#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 2.62 -0.07 6.00 2.02 -1.26 -4.78 117.35 121.88 1sg7 s TYR 23 Ca 0.00 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1sg7 s TYR 23 Cb 0.00 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1sg7 s TYR 23 CO 0.00 0.10 -0.07 1.63 -1.57 0.00 0.00 175.55 175.64 1sg7 n LYS 24 N 2.42 0.16 0.07 -0.62 4.76 -1.26 -4.99 118.16 118.70 1sg7 n LYS 24 Ca -0.17 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1sg7 n LYS 24 Cb 0.52 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.97 0.78 0.00 -0.18 -2.24 -1.26 -5.08 114.28 103.33 1sg7 n THR 25 Ca -0.13 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1sg7 n THR 25 Cb 0.61 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.41 0.00 0.31 -0.78 4.81 -1.26 -4.86 118.16 112.97 1sg7 n LYS 26 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1sg7 n LYS 26 Cb 0.05 0.00 1.02 0.00 0.02 0.00 0.00 35.03 36.12 1sg7 n LYS 26 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sg7 h SER 27 N 0.00 0.00 0.35 3.14 0.02 -1.98 0.79 113.55 115.87 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 -3.78 3.07 5.19 -1.91 -3.44 116.42 115.54 1sg7 h ASP 28 Ca 0.02 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.92 1sg7 h ASP 28 Cb 0.27 0.00 0.21 0.00 0.18 0.00 0.00 39.33 39.98 1sg7 h ASP 28 CO -0.00 0.00 -0.11 0.18 -3.12 0.00 0.00 179.24 176.19 1sg7 n LEU 29 N -2.95 1.40 -4.75 1.55 4.77 0.27 -4.80 117.00 112.49 1sg7 n LEU 29 Ca -0.01 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 1sg7 n LEU 29 Cb 0.15 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 1sg7 n LEU 29 CO 0.21 -2.78 1.10 -2.84 -1.33 0.00 0.00 177.39 171.75 1sg7 s PRO 30 N -4.26 4.26 0.20 3.23 0.02 -1.26 -4.72 135.00 132.47 1sg7 s PRO 30 Ca 0.64 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.85 1sg7 s PRO 30 Cb -0.22 -3.08 0.22 0.00 0.02 0.00 0.00 34.50 31.44 1sg7 s PRO 30 CO 0.62 -0.41 1.64 1.05 -0.33 0.00 0.00 177.00 179.57 1sg7 h GLU 31 N 4.58 0.01 0.00 5.54 4.11 -1.91 1.28 114.58 128.19 1sg7 h GLU 31 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1sg7 h GLU 31 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sg7 h GLU 31 CO 0.75 0.01 0.07 0.45 0.07 0.00 0.00 179.01 180.35 1sg7 n SER 32 N -5.39 0.52 -0.10 3.06 2.88 -1.26 0.86 113.62 114.18 1sg7 n SER 32 Ca 0.07 0.72 -0.16 0.00 -1.33 0.00 0.00 58.87 58.17 1sg7 n SER 32 Cb 0.31 -0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 62.95 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 -2.22 1.50 0.24 2.46 0.31 0.40 -4.29 118.33 116.72 1sg7 n VAL 33 Ca -0.01 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.37 1sg7 n VAL 33 Cb 0.10 -2.17 0.58 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.61 5.55 1.57 0.16 0.94 116.57 123.18 1sg7 h LYS 34 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1sg7 h LYS 34 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1sg7 h LYS 34 CO -0.16 0.14 0.00 0.72 -0.57 0.00 0.00 179.45 179.58 1sg7 n HIS 35 N -4.23 0.17 0.00 -1.35 8.25 0.25 -3.77 115.22 114.54 1sg7 n HIS 35 Ca -0.02 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1sg7 n HIS 35 Cb 0.21 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.08 0.00 -3.20 1.59 0.24 -0.65 -4.96 118.33 111.28 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 0.23 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.63 4.24 0.00 1.34 1.02 0.32 -2.26 118.68 121.71 1sg7 s LEU 37 Ca 0.00 0.89 -0.24 0.00 0.02 0.00 0.00 54.13 54.81 1sg7 s LEU 37 Cb 0.00 -2.83 0.37 0.00 0.02 0.00 0.00 46.19 43.75 1sg7 s LEU 37 CO 0.00 -0.11 0.87 -2.65 0.02 0.00 0.00 176.35 174.48 1sg7 n PRO 38 N 4.12 -4.67 0.00 1.29 -0.02 -1.26 -4.67 135.00 129.79 1sg7 n PRO 38 Ca -0.04 -1.45 0.00 0.00 -2.02 0.00 0.00 63.50 59.99 1sg7 n PRO 38 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1sg7 n PRO 38 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sg7 n SER 39 N -5.68 0.00 0.28 2.55 3.41 -1.26 -2.57 113.62 110.35 1sg7 n SER 39 Ca 0.14 0.71 0.17 0.00 -0.26 0.00 0.00 58.87 59.62 1sg7 n SER 39 Cb 0.58 -0.21 0.82 0.00 -0.26 0.00 0.00 64.21 65.14 1sg7 n SER 39 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sg7 h HIS 40 N 0.00 0.00 -0.21 7.33 -0.00 -2.01 -0.87 115.15 119.39 1sg7 h HIS 40 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 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 -0.07 0.00 -0.48 0.00 -0.00 0.00 0.00 177.93 177.38 1sg7 h ALA 41 N 1.41 0.77 -0.53 5.26 0.00 -1.83 -1.45 119.26 122.88 1sg7 h ALA 41 Ca 0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1sg7 h ALA 41 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1sg7 h ALA 41 CO -0.00 0.67 -0.08 1.96 0.00 0.00 0.00 179.25 181.80 1sg7 h GLN 42 N 0.44 0.97 -0.50 0.00 4.20 -0.88 1.13 115.11 120.46 1sg7 h GLN 42 Ca 0.02 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 1sg7 h GLN 42 Cb 1.00 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1sg7 h GLN 42 CO 0.09 1.00 0.19 0.22 -0.67 0.00 0.00 178.83 179.66 1sg7 h ASP 43 N 0.87 0.70 0.44 1.46 3.58 -1.52 1.07 116.42 123.02 1sg7 h ASP 43 Ca 0.14 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1sg7 h ASP 43 Cb 0.62 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1sg7 h ASP 43 CO 0.04 0.69 -0.21 0.40 -2.88 0.00 0.00 179.24 177.28 1sg7 h ILE 44 N 0.67 0.57 0.22 2.25 2.04 -0.76 0.82 117.51 123.33 1sg7 h ILE 44 Ca 0.17 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1sg7 h ILE 44 Cb 0.22 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1sg7 h ILE 44 CO -0.01 0.00 -0.30 0.22 0.00 0.00 0.00 178.15 178.06 1sg7 h TYR 45 N -0.59 -0.85 0.00 1.37 5.03 0.17 0.76 116.97 122.86 1sg7 h TYR 45 Ca -0.06 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.29 1sg7 h TYR 45 Cb 0.45 0.34 -0.05 0.00 1.55 0.00 0.00 36.73 39.03 1sg7 h TYR 45 CO -0.05 -0.38 -0.26 -0.22 -1.32 0.00 0.00 178.16 175.93 1sg7 h LYS 46 N -0.55 -0.39 -0.64 1.82 3.64 0.12 1.14 116.57 121.72 1sg7 h LYS 46 Ca -0.03 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1sg7 h LYS 46 Cb 0.49 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1sg7 h LYS 46 CO -0.08 -0.26 0.42 0.93 -2.27 0.00 0.00 179.45 178.19 1sg7 h GLU 47 N -0.41 0.70 -0.05 1.90 4.39 0.76 0.64 114.58 122.51 1sg7 h GLU 47 Ca 0.06 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.47 1sg7 h GLU 47 Cb 0.49 -0.16 0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1sg7 h GLU 47 CO -0.23 0.46 -0.94 0.00 -1.16 0.00 0.00 179.01 177.14 1sg7 h ALA 48 N 1.64 0.22 0.34 3.43 0.00 0.14 -2.57 119.26 122.46 1sg7 h ALA 48 Ca 0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1sg7 h ALA 48 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sg7 h ALA 48 CO -0.07 0.70 -0.16 0.35 0.00 0.00 0.00 179.25 180.06 1sg7 h PHE 49 N 0.43 -0.43 -0.79 0.00 3.04 0.25 -2.50 116.94 116.94 1sg7 h PHE 49 Ca -0.10 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 61.98 1sg7 h PHE 49 Cb 1.58 0.14 -0.09 0.00 2.56 0.00 0.00 35.95 40.14 1sg7 h PHE 49 CO 0.09 -0.17 0.36 -0.91 -2.02 0.00 0.00 178.31 175.66 1sg7 h ASN 50 N -0.62 0.40 -0.58 0.41 -0.26 0.17 0.41 115.58 115.50 1sg7 h ASN 50 Ca -0.05 0.10 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1sg7 h ASN 50 Cb 0.45 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.70 1sg7 h ASN 50 CO 0.08 0.16 0.29 -1.28 -1.06 0.00 0.00 177.43 175.62 1sg7 h SER 51 N 0.53 0.40 0.70 5.81 0.87 -1.31 0.46 113.55 121.01 1sg7 h SER 51 Ca 0.43 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.92 1sg7 h SER 51 Cb 0.62 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1sg7 h SER 51 CO -0.37 0.26 -0.52 0.00 -0.53 0.00 0.00 176.83 175.66 1sg7 h ALA 52 N 1.33 0.99 0.26 6.23 0.00 -0.62 0.19 119.26 127.64 1sg7 h ALA 52 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sg7 h ALA 52 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1sg7 h ALA 52 CO -0.20 0.66 -0.12 2.35 0.00 0.00 0.00 179.25 181.93 1sg7 h TRP 53 N 0.00 -0.32 -0.23 0.00 7.01 0.15 0.39 115.95 122.94 1sg7 h TRP 53 Ca -0.01 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 1sg7 h TRP 53 Cb 1.02 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.17 1sg7 h TRP 53 CO 0.00 0.01 -0.24 0.22 -2.79 0.00 0.00 178.44 175.64 1sg7 h ASP 54 N -0.70 0.43 0.59 2.65 3.58 -0.15 -2.26 116.42 120.56 1sg7 h ASP 54 Ca -0.04 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 1sg7 h ASP 54 Cb 0.48 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1sg7 h ASP 54 CO 0.06 0.68 -0.22 1.56 -2.88 0.00 0.00 179.24 178.44 1sg7 h GLN 55 N 0.39 0.00 -2.34 0.28 4.20 -0.53 -3.27 115.11 113.84 1sg7 h GLN 55 Ca 0.06 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1sg7 h GLN 55 Cb 0.63 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1sg7 h GLN 55 CO 0.05 0.22 0.02 0.98 -0.67 0.00 0.00 178.83 179.42 1sg7 n TYR 56 N -3.61 0.00 1.32 2.96 9.36 0.12 -4.34 117.16 122.96 1sg7 n TYR 56 Ca -0.01 -0.72 0.11 0.00 3.32 0.00 0.00 57.90 60.60 1sg7 n TYR 56 Cb 0.35 -0.85 0.64 0.00 -0.63 0.00 0.00 39.34 38.85 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 2.45 0.62 0.04 2.98 4.76 -1.24 -1.30 118.16 126.48 1sg7 n LYS 57 Ca 0.16 0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1sg7 n LYS 57 Cb 0.43 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.00 0.66 0.00 4.39 3.58 -1.93 -3.43 116.42 119.69 1sg7 h ASP 58 Ca 0.00 -0.48 -0.09 0.00 0.42 0.00 0.00 57.03 56.88 1sg7 h ASP 58 Cb 0.04 -0.20 -0.09 0.00 1.72 0.00 0.00 39.33 40.80 1sg7 h ASP 58 CO 0.00 1.27 0.09 1.17 -2.88 0.00 0.00 179.24 178.88 1sg7 n LYS 59 N -3.82 0.32 0.02 0.28 4.81 -1.18 -5.05 118.16 113.54 1sg7 n LYS 59 Ca -0.07 -0.75 -0.11 0.00 -0.87 0.00 0.00 58.31 56.52 1sg7 n LYS 59 Cb 0.79 0.01 -0.08 0.00 0.02 0.00 0.00 35.03 35.77 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 1.08 -0.13 -1.22 1.64 4.11 -1.47 -3.37 114.58 115.23 1sg7 h GLU 60 Ca -0.47 0.01 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 1sg7 h GLU 60 Cb 1.22 0.03 -0.34 0.00 0.50 0.00 0.00 28.75 30.16 1sg7 h GLU 60 CO -0.17 0.37 0.31 -3.47 0.07 0.00 0.00 179.01 176.12 1sg7 n ASP 61 N -4.85 6.63 0.00 3.06 -0.08 -1.26 -3.99 116.55 116.07 1sg7 n ASP 61 Ca -0.07 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.42 1sg7 n ASP 61 Cb 0.28 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1sg7 n ASP 61 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1sg7 n ARG 62 N -0.73 0.00 -0.11 -0.67 5.12 -1.26 -5.01 116.66 114.00 1sg7 n ARG 62 Ca 0.53 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 56.23 1sg7 n ARG 62 Cb 0.64 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.83 1sg7 n ARG 62 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1sg7 n ARG 63 N 0.00 0.64 -2.14 5.56 1.85 -1.26 -4.54 116.66 116.77 1sg7 n ARG 63 Ca 0.00 0.24 -0.39 0.00 -1.00 0.00 0.00 57.85 56.70 1sg7 n ARG 63 Cb 0.00 -1.56 0.02 0.00 -1.05 0.00 0.00 32.46 29.87 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 -3.69 7.41 0.18 2.89 -0.08 -1.26 -4.72 116.55 117.28 1sg7 n ASP 64 Ca -0.45 -3.66 0.12 0.00 -1.51 0.00 0.00 54.79 49.29 1sg7 n ASP 64 Cb 0.94 -1.15 0.65 0.00 2.34 0.00 0.00 41.12 43.91 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 3.58 0.00 -0.70 1.67 5.19 -1.76 -1.51 116.42 122.89 1sg7 h ASP 65 Ca 0.55 -0.00 0.05 0.00 -0.62 0.00 0.00 57.03 57.01 1sg7 h ASP 65 Cb 0.23 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 1sg7 h ASP 65 CO 1.29 0.00 0.41 0.00 -3.12 0.00 0.00 179.24 177.82 1sg7 h ALA 66 N 1.92 0.94 -0.67 3.45 0.00 -1.85 -1.13 119.26 121.92 1sg7 h ALA 66 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1sg7 h ALA 66 Cb 0.32 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1sg7 h ALA 66 CO -0.00 0.11 0.17 1.03 0.00 0.00 0.00 179.25 180.56 1sg7 h SER 67 N 0.76 0.04 0.35 0.00 0.87 -1.63 1.15 113.55 115.08 1sg7 h SER 67 Ca 0.30 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1sg7 h SER 67 Cb 0.15 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1sg7 h SER 67 CO -0.16 0.01 -0.32 -0.09 -0.53 0.00 0.00 176.83 175.73 1sg7 h ARG 68 N 0.29 -0.64 -0.69 2.24 1.12 -1.28 0.56 114.38 115.98 1sg7 h ARG 68 Ca 0.36 0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.43 1sg7 h ARG 68 Cb 0.57 0.14 -0.12 0.00 -0.01 0.00 0.00 29.97 30.56 1sg7 h ARG 68 CO -0.44 -0.42 -0.01 1.49 -3.11 0.00 0.00 179.97 177.47 1sg7 h GLU 69 N -0.66 0.10 0.18 0.20 4.81 -0.55 0.28 114.58 118.93 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 0.57 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1sg7 h GLU 69 CO -0.02 0.06 -0.38 1.49 -0.73 0.00 0.00 179.01 179.43 1sg7 h GLU 70 N 0.10 -0.59 -0.45 1.92 4.57 0.18 0.16 114.58 120.48 1sg7 h GLU 70 Ca 0.37 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.68 1sg7 h GLU 70 Cb 0.61 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.25 1sg7 h GLU 70 CO -0.61 -0.39 -0.14 1.15 -1.18 0.00 0.00 179.01 177.84 1sg7 h THR 71 N -0.61 0.50 -0.77 0.32 2.02 0.12 0.20 112.91 114.70 1sg7 h THR 71 Ca -0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.31 1sg7 h THR 71 Cb 0.58 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.39 1sg7 h THR 71 CO -0.15 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.04 1sg7 h ALA 72 N 1.37 1.09 -0.32 6.16 0.00 -0.09 0.71 119.26 128.18 1sg7 h ALA 72 Ca 0.22 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1sg7 h ALA 72 Cb 0.37 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1sg7 h ALA 72 CO -0.48 -0.22 0.02 0.45 0.00 0.00 0.00 179.25 179.02 1sg7 h HIS 73 N 0.44 0.02 -0.63 0.00 -0.00 0.23 0.73 115.15 115.94 1sg7 h HIS 73 Ca 0.43 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.84 1sg7 h HIS 73 Cb 0.66 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 1sg7 h HIS 73 CO -0.17 -0.04 0.40 0.87 -0.00 0.00 0.00 177.93 179.00 1sg7 h LYS 74 N 0.12 0.76 0.66 2.45 6.56 0.15 -0.69 116.57 126.58 1sg7 h LYS 74 Ca 0.16 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1sg7 h LYS 74 Cb 0.20 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1sg7 h LYS 74 CO -0.25 0.50 -0.32 0.28 -2.06 0.00 0.00 179.45 177.61 1sg7 h VAL 75 N 0.79 0.13 -0.72 0.50 2.07 0.13 -1.03 116.25 118.11 1sg7 h VAL 75 Ca 0.25 -0.31 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1sg7 h VAL 75 Cb -0.01 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 29.82 1sg7 h VAL 75 CO -0.09 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.47 1sg7 h ALA 76 N -1.05 0.68 -0.72 1.67 0.00 0.52 0.64 119.26 121.00 1sg7 h ALA 76 Ca -0.09 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sg7 h ALA 76 Cb 0.71 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1sg7 h ALA 76 CO 0.15 -0.42 0.45 -1.49 0.00 0.00 0.00 179.25 177.94 1sg7 h TRP 77 N 0.07 0.84 -0.66 0.00 4.06 -1.10 0.92 115.95 120.09 1sg7 h TRP 77 Ca 0.38 0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.48 1sg7 h TRP 77 Cb 0.65 -0.27 -0.09 0.00 -1.00 0.00 0.00 29.16 28.45 1sg7 h TRP 77 CO -0.45 0.48 0.21 0.00 -3.56 0.00 0.00 178.44 175.11 1sg7 h ALA 78 N 1.31 0.85 -0.45 1.49 0.00 0.16 1.55 119.26 124.17 1sg7 h ALA 78 Ca 0.29 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1sg7 h ALA 78 Cb 0.03 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sg7 h ALA 78 CO -0.11 -0.25 0.13 0.00 0.00 0.00 0.00 179.25 179.02 1sg7 h ALA 79 N 1.49 0.59 0.23 0.00 0.00 -0.17 -1.26 119.26 120.15 1sg7 h ALA 79 Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sg7 h ALA 79 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sg7 h ALA 79 CO -0.39 0.25 -0.14 0.28 0.00 0.00 0.00 179.25 179.26 1sg7 h VAL 80 N 0.59 0.71 0.00 0.00 2.07 0.17 -0.45 116.25 119.34 1sg7 h VAL 80 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1sg7 h VAL 80 Cb 0.28 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1sg7 h VAL 80 CO -0.00 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.70 1sg7 h LYS 81 N -0.35 0.00 0.04 1.57 1.57 0.22 3.26 116.57 122.89 1sg7 h LYS 81 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1sg7 h LYS 81 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1sg7 h LYS 81 CO 0.03 0.00 -0.72 1.25 -0.57 0.00 0.00 179.45 179.44 1sg7 h HIS 82 N 0.00 0.17 0.00 -1.35 2.76 -0.01 -3.37 115.15 113.35 1sg7 h HIS 82 Ca 0.00 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1sg7 h HIS 82 Cb 0.07 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1sg7 h HIS 82 CO 0.00 1.28 -0.86 0.39 -1.30 0.00 0.00 177.93 177.44 1sg7 n GLU 83 N -4.36 0.05 -4.11 5.26 1.02 -0.30 -4.22 120.64 113.99 1sg7 n GLU 83 Ca -0.19 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.80 1sg7 n GLU 83 Cb 0.66 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 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 -3.04 0.67 0.07 -0.32 1.51 1.08 0.24 117.35 117.56 1sg7 s TYR 84 Ca 0.08 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1sg7 s TYR 84 Cb 0.16 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.58 1sg7 s TYR 84 CO 0.81 -0.05 -0.22 0.00 -1.11 0.00 0.00 175.55 174.97 1sg7 s ALA 85 N -1.00 1.90 -0.15 3.71 0.00 0.32 -3.50 121.76 123.03 1sg7 s ALA 85 Ca -0.06 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1sg7 s ALA 85 Cb -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1sg7 s ALA 85 CO 0.00 0.42 0.63 0.21 0.00 0.00 0.00 175.76 177.02 1sg7 s LYS 86 N -1.50 4.29 0.00 0.00 2.20 -1.26 0.11 119.74 123.59 1sg7 s LYS 86 Ca 0.08 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 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 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1sg7 n GLY 87 N 3.51 -1.40 0.98 5.54 0.00 0.15 -4.80 105.19 109.18 1sg7 n GLY 87 Ca -0.02 -1.60 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 -2.36 1.01 0.00 1.61 5.75 -1.26 -4.62 116.55 116.68 1sg7 n ASP 88 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1sg7 n ASP 88 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.80 0.00 -2.29 -1.12 9.92 -1.26 -5.03 116.55 117.57 1sg7 n ASP 89 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 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 6.89 -4.31 -2.24 9.92 -1.26 -4.93 116.55 120.62 1sg7 n ASP 90 Ca 0.00 -3.76 -0.17 0.00 -0.53 0.00 0.00 54.79 50.33 1sg7 n ASP 90 Cb 0.00 -0.93 -0.10 0.00 -0.64 0.00 0.00 41.12 39.45 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 -3.73 1.23 0.21 -1.24 1.02 -1.26 -4.81 119.74 111.16 1sg7 s LYS 91 Ca 0.63 -1.55 0.07 0.00 0.02 0.00 0.00 55.97 55.14 1sg7 s LYS 91 Cb 0.50 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 1sg7 s LYS 91 CO 0.01 0.11 -0.13 -1.58 -0.92 0.00 0.00 175.35 172.84 1sg7 s TRP 92 N -3.16 1.70 0.00 3.18 0.52 -0.96 -0.67 118.94 119.54 1sg7 s TRP 92 Ca 0.21 -0.61 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 1sg7 s TRP 92 Cb 0.01 -0.82 -0.00 0.00 -1.15 0.00 0.00 33.47 31.51 1sg7 s TRP 92 CO 0.05 0.32 0.01 -3.38 0.02 0.00 0.00 176.95 173.97 1sg7 s HIS 93 N -3.02 0.07 0.05 -1.98 -3.43 0.30 -4.48 115.29 102.80 1sg7 s HIS 93 Ca 0.23 -0.13 -0.32 0.00 -0.80 0.00 0.00 55.06 54.04 1sg7 s HIS 93 Cb 0.00 -0.06 -0.11 0.00 -1.43 0.00 0.00 32.58 30.99 1sg7 s HIS 93 CO 0.07 -0.08 1.88 1.17 -2.00 0.00 0.00 174.74 175.78 1sg7 n LYS 94 N 2.52 2.65 0.00 -0.38 4.81 -1.26 0.12 118.16 126.61 1sg7 n LYS 94 Ca -0.16 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1sg7 n LYS 94 Cb 0.58 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.76 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 6.42 0.00 0.00 1.64 4.76 0.67 -4.80 118.16 126.85 1sg7 n LYS 95 Ca 0.20 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.77 1sg7 n LYS 95 Cb 0.36 -0.40 0.37 0.00 -1.84 0.00 0.00 35.03 33.52 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48