55 1.57 -0.09 0.28 116.57 122.07 1sg7 h LYS 34 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1sg7 h LYS 34 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1sg7 h LYS 34 CO -0.20 0.20 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1sg7 n HIS 35 N -3.95 0.21 0.00 -1.35 8.25 0.13 -3.74 115.22 114.77 1sg7 n HIS 35 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1sg7 n HIS 35 Cb 0.28 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.02 0.00 -2.60 1.59 0.24 -0.92 -4.94 118.33 111.72 1sg7 n VAL 36 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1sg7 n VAL 36 Cb 0.31 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 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 -1.94 4.39 0.00 1.34 1.02 0.94 -1.80 118.68 122.63 1sg7 s LEU 37 Ca 0.00 1.83 0.00 0.00 0.02 0.00 0.00 54.13 55.98 1sg7 s LEU 37 Cb 0.00 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.63 1sg7 s LEU 37 CO 0.00 -0.31 0.31 -2.65 0.02 0.00 0.00 176.35 173.72 1sg7 n PRO 38 N 3.70 0.00 0.00 1.29 -0.02 -1.26 -4.81 135.00 133.90 1sg7 n PRO 38 Ca 0.06 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1sg7 n PRO 38 Cb 0.49 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 1sg7 n PRO 38 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sg7 n SER 39 N -0.39 0.00 0.02 2.55 7.64 -1.26 -4.88 113.62 117.30 1sg7 n SER 39 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1sg7 n SER 39 Cb 0.00 0.12 0.17 0.00 -1.01 0.00 0.00 64.21 63.49 1sg7 n SER 39 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1sg7 n HIS 40 N -1.87 0.10 0.17 1.43 -0.00 -1.26 -1.58 115.22 112.21 1sg7 n HIS 40 Ca 0.00 0.05 0.02 0.00 -0.00 0.00 0.00 57.72 57.79 1sg7 n HIS 40 Cb 0.00 -0.58 0.31 0.00 -0.00 0.00 0.00 29.99 29.72 1sg7 n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sg7 h ALA 41 N 2.17 1.20 -0.19 1.57 0.00 -1.92 -0.39 119.26 121.70 1sg7 h ALA 41 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1sg7 h ALA 41 Cb 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sg7 h ALA 41 CO 0.00 0.56 -0.71 1.96 0.00 0.00 0.00 179.25 181.06 1sg7 h GLN 42 N 0.00 0.81 -0.69 0.00 4.20 -1.64 1.34 115.11 119.14 1sg7 h GLN 42 Ca -0.00 -0.62 -0.07 0.00 0.06 0.00 0.00 58.65 58.02 1sg7 h GLN 42 Cb 0.82 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1sg7 h GLN 42 CO 0.06 1.23 0.15 0.22 -0.67 0.00 0.00 178.83 179.82 1sg7 h ASP 43 N 0.58 1.07 0.31 1.46 3.58 -1.60 0.69 116.42 122.51 1sg7 h ASP 43 Ca -0.03 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1sg7 h ASP 43 Cb 1.33 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1sg7 h ASP 43 CO 0.15 1.03 -0.15 0.40 -2.88 0.00 0.00 179.24 177.79 1sg7 h ILE 44 N 1.05 0.70 -0.32 2.25 2.04 -0.87 0.17 117.51 122.53 1sg7 h ILE 44 Ca 0.22 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1sg7 h ILE 44 Cb 0.39 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1sg7 h ILE 44 CO 0.01 0.10 -0.05 0.22 0.00 0.00 0.00 178.15 178.42 1sg7 h TYR 45 N -0.70 -0.12 0.09 1.37 5.03 0.20 0.11 116.97 122.96 1sg7 h TYR 45 Ca -0.04 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1sg7 h TYR 45 Cb 0.48 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1sg7 h TYR 45 CO 0.01 -0.11 -0.04 -0.22 -1.32 0.00 0.00 178.16 176.48 1sg7 h LYS 46 N 0.03 -0.12 -0.28 1.82 3.64 0.42 0.39 116.57 122.48 1sg7 h LYS 46 Ca 0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1sg7 h LYS 46 Cb 0.23 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1sg7 h LYS 46 CO -0.31 0.13 0.18 0.93 -2.27 0.00 0.00 179.45 178.11 1sg7 h GLU 47 N -0.35 0.36 0.06 1.90 4.39 -0.42 0.21 114.58 120.73 1sg7 h GLU 47 Ca -0.01 -0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 1sg7 h GLU 47 Cb 0.30 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1sg7 h GLU 47 CO 0.02 0.24 -1.12 0.00 -1.16 0.00 0.00 179.01 176.99 1sg7 h ALA 48 N 1.83 0.12 0.28 3.43 0.00 -0.65 -2.48 119.26 121.80 1sg7 h ALA 48 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1sg7 h ALA 48 Cb -0.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sg7 h ALA 48 CO -0.02 0.74 -0.13 0.35 0.00 0.00 0.00 179.25 180.18 1sg7 h PHE 49 N 0.29 -0.35 -0.67 0.00 3.04 -0.04 -1.89 116.94 117.32 1sg7 h PHE 49 Ca -0.14 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.88 1sg7 h PHE 49 Cb 1.78 0.12 -0.07 0.00 2.56 0.00 0.00 35.95 40.34 1sg7 h PHE 49 CO 0.09 -0.11 0.33 -0.91 -2.02 0.00 0.00 178.31 175.70 1sg7 h ASN 50 N -0.54 0.43 -0.49 0.41 -0.26 -0.69 0.76 115.58 115.20 1sg7 h ASN 50 Ca -0.04 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.81 1sg7 h ASN 50 Cb 0.40 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.59 1sg7 h ASN 50 CO 0.06 0.26 0.21 -1.28 -1.06 0.00 0.00 177.43 175.62 1sg7 h SER 51 N 0.57 0.26 0.64 5.81 0.87 -1.31 0.80 113.55 121.19 1sg7 h SER 51 Ca 0.32 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1sg7 h SER 51 Cb 0.32 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1sg7 h SER 51 CO -0.25 0.18 -0.54 0.00 -0.53 0.00 0.00 176.83 175.69 1sg7 h ALA 52 N 1.30 1.03 0.38 6.23 0.00 -0.43 0.25 119.26 128.02 1sg7 h ALA 52 Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sg7 h ALA 52 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sg7 h ALA 52 CO -0.20 0.67 -0.18 2.35 0.00 0.00 0.00 179.25 181.89 1sg7 h TRP 53 N 0.00 -0.47 -0.36 0.00 7.01 0.23 0.08 115.95 122.44 1sg7 h TRP 53 Ca -0.01 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 1sg7 h TRP 53 Cb 1.00 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1sg7 h TRP 53 CO 0.00 -0.14 -0.07 0.22 -2.79 0.00 0.00 178.44 175.66 1sg7 h ASP 54 N -0.90 0.58 0.67 2.65 1.82 0.53 -1.68 116.42 120.09 1sg7 h ASP 54 Ca -0.05 -0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.41 1sg7 h ASP 54 Cb 0.54 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1sg7 h ASP 54 CO 0.09 0.70 -0.15 1.56 -1.61 0.00 0.00 179.24 179.82 1sg7 h GLN 55 N 0.56 0.00 -2.85 0.28 4.20 -0.47 -3.28 115.11 113.55 1sg7 h GLN 55 Ca 0.11 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.52 1sg7 h GLN 55 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1sg7 h GLN 55 CO 0.02 0.15 1.50 0.98 -0.67 0.00 0.00 178.83 180.81 1sg7 n TYR 56 N -3.44 0.86 1.82 2.96 9.36 0.01 -4.39 117.16 124.34 1sg7 n TYR 56 Ca -0.01 -1.67 0.16 0.00 3.32 0.00 0.00 57.90 59.70 1sg7 n TYR 56 Cb 0.32 -1.56 0.87 0.00 -0.63 0.00 0.00 39.34 38.34 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 3.39 0.88 0.08 2.98 4.76 -1.24 -3.39 118.16 125.63 1sg7 n LYS 57 Ca 0.42 -0.05 -0.23 0.00 -2.87 0.00 0.00 58.31 55.58 1sg7 n LYS 57 Cb 0.38 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.13 0.62 -1.00 4.39 3.58 -1.93 -3.33 116.42 118.88 1sg7 h ASP 58 Ca 0.00 -0.92 -0.60 0.00 0.42 0.00 0.00 57.03 55.93 1sg7 h ASP 58 Cb 0.10 -0.20 -0.30 0.00 1.72 0.00 0.00 39.33 40.65 1sg7 h ASP 58 CO 0.00 1.63 0.77 1.17 -2.88 0.00 0.00 179.24 179.93 1sg7 n LYS 59 N -3.83 2.48 0.13 0.28 4.81 -1.22 -4.48 118.16 116.33 1sg7 n LYS 59 Ca -0.19 -3.16 -0.21 0.00 -0.87 0.00 0.00 58.31 53.88 1sg7 n LYS 59 Cb 0.99 -2.24 -0.15 0.00 0.02 0.00 0.00 35.03 33.65 1sg7 n LYS 59 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1sg7 h GLU 60 N 1.52 0.43 -0.56 1.64 -0.00 -1.67 -3.31 114.58 112.63 1sg7 h GLU 60 Ca 0.62 -0.74 -0.22 0.00 -0.00 0.00 0.00 59.36 59.02 1sg7 h GLU 60 Cb 1.79 0.27 -0.13 0.00 -0.00 0.00 0.00 28.75 30.68 1sg7 h GLU 60 CO 1.36 1.35 0.17 -0.40 -0.00 0.00 0.00 179.01 181.49 1sg7 n ASP 61 N -3.64 3.59 -4.73 3.06 5.68 -1.26 -4.97 116.55 114.28 1sg7 n ASP 61 Ca -0.14 -3.46 -0.33 0.00 -0.50 0.00 0.00 54.79 50.36 1sg7 n ASP 61 Cb 1.07 -0.69 -0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1sg7 n ASP 61 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1sg7 s ARG 62 N -3.12 2.90 0.42 0.11 1.81 -1.25 -4.99 118.95 114.85 1sg7 s ARG 62 Ca 0.49 -0.56 0.30 0.00 -1.72 0.00 0.00 55.73 54.24 1sg7 s ARG 62 Cb 0.42 -2.75 1.33 0.00 -0.45 0.00 0.00 34.95 33.49 1sg7 s ARG 62 CO 0.07 0.63 1.89 0.07 -0.68 0.00 0.00 175.30 177.28 1sg7 h ARG 63 N 4.23 0.00 -1.87 3.54 0.11 -1.93 -3.13 114.38 115.33 1sg7 h ARG 63 Ca -0.49 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.06 1sg7 h ARG 63 Cb 1.18 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.06 1sg7 h ARG 63 CO 0.59 0.00 0.54 -3.47 0.10 0.00 0.00 179.97 177.74 1sg7 n ASP 64 N -2.66 6.73 0.21 0.08 2.03 -1.26 -4.63 116.55 117.05 1sg7 n ASP 64 Ca 0.00 -3.33 0.11 0.00 0.52 0.00 0.00 54.79 52.10 1sg7 n ASP 64 Cb 0.21 -1.16 0.68 0.00 -0.72 0.00 0.00 41.12 40.13 1sg7 n ASP 64 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1sg7 h ASP 65 N 2.72 0.00 -0.92 1.67 3.58 -1.80 -1.41 116.42 120.26 1sg7 h ASP 65 Ca 0.42 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.98 1sg7 h ASP 65 Cb 0.63 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.60 1sg7 h ASP 65 CO 1.00 0.00 0.55 0.00 -2.88 0.00 0.00 179.24 177.92 1sg7 h ALA 66 N 1.93 1.36 -0.70 -0.78 0.00 -1.92 0.51 119.26 119.67 1sg7 h ALA 66 Ca 0.06 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1sg7 h ALA 66 Cb 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1sg7 h ALA 66 CO -0.00 0.15 0.27 1.03 0.00 0.00 0.00 179.25 180.71 1sg7 h SER 67 N 0.89 0.26 0.34 0.00 0.87 -1.64 0.99 113.55 115.25 1sg7 h SER 67 Ca 0.46 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1sg7 h SER 67 Cb 0.45 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1sg7 h SER 67 CO -0.27 0.12 -0.32 -0.09 -0.53 0.00 0.00 176.83 175.74 1sg7 h ARG 68 N 0.43 -0.63 -0.70 2.24 1.12 -1.00 0.71 114.38 116.56 1sg7 h ARG 68 Ca 0.37 0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.44 1sg7 h ARG 68 Cb 0.53 0.14 -0.12 0.00 -0.01 0.00 0.00 29.97 30.51 1sg7 h ARG 68 CO -0.37 -0.42 0.05 1.49 -3.11 0.00 0.00 179.97 177.61 1sg7 h GLU 69 N -0.66 0.14 0.33 0.20 4.81 -0.76 0.15 114.58 118.80 1sg7 h GLU 69 Ca -0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sg7 h GLU 69 Cb 0.56 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1sg7 h GLU 69 CO -0.03 0.09 -0.50 1.49 -0.73 0.00 0.00 179.01 179.33 1sg7 h GLU 70 N 0.15 -0.85 -0.46 1.92 4.57 0.16 -0.17 114.58 119.90 1sg7 h GLU 70 Ca 0.38 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.71 1sg7 h GLU 70 Cb 0.65 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.34 1sg7 h GLU 70 CO -0.58 -0.56 -0.11 1.15 -1.18 0.00 0.00 179.01 177.73 1sg7 h THR 71 N -0.88 0.54 -0.66 0.32 2.02 0.18 0.67 112.91 115.11 1sg7 h THR 71 Ca -0.03 -0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.28 1sg7 h THR 71 Cb 0.81 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.66 1sg7 h THR 71 CO -0.16 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.84 1sg7 h ALA 72 N 1.46 0.78 -0.40 6.16 0.00 -0.27 0.62 119.26 127.61 1sg7 h ALA 72 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1sg7 h ALA 72 Cb 0.33 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1sg7 h ALA 72 CO -0.47 -0.34 -0.01 0.45 0.00 0.00 0.00 179.25 178.87 1sg7 h HIS 73 N 0.22 -0.05 -0.52 0.00 -0.00 0.93 0.79 115.15 116.52 1sg7 h HIS 73 Ca 0.36 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.77 1sg7 h HIS 73 Cb 0.58 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 1sg7 h HIS 73 CO -0.29 -0.09 0.33 0.87 -0.00 0.00 0.00 177.93 178.75 1sg7 h LYS 74 N 0.09 0.64 0.55 2.45 6.56 0.10 -0.91 116.57 126.05 1sg7 h LYS 74 Ca 0.20 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.72 1sg7 h LYS 74 Cb 0.28 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1sg7 h LYS 74 CO -0.34 0.43 -0.26 0.28 -2.06 0.00 0.00 179.45 177.49 1sg7 h VAL 75 N 0.66 0.29 -0.85 0.50 2.07 0.11 -2.10 116.25 116.93 1sg7 h VAL 75 Ca 0.20 -0.39 0.22 0.00 0.82 0.00 0.00 66.70 67.55 1sg7 h VAL 75 Cb -0.03 0.41 -0.14 0.00 -1.52 0.00 0.00 31.29 30.00 1sg7 h VAL 75 CO -0.07 0.04 0.16 0.00 0.02 0.00 0.00 177.57 177.73 1sg7 h ALA 76 N -0.80 1.14 -0.74 1.67 0.00 0.63 0.81 119.26 121.96 1sg7 h ALA 76 Ca -0.07 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sg7 h ALA 76 Cb 0.63 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1sg7 h ALA 76 CO 0.12 -0.46 0.48 -1.49 0.00 0.00 0.00 179.25 177.91 1sg7 h TRP 77 N 0.17 0.95 -0.75 0.00 4.06 -1.11 -0.63 115.95 118.64 1sg7 h TRP 77 Ca 0.52 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.64 1sg7 h TRP 77 Cb 1.02 -0.32 -0.10 0.00 -1.00 0.00 0.00 29.16 28.75 1sg7 h TRP 77 CO -0.32 0.61 0.24 0.00 -3.56 0.00 0.00 178.44 175.40 1sg7 h ALA 78 N 1.26 1.02 -0.34 1.49 0.00 0.13 1.55 119.26 124.38 1sg7 h ALA 78 Ca 0.27 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1sg7 h ALA 78 Cb -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sg7 h ALA 78 CO -0.06 -0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.03 1sg7 h ALA 79 N 1.59 0.44 0.31 0.00 0.00 -0.54 -0.94 119.26 120.12 1sg7 h ALA 79 Ca 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1sg7 h ALA 79 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sg7 h ALA 79 CO -0.47 0.06 -0.15 0.28 0.00 0.00 0.00 179.25 178.97 1sg7 h VAL 80 N 0.40 0.70 0.00 0.00 2.07 0.10 0.24 116.25 119.75 1sg7 h VAL 80 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1sg7 h VAL 80 Cb 0.21 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1sg7 h VAL 80 CO -0.01 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.69 1sg7 h LYS 81 N -0.41 0.00 0.02 1.57 1.57 0.21 2.74 116.57 122.26 1sg7 h LYS 81 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1sg7 h LYS 81 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1sg7 h LYS 81 CO 0.07 0.00 -0.76 1.25 -0.57 0.00 0.00 179.45 179.44 1sg7 h HIS 82 N 0.00 0.06 0.00 -1.35 2.76 -0.05 -3.37 115.15 113.20 1sg7 h HIS 82 Ca 0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1sg7 h HIS 82 Cb 0.08 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1sg7 h HIS 82 CO 0.00 1.30 -0.70 0.39 -1.30 0.00 0.00 177.93 177.61 1sg7 n GLU 83 N -4.44 0.05 -4.14 5.26 1.02 -0.04 -4.26 120.64 114.09 1sg7 n GLU 83 Ca -0.22 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.77 1sg7 n GLU 83 Cb 0.63 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.03 0.76 0.07 -0.32 1.51 0.91 0.26 117.35 117.50 1sg7 s TYR 84 Ca 0.09 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1sg7 s TYR 84 Cb 0.17 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 1sg7 s TYR 84 CO 0.76 -0.04 -0.23 0.00 -1.11 0.00 0.00 175.55 174.93 1sg7 s ALA 85 N -1.02 1.97 -0.17 3.71 0.00 0.28 -3.64 121.76 122.89 1sg7 s ALA 85 Ca -0.05 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1sg7 s ALA 85 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1sg7 s ALA 85 CO 0.01 0.44 0.52 0.21 0.00 0.00 0.00 175.76 176.93 1sg7 s LYS 86 N -1.45 4.25 0.00 0.00 2.20 -1.26 0.11 119.74 123.59 1sg7 s LYS 86 Ca 0.09 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1sg7 s LYS 86 Cb -0.09 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1sg7 s LYS 86 CO 0.03 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1sg7 n GLY 87 N 3.66 -1.59 0.89 5.54 0.00 -0.08 -4.80 105.19 108.81 1sg7 n GLY 87 Ca -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.44 0.97 0.00 1.61 5.75 -1.26 -4.62 116.55 116.56 1sg7 n ASP 88 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1sg7 n ASP 88 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1sg7 n ASP 88 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1sg7 n ASP 89 N 0.70 0.00 -2.14 -1.12 9.92 -1.26 -5.04 116.55 117.61 1sg7 n ASP 89 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1sg7 n ASP 89 Cb 0.17 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.75 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 0.00 5.96 -4.32 -2.24 8.00 -1.26 -4.95 116.55 117.74 1sg7 n ASP 90 Ca 0.00 -3.75 -0.18 0.00 0.71 0.00 0.00 54.79 51.57 1sg7 n ASP 90 Cb 0.00 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.18 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sg7 s LYS 91 N -3.63 1.27 0.25 -1.24 1.02 -1.26 -4.77 119.74 111.37 1sg7 s LYS 91 Ca 0.59 -1.52 0.09 0.00 0.02 0.00 0.00 55.97 55.15 1sg7 s LYS 91 Cb 0.48 -1.08 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1sg7 s LYS 91 CO 0.02 0.18 -0.14 -1.58 -0.92 0.00 0.00 175.35 172.91 1sg7 s TRP 92 N -2.81 1.99 -0.04 3.18 0.52 -0.74 -0.90 118.94 120.13 1sg7 s TRP 92 Ca 0.20 -0.51 -0.03 0.00 0.02 0.00 0.00 56.10 55.77 1sg7 s TRP 92 Cb -0.01 -0.96 0.01 0.00 -1.15 0.00 0.00 33.47 31.36 1sg7 s TRP 92 CO 0.06 0.47 0.10 -3.38 0.02 0.00 0.00 176.95 174.22 1sg7 s HIS 93 N -2.81 -0.11 0.06 -1.98 -3.43 0.31 -4.16 115.29 103.18 1sg7 s HIS 93 Ca 0.27 0.28 -0.33 0.00 -0.80 0.00 0.00 55.06 54.47 1sg7 s HIS 93 Cb -0.01 0.02 -0.12 0.00 -1.43 0.00 0.00 32.58 31.04 1sg7 s HIS 93 CO 0.11 -0.06 1.77 1.17 -2.00 0.00 0.00 174.74 175.73 1sg7 n LYS 94 N 3.17 2.38 0.00 -0.38 4.81 -1.26 0.10 118.16 126.98 1sg7 n LYS 94 Ca -0.14 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1sg7 n LYS 94 Cb 0.58 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.93 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 5.30 0.00 0.00 1.64 4.76 0.73 -4.78 118.16 125.80 1sg7 n LYS 95 Ca 0.19 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.66 1sg7 n LYS 95 Cb 0.32 -0.42 0.16 0.00 -1.84 0.00 0.00 35.03 33.25 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48