#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 2.58 -0.04 6.00 2.02 -1.26 -4.81 117.35 121.84 1sg7 s TYR 23 Ca 0.00 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1sg7 s TYR 23 Cb 0.00 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1sg7 s TYR 23 CO 0.00 0.12 -0.04 1.17 -1.57 0.00 0.00 175.55 175.23 1sg7 n LYS 24 N 2.33 0.09 0.06 -0.62 3.00 -1.26 -4.99 118.16 116.78 1sg7 n LYS 24 Ca -0.17 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 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 -2.82 0.76 0.00 3.15 -2.24 -1.26 -5.08 114.28 106.79 1sg7 n THR 25 Ca -0.07 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1sg7 n THR 25 Cb 0.57 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 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 -3.39 0.00 0.31 -0.78 5.02 -1.26 -4.83 118.16 113.23 1sg7 n LYS 26 Ca 0.00 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.48 1sg7 n LYS 26 Cb 0.07 0.00 0.99 0.00 -0.02 0.00 0.00 35.03 36.06 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 0.49 4.39 0.02 -1.98 0.23 113.55 116.70 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 0.47 -1.14 0.00 0.00 176.83 176.16 1sg7 n ASP 28 N -3.16 0.00 -4.60 3.07 9.92 -1.26 -4.82 116.55 115.71 1sg7 n ASP 28 Ca -0.02 0.35 -0.29 0.00 -0.53 0.00 0.00 54.79 54.30 1sg7 n ASP 28 Cb 0.24 -0.43 0.20 0.00 -0.64 0.00 0.00 41.12 40.49 1sg7 n ASP 28 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sg7 s LEU 29 N -2.86 1.75 0.24 0.64 1.43 0.79 -4.76 118.68 115.91 1sg7 s LEU 29 Ca 0.11 1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 54.60 1sg7 s LEU 29 Cb 0.11 -3.86 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1sg7 s LEU 29 CO 0.29 -3.51 1.40 -2.84 0.23 0.00 0.00 176.35 171.91 1sg7 s PRO 30 N -4.64 4.31 0.19 1.29 0.02 -1.26 -4.75 135.00 130.16 1sg7 s PRO 30 Ca 0.67 2.23 -0.18 0.00 0.02 0.00 0.00 61.00 63.74 1sg7 s PRO 30 Cb -0.23 -3.13 0.17 0.00 0.02 0.00 0.00 34.50 31.33 1sg7 s PRO 30 CO 0.61 -0.36 1.61 1.05 -0.33 0.00 0.00 177.00 179.57 1sg7 h GLU 31 N 5.02 -0.10 0.00 5.54 4.11 -1.93 1.37 114.58 128.59 1sg7 h GLU 31 Ca -0.46 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1sg7 h GLU 31 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1sg7 h GLU 31 CO 0.77 -0.07 0.04 -1.13 0.07 0.00 0.00 179.01 178.69 1sg7 n SER 32 N -5.43 0.54 -0.10 3.06 3.41 -1.26 0.79 113.62 114.63 1sg7 n SER 32 Ca 0.05 0.74 -0.16 0.00 -0.26 0.00 0.00 58.87 59.25 1sg7 n SER 32 Cb 0.34 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.25 1.49 0.11 -3.33 0.31 0.43 -4.30 118.33 110.78 1sg7 n VAL 33 Ca -0.01 0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.35 1sg7 n VAL 33 Cb 0.07 -2.17 0.36 0.00 -0.91 0.00 0.00 33.84 31.19 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 0.26 -0.98 5.55 1.57 0.23 0.24 116.57 122.43 1sg7 h LYS 34 Ca -0.25 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1sg7 h LYS 34 Cb 1.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1sg7 h LYS 34 CO -0.15 0.43 0.04 1.58 -0.57 0.00 0.00 179.45 180.78 1sg7 n HIS 35 N -4.23 0.31 0.00 -1.35 -0.00 0.24 -3.49 115.22 106.69 1sg7 n HIS 35 Ca -0.01 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.79 1sg7 n HIS 35 Cb 0.30 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 1sg7 n HIS 35 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1sg7 n VAL 36 N 0.20 0.00 -2.69 3.57 0.24 -1.01 -4.93 118.33 113.71 1sg7 n VAL 36 Ca 0.05 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.93 1sg7 n VAL 36 Cb 0.51 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.36 4.39 0.00 1.34 1.02 0.80 -1.47 118.68 123.40 1sg7 s LEU 37 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 54.13 55.85 1sg7 s LEU 37 Cb 0.00 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.64 1sg7 s LEU 37 CO 0.00 -0.25 0.71 -2.65 0.02 0.00 0.00 176.35 174.18 1sg7 n PRO 38 N 3.77 0.00 0.00 1.29 -0.02 -1.26 -4.84 135.00 133.94 1sg7 n PRO 38 Ca 0.06 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1sg7 n PRO 38 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -1.32 0.00 0.03 2.55 3.41 -1.26 -4.91 113.62 112.13 1sg7 n SER 39 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1sg7 n SER 39 Cb 0.00 0.36 0.32 0.00 -0.26 0.00 0.00 64.21 64.63 1sg7 n SER 39 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1sg7 n HIS 40 N -2.35 0.19 0.19 7.33 -0.00 -1.26 -2.18 115.22 117.13 1sg7 n HIS 40 Ca 0.00 0.08 0.04 0.00 -0.00 0.00 0.00 57.72 57.84 1sg7 n HIS 40 Cb 0.00 -0.62 0.36 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 2.38 1.16 -0.17 1.57 0.00 -1.92 -1.11 119.26 121.18 1sg7 h ALA 41 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 1sg7 h ALA 41 Cb 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sg7 h ALA 41 CO 0.00 0.49 -0.74 1.96 0.00 0.00 0.00 179.25 180.96 1sg7 h GLN 42 N 0.00 0.77 -0.65 0.00 4.20 -1.79 1.09 115.11 118.74 1sg7 h GLN 42 Ca -0.00 -0.61 -0.06 0.00 0.06 0.00 0.00 58.65 58.04 1sg7 h GLN 42 Cb 0.79 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1sg7 h GLN 42 CO 0.05 1.22 0.17 0.22 -0.67 0.00 0.00 178.83 179.82 1sg7 h ASP 43 N 0.54 0.96 0.18 1.46 3.58 -1.60 0.59 116.42 122.12 1sg7 h ASP 43 Ca -0.04 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1sg7 h ASP 43 Cb 1.36 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1sg7 h ASP 43 CO 0.15 0.91 -0.09 0.40 -2.88 0.00 0.00 179.24 177.74 1sg7 h ILE 44 N 0.98 0.93 0.28 2.25 2.04 -0.99 0.19 117.51 123.20 1sg7 h ILE 44 Ca 0.21 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1sg7 h ILE 44 Cb 0.32 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1sg7 h ILE 44 CO -0.00 0.15 -0.52 0.22 0.00 0.00 0.00 178.15 178.00 1sg7 h TYR 45 N -0.58 -1.47 0.09 1.37 5.03 0.16 0.12 116.97 121.69 1sg7 h TYR 45 Ca -0.02 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1sg7 h TYR 45 Cb 0.43 0.61 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 1sg7 h TYR 45 CO 0.03 -0.63 -0.20 -0.22 -1.32 0.00 0.00 178.16 175.83 1sg7 h LYS 46 N -0.86 -0.35 -0.79 1.82 3.64 0.13 0.41 116.57 120.57 1sg7 h LYS 46 Ca -0.03 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1sg7 h LYS 46 Cb 0.81 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1sg7 h LYS 46 CO -0.19 -0.24 0.52 0.93 -2.27 0.00 0.00 179.45 178.20 1sg7 h GLU 47 N -0.37 0.80 -0.07 1.90 4.39 -0.82 0.31 114.58 120.73 1sg7 h GLU 47 Ca 0.03 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 1sg7 h GLU 47 Cb 0.39 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1sg7 h GLU 47 CO -0.12 0.53 -0.87 0.00 -1.16 0.00 0.00 179.01 177.39 1sg7 h ALA 48 N 1.58 0.34 0.15 3.43 0.00 -0.29 -2.72 119.26 121.74 1sg7 h ALA 48 Ca 0.35 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1sg7 h ALA 48 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sg7 h ALA 48 CO -0.13 0.73 -0.07 0.35 0.00 0.00 0.00 179.25 180.13 1sg7 h PHE 49 N 0.39 -0.19 -0.77 0.00 3.04 0.11 -2.45 116.94 117.07 1sg7 h PHE 49 Ca -0.07 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.98 1sg7 h PHE 49 Cb 1.49 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 39.99 1sg7 h PHE 49 CO 0.08 -0.04 0.40 -0.91 -2.02 0.00 0.00 178.31 175.82 1sg7 h ASN 50 N -0.30 0.53 -0.50 0.41 -0.26 -0.48 0.24 115.58 115.23 1sg7 h ASN 50 Ca -0.02 0.07 0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1sg7 h ASN 50 Cb 0.23 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.42 1sg7 h ASN 50 CO 0.03 0.28 0.21 -1.28 -1.06 0.00 0.00 177.43 175.62 1sg7 h SER 51 N 0.65 0.27 0.56 5.81 0.87 -1.25 0.36 113.55 120.81 1sg7 h SER 51 Ca 0.39 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 1sg7 h SER 51 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1sg7 h SER 51 CO -0.29 0.19 -0.42 0.00 -0.53 0.00 0.00 176.83 175.77 1sg7 h ALA 52 N 1.30 1.16 0.02 6.23 0.00 -0.77 0.18 119.26 127.37 1sg7 h ALA 52 Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sg7 h ALA 52 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sg7 h ALA 52 CO -0.20 0.53 -0.01 2.35 0.00 0.00 0.00 179.25 181.92 1sg7 h TRP 53 N 0.00 -0.02 -0.12 0.00 7.01 0.13 -1.22 115.95 121.73 1sg7 h TRP 53 Ca -0.00 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 1sg7 h TRP 53 Cb 0.82 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 1sg7 h TRP 53 CO 0.00 0.36 -0.48 0.22 -2.79 0.00 0.00 178.44 175.75 1sg7 h ASP 54 N -0.41 0.33 0.63 2.65 1.82 -0.27 -2.65 116.42 118.51 1sg7 h ASP 54 Ca -0.00 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.45 1sg7 h ASP 54 Cb 0.40 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 1sg7 h ASP 54 CO 0.00 0.76 -0.16 1.56 -1.61 0.00 0.00 179.24 179.79 1sg7 h GLN 55 N 0.25 0.00 -2.33 0.28 4.20 -0.59 -3.26 115.11 113.66 1sg7 h GLN 55 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 1sg7 h GLN 55 Cb 0.94 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 1sg7 h GLN 55 CO 0.08 0.16 0.06 0.98 -0.67 0.00 0.00 178.83 179.45 1sg7 n TYR 56 N -3.50 0.12 1.19 2.96 9.36 -0.47 -4.41 117.16 122.42 1sg7 n TYR 56 Ca -0.01 -1.20 0.11 0.00 3.32 0.00 0.00 57.90 60.12 1sg7 n TYR 56 Cb 0.32 -1.33 0.59 0.00 -0.63 0.00 0.00 39.34 38.29 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 2.72 0.51 0.09 2.98 4.76 -1.23 -0.30 118.16 127.69 1sg7 n LYS 57 Ca 0.34 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.75 1sg7 n LYS 57 Cb 0.65 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.07 0.00 4.39 1.82 -1.93 -3.42 116.42 117.35 1sg7 h ASP 58 Ca 0.00 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.53 1sg7 h ASP 58 Cb 0.09 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.03 1sg7 h ASP 58 CO 0.00 0.93 -0.02 1.17 -1.61 0.00 0.00 179.24 179.70 1sg7 n LYS 59 N -3.53 0.32 0.24 0.28 4.81 -1.10 -5.01 118.16 114.16 1sg7 n LYS 59 Ca -0.01 -0.40 -0.11 0.00 -0.87 0.00 0.00 58.31 56.92 1sg7 n LYS 59 Cb 0.84 0.08 -0.05 0.00 0.02 0.00 0.00 35.03 35.91 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 0.45 -0.64 -0.62 1.64 4.11 -0.92 -3.32 114.58 115.28 1sg7 h GLU 60 Ca -0.20 0.04 -0.35 0.00 0.07 0.00 0.00 59.36 58.93 1sg7 h GLU 60 Cb 1.11 0.15 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 1sg7 h GLU 60 CO -0.08 -0.40 0.17 -0.40 0.07 0.00 0.00 179.01 178.37 1sg7 n ASP 61 N -5.22 3.41 0.00 3.06 5.75 -1.26 -4.01 116.55 118.28 1sg7 n ASP 61 Ca -0.09 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1sg7 n ASP 61 Cb 0.28 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1sg7 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sg7 n ARG 62 N -1.09 0.00 -0.13 0.11 5.12 -1.26 -4.99 116.66 114.42 1sg7 n ARG 62 Ca 0.44 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.10 1sg7 n ARG 62 Cb 1.19 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 32.39 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 0.60 -1.80 5.56 0.00 -1.26 -4.55 116.66 115.21 1sg7 n ARG 63 Ca 0.00 0.29 -0.34 0.00 -0.00 0.00 0.00 57.85 57.80 1sg7 n ARG 63 Cb 0.00 -1.55 -0.02 0.00 -0.00 0.00 0.00 32.46 30.89 1sg7 n ARG 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1sg7 n ASP 64 N -4.07 7.17 0.19 2.89 -0.08 -1.26 -4.68 116.55 116.71 1sg7 n ASP 64 Ca -0.49 -3.31 0.12 0.00 -1.51 0.00 0.00 54.79 49.60 1sg7 n ASP 64 Cb 0.88 -1.25 0.67 0.00 2.34 0.00 0.00 41.12 43.76 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 3.60 0.00 -0.32 1.67 5.19 -1.70 -2.23 116.42 122.64 1sg7 h ASP 65 Ca 0.52 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.95 1sg7 h ASP 65 Cb 0.47 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1sg7 h ASP 65 CO 1.16 0.00 0.17 0.00 -3.12 0.00 0.00 179.24 177.45 1sg7 h ALA 66 N 1.92 0.40 -0.78 3.45 0.00 -1.84 -2.13 119.26 120.28 1sg7 h ALA 66 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1sg7 h ALA 66 Cb 0.28 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1sg7 h ALA 66 CO -0.00 -0.20 0.22 1.03 0.00 0.00 0.00 179.25 180.30 1sg7 h SER 67 N 0.36 0.08 0.51 0.00 0.87 -1.73 0.92 113.55 114.55 1sg7 h SER 67 Ca 0.13 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1sg7 h SER 67 Cb 0.03 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1sg7 h SER 67 CO -0.08 -0.03 -0.39 -0.09 -0.53 0.00 0.00 176.83 175.71 1sg7 h ARG 68 N 0.30 -0.83 -0.54 2.24 1.12 -1.46 0.58 114.38 115.78 1sg7 h ARG 68 Ca 0.45 0.06 0.11 0.00 -1.11 0.00 0.00 59.98 59.48 1sg7 h ARG 68 Cb 0.79 0.19 -0.11 0.00 -0.01 0.00 0.00 29.97 30.83 1sg7 h ARG 68 CO -0.52 -0.55 -0.22 1.49 -3.11 0.00 0.00 179.97 177.05 1sg7 h GLU 69 N -0.86 -0.09 -0.02 0.20 4.81 -0.65 0.47 114.58 118.44 1sg7 h GLU 69 Ca -0.07 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1sg7 h GLU 69 Cb 0.72 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1sg7 h GLU 69 CO 0.02 -0.06 -0.35 1.49 -0.73 0.00 0.00 179.01 179.38 1sg7 h GLU 70 N -0.09 -0.41 -0.56 1.92 4.57 0.12 0.14 114.58 120.28 1sg7 h GLU 70 Ca 0.25 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.57 1sg7 h GLU 70 Cb 0.48 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.07 1sg7 h GLU 70 CO -0.61 -0.27 0.01 1.15 -1.18 0.00 0.00 179.01 178.11 1sg7 h THR 71 N -0.42 0.56 -0.63 0.32 2.02 0.11 0.71 112.91 115.57 1sg7 h THR 71 Ca 0.01 -0.04 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1sg7 h THR 71 Cb 0.46 0.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 1sg7 h THR 71 CO -0.25 0.02 0.16 0.00 0.37 0.00 0.00 175.52 175.83 1sg7 h ALA 72 N 1.50 0.78 -0.44 6.16 0.00 0.68 0.58 119.26 128.52 1sg7 h ALA 72 Ca 0.29 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1sg7 h ALA 72 Cb 0.45 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1sg7 h ALA 72 CO -0.47 -0.29 0.07 0.45 0.00 0.00 0.00 179.25 179.02 1sg7 h HIS 73 N 0.29 0.11 -0.22 0.00 -0.00 0.15 0.69 115.15 116.17 1sg7 h HIS 73 Ca 0.33 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.75 1sg7 h HIS 73 Cb 0.50 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1sg7 h HIS 73 CO -0.23 -0.01 0.09 0.87 -0.00 0.00 0.00 177.93 178.64 1sg7 h LYS 74 N 0.20 0.19 0.63 2.45 1.57 0.74 -0.92 116.57 121.42 1sg7 h LYS 74 Ca 0.22 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1sg7 h LYS 74 Cb 0.28 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1sg7 h LYS 74 CO -0.30 0.13 -0.30 0.28 -0.57 0.00 0.00 179.45 178.69 1sg7 h VAL 75 N 0.20 0.24 -0.80 0.50 2.07 0.82 -2.02 116.25 117.26 1sg7 h VAL 75 Ca 0.09 -0.29 0.19 0.00 0.82 0.00 0.00 66.70 67.51 1sg7 h VAL 75 Cb 0.05 0.31 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 1sg7 h VAL 75 CO -0.09 0.03 0.03 0.00 0.02 0.00 0.00 177.57 177.57 1sg7 h ALA 76 N -0.87 0.89 -0.82 1.67 0.00 0.41 0.62 119.26 121.15 1sg7 h ALA 76 Ca -0.09 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1sg7 h ALA 76 Cb 0.69 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1sg7 h ALA 76 CO 0.14 -0.44 0.55 -1.49 0.00 0.00 0.00 179.25 178.01 1sg7 h TRP 77 N 0.11 1.04 -0.69 0.00 4.06 -1.13 -0.51 115.95 118.83 1sg7 h TRP 77 Ca 0.45 0.02 0.14 0.00 2.06 0.00 0.00 58.89 61.56 1sg7 h TRP 77 Cb 0.82 -0.35 -0.10 0.00 -1.00 0.00 0.00 29.16 28.53 1sg7 h TRP 77 CO -0.42 0.65 0.18 0.00 -3.56 0.00 0.00 178.44 175.29 1sg7 h ALA 78 N 1.30 0.88 -0.32 1.49 0.00 1.00 1.33 119.26 124.94 1sg7 h ALA 78 Ca 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1sg7 h ALA 78 Cb -0.13 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sg7 h ALA 78 CO -0.07 -0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.03 1sg7 h ALA 79 N 1.55 0.42 0.02 0.00 0.00 -0.45 -1.19 119.26 119.61 1sg7 h ALA 79 Ca 0.38 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sg7 h ALA 79 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sg7 h ALA 79 CO -0.45 -0.01 -0.06 0.28 0.00 0.00 0.00 179.25 179.00 1sg7 h VAL 80 N 0.38 0.84 0.00 0.00 2.07 0.95 0.81 116.25 121.30 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 0.14 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 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 -0.12 0.00 0.00 1.57 1.57 0.18 2.88 116.57 122.64 1sg7 h LYS 81 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1sg7 h LYS 81 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1sg7 h LYS 81 CO -0.05 0.00 -0.52 1.25 -0.57 0.00 0.00 179.45 179.56 1sg7 h HIS 82 N 0.00 0.00 0.00 -1.35 2.76 0.09 -3.37 115.15 113.28 1sg7 h HIS 82 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1sg7 h HIS 82 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1sg7 h HIS 82 CO 0.00 1.20 -0.77 0.39 -1.30 0.00 0.00 177.93 177.44 1sg7 n GLU 83 N -4.54 0.20 -4.14 5.26 1.02 0.14 -4.40 120.64 114.18 1sg7 n GLU 83 Ca -0.19 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.82 1sg7 n GLU 83 Cb 0.56 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.13 0.80 0.07 -0.32 1.51 0.96 0.27 117.35 117.51 1sg7 s TYR 84 Ca 0.07 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.82 1sg7 s TYR 84 Cb 0.15 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1sg7 s TYR 84 CO 0.75 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 174.93 1sg7 s ALA 85 N -1.04 1.98 -0.18 3.71 0.00 0.42 -3.52 121.76 123.12 1sg7 s ALA 85 Ca -0.05 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 1sg7 s ALA 85 Cb -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1sg7 s ALA 85 CO 0.01 0.44 0.58 0.21 0.00 0.00 0.00 175.76 176.99 1sg7 s LYS 86 N -1.50 4.23 0.00 0.00 2.20 -1.26 0.17 119.74 123.57 1sg7 s LYS 86 Ca 0.09 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1sg7 s LYS 86 Cb -0.10 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1sg7 s LYS 86 CO 0.03 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1sg7 n GLY 87 N 3.74 -1.56 0.79 5.54 0.00 -0.28 -4.80 105.19 108.62 1sg7 n GLY 87 Ca -0.03 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.31 0.76 0.00 1.61 5.68 -1.26 -4.62 116.55 116.41 1sg7 n ASP 88 Ca 0.00 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 1sg7 n ASP 88 Cb 0.00 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 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 0.61 0.00 -2.15 -1.12 8.00 -1.26 -5.04 116.55 115.59 1sg7 n ASP 89 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1sg7 n ASP 89 Cb 0.14 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.35 1sg7 n ASP 89 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sg7 n ASP 90 N 0.00 5.79 -4.36 -2.24 8.00 -1.26 -4.94 116.55 117.54 1sg7 n ASP 90 Ca 0.00 -3.74 -0.21 0.00 0.71 0.00 0.00 54.79 51.55 1sg7 n ASP 90 Cb 0.00 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 40.16 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 -3.60 1.35 0.22 -1.24 1.02 -1.26 -4.74 119.74 111.49 1sg7 s LYS 91 Ca 0.59 -1.52 0.11 0.00 0.02 0.00 0.00 55.97 55.17 1sg7 s LYS 91 Cb 0.48 -1.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1sg7 s LYS 91 CO 0.03 0.25 -0.20 -1.58 -0.92 0.00 0.00 175.35 172.93 1sg7 s TRP 92 N -2.44 2.35 -0.01 3.18 0.52 -0.54 -1.13 118.94 120.88 1sg7 s TRP 92 Ca 0.20 -0.33 -0.00 0.00 0.02 0.00 0.00 56.10 55.99 1sg7 s TRP 92 Cb -0.04 -1.11 0.01 0.00 -1.15 0.00 0.00 33.47 31.18 1sg7 s TRP 92 CO 0.08 0.58 0.02 -3.38 0.02 0.00 0.00 176.95 174.27 1sg7 s HIS 93 N -1.98 -0.01 0.00 -1.98 -3.43 0.44 -4.10 115.29 104.24 1sg7 s HIS 93 Ca 0.25 0.08 -0.34 0.00 -0.80 0.00 0.00 55.06 54.24 1sg7 s HIS 93 Cb -0.07 -0.07 -0.13 0.00 -1.43 0.00 0.00 32.58 30.88 1sg7 s HIS 93 CO 0.13 -0.04 1.75 1.17 -2.00 0.00 0.00 174.74 175.75 1sg7 n LYS 94 N 3.45 2.13 0.03 -0.38 4.81 -1.26 0.16 118.16 127.09 1sg7 n LYS 94 Ca -0.17 0.77 -0.14 0.00 -0.87 0.00 0.00 58.31 57.90 1sg7 n LYS 94 Cb 0.57 -2.58 -0.14 0.00 0.02 0.00 0.00 35.03 32.89 1sg7 n LYS 94 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1sg7 h LYS 95 N 7.86 0.16 -0.03 1.64 1.79 0.34 -3.45 116.57 124.89 1sg7 h LYS 95 Ca -0.47 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 57.73 1sg7 h LYS 95 Cb 1.27 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1sg7 h LYS 95 CO 0.92 0.93 0.00 0.45 -1.08 0.00 0.00 179.45 180.68