#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 2.47 0.00 6.00 2.02 -1.26 -5.05 117.35 121.53 1sg7 s TYR 23 Ca 0.00 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1sg7 s TYR 23 Cb 0.00 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 1sg7 s TYR 23 CO 0.00 0.28 0.00 1.17 -1.57 0.00 0.00 175.55 175.43 1sg7 n LYS 24 N 1.29 0.00 -3.41 -0.62 3.00 -1.26 -5.01 118.16 112.14 1sg7 n LYS 24 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.89 1sg7 n LYS 24 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.53 1sg7 n LYS 24 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1sg7 s THR 25 N -0.66 5.10 0.38 3.15 -4.23 -1.26 -4.97 115.64 113.14 1sg7 s THR 25 Ca 0.00 -0.31 0.11 0.00 -1.18 0.00 0.00 61.69 60.31 1sg7 s THR 25 Cb 0.00 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.36 1sg7 s THR 25 CO 0.00 -0.44 1.89 0.11 -0.54 0.00 0.00 174.62 175.64 1sg7 h LYS 26 N 1.19 0.59 0.00 3.99 1.57 -1.99 0.52 116.57 122.45 1sg7 h LYS 26 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1sg7 h LYS 26 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1sg7 h LYS 26 CO 0.64 0.39 0.00 0.43 -0.57 0.00 0.00 179.45 180.34 1sg7 n SER 27 N -4.53 0.00 -0.14 0.86 7.64 -1.26 -1.79 113.62 114.40 1sg7 n SER 27 Ca 0.16 0.03 0.12 0.00 1.01 0.00 0.00 58.87 60.19 1sg7 n SER 27 Cb 0.47 -0.22 0.30 0.00 -1.01 0.00 0.00 64.21 63.75 1sg7 n SER 27 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sg7 n ASP 28 N -1.22 0.82 -4.71 6.43 9.92 0.18 -4.94 116.55 123.03 1sg7 n ASP 28 Ca 0.06 -0.64 -0.29 0.00 -0.53 0.00 0.00 54.79 53.39 1sg7 n ASP 28 Cb 0.08 0.21 0.15 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.72 2.03 0.37 0.64 1.43 -0.74 -4.89 118.68 114.79 1sg7 s LEU 29 Ca 0.18 1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 54.34 1sg7 s LEU 29 Cb 0.18 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 1sg7 s LEU 29 CO 0.60 -2.76 1.32 -2.84 0.23 0.00 0.00 176.35 172.90 1sg7 s PRO 30 N -4.99 4.16 0.21 1.29 0.02 -1.26 -4.76 135.00 129.68 1sg7 s PRO 30 Ca 0.64 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.78 1sg7 s PRO 30 Cb -0.18 -2.92 0.29 0.00 0.02 0.00 0.00 34.50 31.71 1sg7 s PRO 30 CO 0.57 -0.35 1.76 1.05 -0.33 0.00 0.00 177.00 179.70 1sg7 h GLU 31 N 3.03 0.47 0.00 5.54 9.09 -1.97 0.65 114.58 131.40 1sg7 h GLU 31 Ca -0.49 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1sg7 h GLU 31 Cb 1.24 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1sg7 h GLU 31 CO 0.64 0.31 0.00 -1.13 0.05 0.00 0.00 179.01 178.88 1sg7 n SER 32 N -4.94 0.00 -0.12 3.06 3.41 -1.26 0.51 113.62 114.28 1sg7 n SER 32 Ca 0.09 0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 1sg7 n SER 32 Cb 0.26 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.50 1.52 0.20 -3.33 0.31 0.17 -4.40 118.33 111.30 1sg7 n VAL 33 Ca 0.02 -0.19 0.04 0.00 -0.01 0.00 0.00 64.34 64.20 1sg7 n VAL 33 Cb 0.09 -2.04 0.43 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.97 5.55 1.57 0.16 0.63 116.57 122.52 1sg7 h LYS 34 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1sg7 h LYS 34 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1sg7 h LYS 34 CO -0.28 0.29 0.02 0.72 -0.57 0.00 0.00 179.45 179.64 1sg7 n HIS 35 N -4.13 0.26 0.00 -1.35 8.25 0.18 -3.63 115.22 114.81 1sg7 n HIS 35 Ca -0.02 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1sg7 n HIS 35 Cb 0.34 -0.19 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 0.13 0.00 -3.46 1.59 0.24 -0.92 -4.88 118.33 111.04 1sg7 n VAL 36 Ca 0.04 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.97 1sg7 n VAL 36 Cb 0.43 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.79 4.23 0.00 1.34 1.02 0.22 0.14 118.68 124.84 1sg7 s LEU 37 Ca 0.00 0.57 -0.20 0.00 0.02 0.00 0.00 54.13 54.52 1sg7 s LEU 37 Cb 0.00 -2.47 0.31 0.00 0.02 0.00 0.00 46.19 44.06 1sg7 s LEU 37 CO 0.00 0.04 0.75 -2.65 0.02 0.00 0.00 176.35 174.51 1sg7 n PRO 38 N 3.77 -4.27 0.00 1.29 -0.02 -1.26 -4.69 135.00 129.82 1sg7 n PRO 38 Ca -0.10 -1.25 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1sg7 n PRO 38 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 -5.30 0.00 0.23 2.55 2.88 -1.26 -2.68 113.62 110.04 1sg7 n SER 39 Ca 0.12 0.70 0.14 0.00 -1.33 0.00 0.00 58.87 58.50 1sg7 n SER 39 Cb 0.50 -0.20 0.75 0.00 -0.75 0.00 0.00 64.21 64.52 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 -0.21 0.66 -0.00 -2.01 -1.86 115.15 111.73 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 -0.06 0.00 -0.50 0.00 -0.00 0.00 0.00 177.93 177.36 1sg7 h ALA 41 N 1.81 0.73 -0.54 5.26 0.00 -1.84 -2.08 119.26 122.60 1sg7 h ALA 41 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1sg7 h ALA 41 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sg7 h ALA 41 CO 0.00 0.68 -0.13 1.96 0.00 0.00 0.00 179.25 181.75 1sg7 h GLN 42 N 0.45 1.04 -0.88 0.00 4.20 -1.13 0.95 115.11 119.74 1sg7 h GLN 42 Ca 0.02 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1sg7 h GLN 42 Cb 1.04 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 1sg7 h GLN 42 CO 0.10 1.09 0.51 0.22 -0.67 0.00 0.00 178.83 180.08 1sg7 h ASP 43 N 0.92 1.07 0.42 1.46 1.82 -1.58 1.02 116.42 121.54 1sg7 h ASP 43 Ca 0.14 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1sg7 h ASP 43 Cb 0.71 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1sg7 h ASP 43 CO 0.05 0.83 -0.20 0.40 -1.61 0.00 0.00 179.24 178.71 1sg7 h ILE 44 N 1.22 0.52 -0.95 2.25 2.04 -0.79 0.35 117.51 122.14 1sg7 h ILE 44 Ca 0.31 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.83 1sg7 h ILE 44 Cb -0.03 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 1sg7 h ILE 44 CO -0.06 0.08 0.59 0.22 0.00 0.00 0.00 178.15 178.97 1sg7 h TYR 45 N -0.85 1.06 0.11 1.37 5.03 0.13 0.39 116.97 124.21 1sg7 h TYR 45 Ca -0.06 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1sg7 h TYR 45 Cb 0.55 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1sg7 h TYR 45 CO 0.01 0.42 -0.05 -0.22 -1.32 0.00 0.00 178.16 177.00 1sg7 h LYS 46 N 0.94 -0.14 -0.74 1.82 3.64 0.12 -0.64 116.57 121.55 1sg7 h LYS 46 Ca 0.47 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 1sg7 h LYS 46 Cb 0.46 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1sg7 h LYS 46 CO -0.26 0.34 0.41 0.93 -2.27 0.00 0.00 179.45 178.60 1sg7 h GLU 47 N -0.75 1.02 -0.21 1.90 4.39 -0.01 0.24 114.58 121.17 1sg7 h GLU 47 Ca -0.02 -0.11 -0.19 0.00 0.34 0.00 0.00 59.36 59.38 1sg7 h GLU 47 Cb 0.55 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1sg7 h GLU 47 CO 0.02 0.74 -0.63 0.00 -1.16 0.00 0.00 179.01 177.99 1sg7 h ALA 48 N 1.42 0.35 -0.12 3.43 0.00 -0.30 -2.21 119.26 121.84 1sg7 h ALA 48 Ca 0.26 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sg7 h ALA 48 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1sg7 h ALA 48 CO -0.04 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.22 1sg7 h PHE 49 N 0.53 0.07 -0.96 0.00 3.04 -0.65 -2.16 116.94 116.81 1sg7 h PHE 49 Ca -0.02 0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1sg7 h PHE 49 Cb 1.25 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.69 1sg7 h PHE 49 CO 0.08 0.04 0.63 -0.91 -2.02 0.00 0.00 178.31 176.14 1sg7 h ASN 50 N 0.10 1.05 -0.61 0.41 -0.26 -0.95 -1.85 115.58 113.46 1sg7 h ASN 50 Ca 0.05 -0.01 0.07 0.00 -0.56 0.00 0.00 56.30 55.85 1sg7 h ASN 50 Cb 0.03 -0.24 -0.06 0.00 -1.06 0.00 0.00 38.32 36.99 1sg7 h ASN 50 CO -0.05 0.71 0.30 -1.28 -1.06 0.00 0.00 177.43 176.05 1sg7 h SER 51 N 1.21 0.41 0.13 5.81 0.87 -0.77 -1.07 113.55 120.14 1sg7 h SER 51 Ca 0.39 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.89 1sg7 h SER 51 Cb 0.02 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1sg7 h SER 51 CO -0.12 0.26 -0.37 0.00 -0.53 0.00 0.00 176.83 176.07 1sg7 h ALA 52 N 1.35 1.09 -0.37 6.23 0.00 -0.96 -1.89 119.26 124.71 1sg7 h ALA 52 Ca 0.29 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sg7 h ALA 52 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sg7 h ALA 52 CO -0.22 0.58 0.19 2.35 0.00 0.00 0.00 179.25 182.15 1sg7 h TRP 53 N 0.28 0.35 -0.49 0.00 7.01 -0.44 0.25 115.95 122.91 1sg7 h TRP 53 Ca 0.03 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 1sg7 h TRP 53 Cb 0.78 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 1sg7 h TRP 53 CO 0.02 0.19 0.03 0.22 -2.79 0.00 0.00 178.44 176.11 1sg7 h ASP 54 N 0.39 0.75 0.51 2.65 1.82 -1.03 -2.11 116.42 119.40 1sg7 h ASP 54 Ca 0.16 -0.17 -0.08 0.00 -0.39 0.00 0.00 57.03 56.55 1sg7 h ASP 54 Cb 0.06 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1sg7 h ASP 54 CO -0.10 0.79 -0.37 1.56 -1.61 0.00 0.00 179.24 179.52 1sg7 h GLN 55 N 0.74 0.00 -2.84 0.28 4.20 -0.49 -3.28 115.11 113.71 1sg7 h GLN 55 Ca 0.15 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.53 1sg7 h GLN 55 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1sg7 h GLN 55 CO 0.01 0.37 1.66 0.98 -0.67 0.00 0.00 178.83 181.18 1sg7 n TYR 56 N -3.86 0.98 1.94 2.96 9.36 0.78 -4.45 117.16 124.87 1sg7 n TYR 56 Ca -0.01 -1.80 0.11 0.00 3.32 0.00 0.00 57.90 59.52 1sg7 n TYR 56 Cb 0.43 -1.66 0.68 0.00 -0.63 0.00 0.00 39.34 38.16 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 0.97 -0.07 2.98 4.76 -1.24 -2.17 118.16 126.78 1sg7 n LYS 57 Ca 0.45 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.76 1sg7 n LYS 57 Cb 0.38 -1.37 -0.12 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 -0.00 -0.01 4.39 1.82 -1.93 -3.44 116.42 117.25 1sg7 h ASP 58 Ca 0.00 -0.94 -0.21 0.00 -0.39 0.00 0.00 57.03 55.49 1sg7 h ASP 58 Cb 0.00 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 39.86 1sg7 h ASP 58 CO 0.00 0.96 -0.34 1.17 -1.61 0.00 0.00 179.24 179.42 1sg7 n LYS 59 N -4.63 1.23 0.20 0.28 3.00 -1.24 -4.99 118.16 112.01 1sg7 n LYS 59 Ca -0.09 -1.73 -0.10 0.00 -0.00 0.00 0.00 58.31 56.38 1sg7 n LYS 59 Cb 0.45 0.03 -0.05 0.00 0.00 0.00 0.00 35.03 35.45 1sg7 n LYS 59 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1sg7 h GLU 60 N 1.85 -0.55 -0.72 1.64 4.11 -1.72 -3.34 114.58 115.85 1sg7 h GLU 60 Ca -0.31 0.04 -0.45 0.00 0.07 0.00 0.00 59.36 58.72 1sg7 h GLU 60 Cb 1.30 0.12 -0.25 0.00 0.50 0.00 0.00 28.75 30.42 1sg7 h GLU 60 CO -0.09 -0.32 0.17 -0.40 0.07 0.00 0.00 179.01 178.45 1sg7 n ASP 61 N -5.16 4.52 0.00 3.06 5.75 -1.26 -3.90 116.55 119.55 1sg7 n ASP 61 Ca -0.08 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1sg7 n ASP 61 Cb 0.25 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.00 0.00 -0.12 0.11 5.12 -1.26 -5.00 116.66 114.50 1sg7 n ARG 62 Ca 0.48 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.14 1sg7 n ARG 62 Cb 1.05 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 32.24 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 0.61 -2.52 5.56 1.85 -1.26 -4.62 116.66 116.28 1sg7 n ARG 63 Ca 0.00 0.30 -0.41 0.00 -1.00 0.00 0.00 57.85 56.74 1sg7 n ARG 63 Cb 0.00 -1.55 0.01 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 -4.05 7.39 0.17 2.89 -0.08 -1.26 -4.74 116.55 116.86 1sg7 n ASP 64 Ca -0.48 -3.53 0.06 0.00 -1.51 0.00 0.00 54.79 49.33 1sg7 n ASP 64 Cb 0.88 -1.23 0.52 0.00 2.34 0.00 0.00 41.12 43.64 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 4.44 0.16 -0.06 1.67 5.19 -1.69 -2.77 116.42 123.36 1sg7 h ASP 65 Ca 0.54 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.95 1sg7 h ASP 65 Cb 0.35 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1sg7 h ASP 65 CO 1.27 0.18 -0.00 0.00 -3.12 0.00 0.00 179.24 177.57 1sg7 h ALA 66 N 1.85 0.05 -0.90 3.45 0.00 -1.85 -1.64 119.26 120.22 1sg7 h ALA 66 Ca 0.04 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1sg7 h ALA 66 Cb 0.09 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1sg7 h ALA 66 CO -0.00 -0.48 0.44 1.03 0.00 0.00 0.00 179.25 180.24 1sg7 h SER 67 N 0.02 0.45 0.77 0.00 0.87 -1.84 1.03 113.55 114.85 1sg7 h SER 67 Ca 0.03 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1sg7 h SER 67 Cb 0.04 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1sg7 h SER 67 CO -0.05 0.09 -0.42 -0.09 -0.53 0.00 0.00 176.83 175.82 1sg7 h ARG 68 N 0.50 -1.06 -0.52 2.24 1.12 -1.43 0.36 114.38 115.59 1sg7 h ARG 68 Ca 0.54 0.07 0.10 0.00 -1.11 0.00 0.00 59.98 59.59 1sg7 h ARG 68 Cb 0.95 0.24 -0.10 0.00 -0.01 0.00 0.00 29.97 31.05 1sg7 h ARG 68 CO -0.47 -0.71 -0.13 1.49 -3.11 0.00 0.00 179.97 177.05 1sg7 h GLU 69 N -1.10 0.00 0.06 0.20 4.81 0.01 0.54 114.58 119.09 1sg7 h GLU 69 Ca -0.10 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1sg7 h GLU 69 Cb 0.87 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1sg7 h GLU 69 CO 0.14 0.00 -0.40 1.49 -0.73 0.00 0.00 179.01 179.50 1sg7 h GLU 70 N 0.00 -0.53 -0.29 1.92 4.57 0.14 0.32 114.58 120.71 1sg7 h GLU 70 Ca 0.25 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.53 1sg7 h GLU 70 Cb 0.38 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 1sg7 h GLU 70 CO -0.53 -0.35 -0.17 1.15 -1.18 0.00 0.00 179.01 177.92 1sg7 h THR 71 N -0.55 0.50 -0.69 0.32 2.02 0.61 0.24 112.91 115.36 1sg7 h THR 71 Ca -0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1sg7 h THR 71 Cb 0.57 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.37 1sg7 h THR 71 CO -0.24 0.00 0.15 0.00 0.37 0.00 0.00 175.52 175.80 1sg7 h ALA 72 N 1.04 0.85 -0.12 6.16 0.00 0.52 0.82 119.26 128.53 1sg7 h ALA 72 Ca 0.15 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1sg7 h ALA 72 Cb 0.38 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1sg7 h ALA 72 CO -0.38 -0.33 -0.05 0.45 0.00 0.00 0.00 179.25 178.95 1sg7 h HIS 73 N 0.26 -0.11 -1.00 0.00 -0.00 0.14 0.57 115.15 115.01 1sg7 h HIS 73 Ca 0.38 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.85 1sg7 h HIS 73 Cb 0.62 0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 28.02 1sg7 h HIS 73 CO -0.27 -0.08 0.64 0.87 -0.00 0.00 0.00 177.93 179.09 1sg7 h LYS 74 N -0.03 1.07 0.18 2.45 1.57 0.28 -0.83 116.57 121.26 1sg7 h LYS 74 Ca 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1sg7 h LYS 74 Cb 0.13 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1sg7 h LYS 74 CO -0.14 0.71 -0.09 0.28 -0.57 0.00 0.00 179.45 179.64 1sg7 h VAL 75 N 1.10 0.83 -0.77 0.50 2.07 0.13 -2.87 116.25 117.25 1sg7 h VAL 75 Ca 0.45 -1.03 0.18 0.00 0.82 0.00 0.00 66.70 67.12 1sg7 h VAL 75 Cb 0.29 1.37 -0.12 0.00 -1.52 0.00 0.00 31.29 31.30 1sg7 h VAL 75 CO -0.20 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.71 1sg7 h ALA 76 N -0.26 0.95 -0.53 1.67 0.00 0.38 0.30 119.26 121.77 1sg7 h ALA 76 Ca -0.03 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sg7 h ALA 76 Cb 0.52 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1sg7 h ALA 76 CO 0.04 -0.40 0.28 -1.49 0.00 0.00 0.00 179.25 177.68 1sg7 h TRP 77 N 0.19 0.51 -1.00 0.00 4.06 -1.20 0.61 115.95 119.11 1sg7 h TRP 77 Ca 0.44 0.02 0.21 0.00 2.06 0.00 0.00 58.89 61.62 1sg7 h TRP 77 Cb 0.79 -0.15 -0.11 0.00 -1.00 0.00 0.00 29.16 28.69 1sg7 h TRP 77 CO -0.32 0.25 0.60 0.00 -3.56 0.00 0.00 178.44 175.41 1sg7 h ALA 78 N 1.28 1.71 -0.21 1.49 0.00 -0.17 1.51 119.26 124.86 1sg7 h ALA 78 Ca 0.23 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1sg7 h ALA 78 Cb 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sg7 h ALA 78 CO -0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 179.25 178.79 1sg7 h ALA 79 N 1.68 0.31 -0.23 0.00 0.00 -0.58 -2.01 119.26 118.43 1sg7 h ALA 79 Ca 0.60 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1sg7 h ALA 79 Cb 1.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1sg7 h ALA 79 CO -0.42 0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.46 1sg7 h VAL 80 N 0.18 1.09 0.00 0.00 2.07 0.18 -0.54 116.25 119.23 1sg7 h VAL 80 Ca 0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1sg7 h VAL 80 Cb 0.70 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sg7 h VAL 80 CO 0.04 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1sg7 n LYS 81 N -4.89 0.11 -0.01 1.57 5.02 0.48 0.28 118.16 120.71 1sg7 n LYS 81 Ca -0.03 0.40 -0.21 0.00 -2.02 0.00 0.00 58.31 56.45 1sg7 n LYS 81 Cb 0.05 -1.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.20 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 0.35 0.00 2.13 2.76 -0.45 -3.38 115.15 116.55 1sg7 h HIS 82 Ca 0.00 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1sg7 h HIS 82 Cb 0.25 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1sg7 h HIS 82 CO 0.00 1.52 -1.29 0.39 -1.30 0.00 0.00 177.93 177.25 1sg7 n GLU 83 N -4.02 0.20 -4.15 5.26 1.02 -0.33 -4.10 120.64 114.52 1sg7 n GLU 83 Ca -0.25 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.67 1sg7 n GLU 83 Cb 0.85 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.80 0.09 -0.32 1.51 0.81 0.30 117.35 117.38 1sg7 s TYR 84 Ca 0.03 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1sg7 s TYR 84 Cb 0.15 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1sg7 s TYR 84 CO 0.88 -0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 175.05 1sg7 s ALA 85 N -1.03 2.02 -0.29 3.71 0.00 0.27 -3.57 121.76 122.87 1sg7 s ALA 85 Ca -0.05 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1sg7 s ALA 85 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1sg7 s ALA 85 CO 0.01 0.44 0.18 0.21 0.00 0.00 0.00 175.76 176.60 1sg7 s LYS 86 N -1.72 3.85 0.00 0.00 2.20 -1.26 0.89 119.74 123.70 1sg7 s LYS 86 Ca 0.10 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1sg7 s LYS 86 Cb -0.10 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1sg7 s LYS 86 CO 0.04 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1sg7 n GLY 87 N 5.05 -1.33 1.99 5.54 0.00 -0.09 -4.91 105.19 111.45 1sg7 n GLY 87 Ca -0.14 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.68 6.19 0.00 1.61 5.68 -1.26 -3.86 116.55 124.23 1sg7 n ASP 88 Ca 0.00 -3.26 0.00 0.00 -0.50 0.00 0.00 54.79 51.03 1sg7 n ASP 88 Cb 0.00 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.01 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 -0.19 0.38 -1.73 -1.12 9.92 -1.26 -4.99 116.55 117.55 1sg7 n ASP 89 Ca 0.41 -1.18 -0.13 0.00 -0.53 0.00 0.00 54.79 53.36 1sg7 n ASP 89 Cb 0.74 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.24 1sg7 n ASP 89 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1sg7 n ASP 90 N -0.09 -4.14 -4.22 -2.24 2.03 -1.25 -5.02 116.55 101.62 1sg7 n ASP 90 Ca 0.00 -0.12 -0.13 0.00 0.52 0.00 0.00 54.79 55.06 1sg7 n ASP 90 Cb 0.43 -3.11 -0.10 0.00 -0.72 0.00 0.00 41.12 37.62 1sg7 n ASP 90 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1sg7 s LYS 91 N -5.04 0.99 0.21 -0.67 1.02 -1.26 -4.66 119.74 110.32 1sg7 s LYS 91 Ca 0.13 -1.42 0.11 0.00 0.02 0.00 0.00 55.97 54.80 1sg7 s LYS 91 Cb -0.06 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 1sg7 s LYS 91 CO 0.16 0.02 -0.17 -1.58 -0.92 0.00 0.00 175.35 172.86 1sg7 s TRP 92 N -3.46 2.43 -0.01 3.18 0.52 0.36 -0.91 118.94 121.05 1sg7 s TRP 92 Ca 0.16 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 1sg7 s TRP 92 Cb 0.04 -1.17 0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1sg7 s TRP 92 CO -0.01 0.54 0.03 -3.38 0.02 0.00 0.00 176.95 174.15 1sg7 s HIS 93 N -1.85 -0.02 0.01 -1.98 -3.43 0.26 -4.20 115.29 104.08 1sg7 s HIS 93 Ca 0.24 0.09 -0.32 0.00 -0.80 0.00 0.00 55.06 54.27 1sg7 s HIS 93 Cb -0.08 -0.04 -0.11 0.00 -1.43 0.00 0.00 32.58 30.93 1sg7 s HIS 93 CO 0.13 -0.03 1.89 1.17 -2.00 0.00 0.00 174.74 175.90 1sg7 n LYS 94 N 3.30 2.53 0.00 -0.38 4.81 -1.26 0.94 118.16 128.11 1sg7 n LYS 94 Ca -0.15 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1sg7 n LYS 94 Cb 0.58 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 6.58 0.00 0.00 1.64 4.76 0.87 -4.81 118.16 127.21 1sg7 n LYS 95 Ca 0.21 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.80 1sg7 n LYS 95 Cb 0.35 -0.44 0.93 0.00 -1.84 0.00 0.00 35.03 34.03 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48