#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 2.55 -0.05 6.00 2.02 -1.26 -4.77 117.35 121.84 1sg7 s TYR 23 Ca 0.00 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1sg7 s TYR 23 Cb 0.00 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1sg7 s TYR 23 CO 0.00 0.11 -0.05 1.17 -1.57 0.00 0.00 175.55 175.21 1sg7 n LYS 24 N 2.30 0.12 0.05 -0.62 3.00 -1.26 -4.98 118.16 116.76 1sg7 n LYS 24 Ca -0.17 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 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 -2.89 0.61 0.00 3.15 -2.24 -1.26 -5.08 114.28 106.56 1sg7 n THR 25 Ca -0.09 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1sg7 n THR 25 Cb 0.58 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.29 0.00 0.18 -0.78 5.02 -1.26 -4.81 118.16 113.22 1sg7 n LYS 26 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 1sg7 n LYS 26 Cb 0.12 0.00 0.81 0.00 -0.02 0.00 0.00 35.03 35.94 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 0.36 4.39 0.02 -1.98 0.13 113.55 116.47 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 -3.41 3.07 5.19 -1.92 -3.45 116.42 115.90 1sg7 h ASP 28 Ca 0.11 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.03 1sg7 h ASP 28 Cb 0.68 0.00 0.22 0.00 0.18 0.00 0.00 39.33 40.40 1sg7 h ASP 28 CO -0.00 0.00 -0.32 0.18 -3.12 0.00 0.00 179.24 175.98 1sg7 n LEU 29 N -2.56 0.14 -4.76 1.55 4.77 0.45 -4.80 117.00 111.79 1sg7 n LEU 29 Ca -0.01 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 1sg7 n LEU 29 Cb 0.14 -1.25 -0.02 0.00 -2.33 0.00 0.00 43.42 39.96 1sg7 n LEU 29 CO 0.17 -3.03 1.02 -2.84 -1.33 0.00 0.00 177.39 171.38 1sg7 s PRO 30 N -4.06 4.31 0.25 3.23 0.02 -1.26 -4.75 135.00 132.74 1sg7 s PRO 30 Ca 0.62 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.87 1sg7 s PRO 30 Cb -0.21 -3.07 0.46 0.00 0.02 0.00 0.00 34.50 31.70 1sg7 s PRO 30 CO 0.64 -0.27 1.74 1.05 -0.33 0.00 0.00 177.00 179.82 1sg7 h GLU 31 N 3.76 0.46 0.00 5.54 4.11 -1.92 0.99 114.58 127.53 1sg7 h GLU 31 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1sg7 h GLU 31 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sg7 h GLU 31 CO 0.68 0.31 0.00 0.45 0.07 0.00 0.00 179.01 180.52 1sg7 n SER 32 N -4.97 0.30 -0.11 3.06 2.88 -1.26 0.32 113.62 113.83 1sg7 n SER 32 Ca 0.14 0.60 -0.20 0.00 -1.33 0.00 0.00 58.87 58.08 1sg7 n SER 32 Cb 0.41 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.86 1.51 0.25 2.46 0.31 0.30 -4.22 118.33 117.07 1sg7 n VAL 33 Ca 0.01 -0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1sg7 n VAL 33 Cb 0.11 -2.09 0.64 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.04 5.55 1.57 0.02 0.58 116.57 123.25 1sg7 h LYS 34 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sg7 h LYS 34 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1sg7 h LYS 34 CO -0.23 0.16 0.00 0.72 -0.57 0.00 0.00 179.45 179.53 1sg7 n HIS 35 N -3.81 0.05 0.00 -1.35 8.25 0.15 -3.72 115.22 114.78 1sg7 n HIS 35 Ca -0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1sg7 n HIS 35 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.53 0.00 -2.94 1.59 0.24 -0.67 -4.93 118.33 111.09 1sg7 n VAL 36 Ca 0.11 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.01 1sg7 n VAL 36 Cb 0.09 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.35 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 -1.09 4.38 0.00 1.34 1.02 0.20 -0.22 118.68 124.30 1sg7 s LEU 37 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 54.13 55.54 1sg7 s LEU 37 Cb 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 46.19 42.96 1sg7 s LEU 37 CO 0.00 -0.10 0.34 -2.65 0.02 0.00 0.00 176.35 173.96 1sg7 n PRO 38 N 3.45 0.00 0.00 1.29 -0.02 -1.26 -4.80 135.00 133.65 1sg7 n PRO 38 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1sg7 n PRO 38 Cb 0.51 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 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 -0.39 0.00 0.02 2.55 2.88 -1.26 -4.88 113.62 112.53 1sg7 n SER 39 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1sg7 n SER 39 Cb 0.00 0.13 0.29 0.00 -0.75 0.00 0.00 64.21 63.89 1sg7 n SER 39 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sg7 n HIS 40 N -2.17 0.11 0.18 0.66 -0.00 -1.26 -2.06 115.22 110.69 1sg7 n HIS 40 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 57.72 57.81 1sg7 n HIS 40 Cb 0.00 -0.57 0.35 0.00 -0.00 0.00 0.00 29.99 29.77 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 2.39 1.14 -0.19 1.57 0.00 -1.92 -0.26 119.26 121.98 1sg7 h ALA 41 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1sg7 h ALA 41 Cb 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sg7 h ALA 41 CO 0.00 0.50 -0.72 1.96 0.00 0.00 0.00 179.25 180.99 1sg7 h GLN 42 N 0.00 0.82 -0.42 0.00 4.20 -1.76 0.78 115.11 118.74 1sg7 h GLN 42 Ca -0.00 -0.63 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 1sg7 h GLN 42 Cb 0.80 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1sg7 h GLN 42 CO 0.05 1.24 0.17 0.22 -0.67 0.00 0.00 178.83 179.85 1sg7 h ASP 43 N 0.58 0.58 0.40 1.46 3.58 -1.58 0.53 116.42 121.97 1sg7 h ASP 43 Ca -0.04 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1sg7 h ASP 43 Cb 1.35 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1sg7 h ASP 43 CO 0.15 0.58 -0.23 0.40 -2.88 0.00 0.00 179.24 177.26 1sg7 h ILE 44 N 0.53 0.52 0.11 2.25 2.04 -0.91 0.29 117.51 122.34 1sg7 h ILE 44 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1sg7 h ILE 44 Cb 0.18 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1sg7 h ILE 44 CO -0.01 0.00 -0.25 0.22 0.00 0.00 0.00 178.15 178.11 1sg7 h TYR 45 N -0.60 -0.72 -0.24 1.37 5.03 0.90 0.23 116.97 122.95 1sg7 h TYR 45 Ca -0.05 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.34 1sg7 h TYR 45 Cb 0.49 0.30 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 1sg7 h TYR 45 CO -0.08 -0.30 -0.22 -0.22 -1.32 0.00 0.00 178.16 176.02 1sg7 h LYS 46 N -0.40 -0.21 -0.88 1.82 3.64 0.08 0.90 116.57 121.52 1sg7 h LYS 46 Ca -0.01 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1sg7 h LYS 46 Cb 0.38 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1sg7 h LYS 46 CO -0.11 -0.14 0.57 0.93 -2.27 0.00 0.00 179.45 178.43 1sg7 h GLU 47 N -0.22 0.95 -0.09 1.90 4.39 -0.29 0.52 114.58 121.75 1sg7 h GLU 47 Ca 0.14 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.54 1sg7 h GLU 47 Cb 0.43 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1sg7 h GLU 47 CO -0.37 0.63 -0.87 0.00 -1.16 0.00 0.00 179.01 177.25 1sg7 h ALA 48 N 1.53 0.29 -0.04 3.43 0.00 0.55 -2.57 119.26 122.45 1sg7 h ALA 48 Ca 0.38 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sg7 h ALA 48 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sg7 h ALA 48 CO -0.14 0.71 0.02 0.35 0.00 0.00 0.00 179.25 180.18 1sg7 h PHE 49 N 0.44 0.05 -0.70 0.00 3.04 0.19 -2.07 116.94 117.91 1sg7 h PHE 49 Ca -0.08 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.95 1sg7 h PHE 49 Cb 1.50 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.93 1sg7 h PHE 49 CO 0.08 0.14 0.37 -0.91 -2.02 0.00 0.00 178.31 175.98 1sg7 h ASN 50 N -0.05 0.53 -0.50 0.41 -0.26 -0.04 0.46 115.58 116.14 1sg7 h ASN 50 Ca 0.01 0.04 0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1sg7 h ASN 50 Cb 0.11 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.26 1sg7 h ASN 50 CO -0.00 0.33 0.21 -1.28 -1.06 0.00 0.00 177.43 175.63 1sg7 h SER 51 N 0.67 0.27 0.27 5.81 0.87 -1.20 0.65 113.55 120.89 1sg7 h SER 51 Ca 0.33 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1sg7 h SER 51 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1sg7 h SER 51 CO -0.22 0.19 -0.45 0.00 -0.53 0.00 0.00 176.83 175.82 1sg7 h ALA 52 N 1.30 1.07 0.16 6.23 0.00 -0.58 0.59 119.26 128.03 1sg7 h ALA 52 Ca 0.23 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sg7 h ALA 52 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sg7 h ALA 52 CO -0.20 0.62 -0.08 2.35 0.00 0.00 0.00 179.25 181.94 1sg7 h TRP 53 N 0.19 -0.20 -0.15 0.00 7.01 0.15 0.38 115.95 123.33 1sg7 h TRP 53 Ca 0.01 -0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.87 1sg7 h TRP 53 Cb 0.87 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 1sg7 h TRP 53 CO 0.01 0.10 -0.49 0.22 -2.79 0.00 0.00 178.44 175.49 1sg7 h ASP 54 N -0.50 0.43 0.61 2.65 1.82 0.31 -2.67 116.42 119.06 1sg7 h ASP 54 Ca -0.02 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1sg7 h ASP 54 Cb 0.39 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1sg7 h ASP 54 CO 0.04 0.85 -0.21 1.56 -1.61 0.00 0.00 179.24 179.87 1sg7 h GLN 55 N 0.31 0.00 -2.37 0.28 4.20 0.27 -3.26 115.11 114.53 1sg7 h GLN 55 Ca 0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1sg7 h GLN 55 Cb 0.98 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 1sg7 h GLN 55 CO 0.08 0.21 0.03 0.98 -0.67 0.00 0.00 178.83 179.46 1sg7 n TYR 56 N -3.58 0.00 1.43 2.96 9.36 0.12 -4.31 117.16 123.14 1sg7 n TYR 56 Ca -0.01 -0.72 0.13 0.00 3.32 0.00 0.00 57.90 60.61 1sg7 n TYR 56 Cb 0.35 -0.88 0.71 0.00 -0.63 0.00 0.00 39.34 38.89 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 2.52 0.62 -0.01 2.98 4.76 -1.23 -1.81 118.16 125.98 1sg7 n LYS 57 Ca 0.17 0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.56 1sg7 n LYS 57 Cb 0.43 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.21 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 0.63 0.00 4.39 1.82 -1.93 -3.42 116.42 117.90 1sg7 h ASP 58 Ca 0.00 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 56.29 1sg7 h ASP 58 Cb 0.09 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 39.85 1sg7 h ASP 58 CO 0.00 0.97 0.22 1.17 -1.61 0.00 0.00 179.24 179.99 1sg7 n LYS 59 N -4.02 0.07 -0.05 0.28 4.81 -1.20 -5.05 118.16 113.00 1sg7 n LYS 59 Ca -0.02 -0.52 -0.17 0.00 -0.87 0.00 0.00 58.31 56.73 1sg7 n LYS 59 Cb 0.53 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.46 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 0.94 0.06 -0.94 1.64 -0.00 -1.62 -3.37 114.58 111.29 1sg7 h GLU 60 Ca -0.54 -0.11 -0.58 0.00 -0.00 0.00 0.00 59.36 58.13 1sg7 h GLU 60 Cb 1.21 0.04 -0.29 0.00 -0.00 0.00 0.00 28.75 29.70 1sg7 h GLU 60 CO -0.20 1.05 0.62 -0.40 -0.00 0.00 0.00 179.01 180.08 1sg7 n ASP 61 N -4.45 5.78 0.00 3.06 5.68 -1.26 -3.79 116.55 121.56 1sg7 n ASP 61 Ca -0.16 -3.73 0.00 0.00 -0.50 0.00 0.00 54.79 50.40 1sg7 n ASP 61 Cb 0.60 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 1sg7 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1sg7 n ARG 62 N -1.00 0.00 -0.12 0.11 5.12 -1.26 -5.03 116.66 114.48 1sg7 n ARG 62 Ca 0.59 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 56.26 1sg7 n ARG 62 Cb 1.06 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 32.25 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 0.62 -1.94 5.56 1.85 -1.26 -4.59 116.66 116.90 1sg7 n ARG 63 Ca 0.00 0.25 -0.36 0.00 -1.00 0.00 0.00 57.85 56.74 1sg7 n ARG 63 Cb 0.00 -1.54 -0.01 0.00 -1.05 0.00 0.00 32.46 29.86 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 -3.88 7.33 -0.07 2.89 -0.08 -1.26 -4.70 116.55 116.78 1sg7 n ASP 64 Ca -0.48 -3.38 0.05 0.00 -1.51 0.00 0.00 54.79 49.47 1sg7 n ASP 64 Cb 0.91 -1.24 0.40 0.00 2.34 0.00 0.00 41.12 43.53 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 3.75 0.55 -0.62 1.67 5.19 -1.76 -2.33 116.42 122.87 1sg7 h ASP 65 Ca 0.55 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 57.03 1sg7 h ASP 65 Cb 0.39 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 1sg7 h ASP 65 CO 1.22 0.38 0.28 0.00 -3.12 0.00 0.00 179.24 178.00 1sg7 h ALA 66 N 1.68 0.81 -0.73 3.45 0.00 -1.85 -0.69 119.26 121.93 1sg7 h ALA 66 Ca 0.21 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1sg7 h ALA 66 Cb 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1sg7 h ALA 66 CO -0.05 -0.11 0.29 1.03 0.00 0.00 0.00 179.25 180.40 1sg7 h SER 67 N 0.50 0.28 0.47 0.00 0.87 -1.79 1.09 113.55 114.97 1sg7 h SER 67 Ca 0.30 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1sg7 h SER 67 Cb 0.31 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1sg7 h SER 67 CO -0.25 0.12 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.70 1sg7 h ARG 68 N 0.45 -0.78 -0.62 2.24 1.12 -1.19 0.83 114.38 116.42 1sg7 h ARG 68 Ca 0.39 0.05 0.13 0.00 -1.11 0.00 0.00 59.98 59.44 1sg7 h ARG 68 Cb 0.57 0.18 -0.11 0.00 -0.01 0.00 0.00 29.97 30.59 1sg7 h ARG 68 CO -0.38 -0.52 -0.11 1.49 -3.11 0.00 0.00 179.97 177.34 1sg7 h GLU 69 N -0.81 0.03 0.26 0.20 4.81 -0.44 0.34 114.58 118.97 1sg7 h GLU 69 Ca -0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1sg7 h GLU 69 Cb 0.68 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1sg7 h GLU 69 CO 0.01 0.02 -0.51 1.49 -0.73 0.00 0.00 179.01 179.29 1sg7 h GLU 70 N 0.03 -0.80 -0.50 1.92 4.57 0.17 0.48 114.58 120.45 1sg7 h GLU 70 Ca 0.31 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.64 1sg7 h GLU 70 Cb 0.48 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.16 1sg7 h GLU 70 CO -0.61 -0.53 -0.10 1.15 -1.18 0.00 0.00 179.01 177.73 1sg7 h THR 71 N -0.83 0.51 -0.60 0.32 2.02 0.20 0.15 112.91 114.68 1sg7 h THR 71 Ca -0.03 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1sg7 h THR 71 Cb 0.78 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 1sg7 h THR 71 CO -0.20 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.75 1sg7 h ALA 72 N 1.49 0.65 -0.43 6.16 0.00 0.20 0.74 119.26 128.08 1sg7 h ALA 72 Ca 0.24 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.40 1sg7 h ALA 72 Cb 0.37 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1sg7 h ALA 72 CO -0.50 -0.36 -0.04 0.45 0.00 0.00 0.00 179.25 178.80 1sg7 h HIS 73 N 0.18 -0.10 -0.63 0.00 -0.00 0.15 0.71 115.15 115.45 1sg7 h HIS 73 Ca 0.32 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 1sg7 h HIS 73 Cb 0.50 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.98 1sg7 h HIS 73 CO -0.31 -0.13 0.39 0.87 -0.00 0.00 0.00 177.93 178.76 1sg7 h LYS 74 N 0.07 0.75 0.47 2.45 1.57 0.15 -1.36 116.57 120.65 1sg7 h LYS 74 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1sg7 h LYS 74 Cb 0.31 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1sg7 h LYS 74 CO -0.39 0.50 -0.22 0.28 -0.57 0.00 0.00 179.45 179.05 1sg7 h VAL 75 N 0.77 0.33 -0.76 0.50 2.07 0.16 -2.65 116.25 116.68 1sg7 h VAL 75 Ca 0.25 -0.52 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1sg7 h VAL 75 Cb 0.01 0.49 -0.13 0.00 -1.52 0.00 0.00 31.29 30.14 1sg7 h VAL 75 CO -0.10 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.55 1sg7 h ALA 76 N -0.76 0.77 -0.76 1.67 0.00 0.42 0.55 119.26 121.15 1sg7 h ALA 76 Ca -0.06 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1sg7 h ALA 76 Cb 0.58 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1sg7 h ALA 76 CO 0.10 -0.42 0.45 -1.49 0.00 0.00 0.00 179.25 177.89 1sg7 h TRP 77 N 0.09 0.82 -0.77 0.00 4.06 -1.27 0.23 115.95 119.12 1sg7 h TRP 77 Ca 0.41 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.54 1sg7 h TRP 77 Cb 0.72 -0.26 -0.10 0.00 -1.00 0.00 0.00 29.16 28.52 1sg7 h TRP 77 CO -0.43 0.39 0.29 0.00 -3.56 0.00 0.00 178.44 175.12 1sg7 h ALA 78 N 1.39 1.09 -0.27 1.49 0.00 0.47 1.70 119.26 125.13 1sg7 h ALA 78 Ca 0.34 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1sg7 h ALA 78 Cb 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sg7 h ALA 78 CO -0.19 -0.25 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1sg7 h ALA 79 N 1.58 0.36 -0.01 0.00 0.00 -0.55 -1.11 119.26 119.53 1sg7 h ALA 79 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1sg7 h ALA 79 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sg7 h ALA 79 CO -0.44 0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.10 1sg7 h VAL 80 N 0.27 0.94 0.00 0.00 2.07 0.12 0.01 116.25 119.66 1sg7 h VAL 80 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1sg7 h VAL 80 Cb 0.31 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 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 -0.04 0.00 0.05 1.57 1.57 0.25 2.49 116.57 122.46 1sg7 h LYS 81 Ca 0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 1sg7 h LYS 81 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1sg7 h LYS 81 CO -0.03 0.00 -1.06 1.25 -0.57 0.00 0.00 179.45 179.04 1sg7 h HIS 82 N 0.00 0.20 0.00 -1.35 2.76 0.08 -3.38 115.15 113.46 1sg7 h HIS 82 Ca 0.00 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1sg7 h HIS 82 Cb 0.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1sg7 h HIS 82 CO 0.00 1.41 -1.00 0.39 -1.30 0.00 0.00 177.93 177.43 1sg7 n GLU 83 N -4.24 0.16 -4.13 5.26 1.02 -0.13 -4.11 120.64 114.47 1sg7 n GLU 83 Ca -0.24 -0.02 -0.16 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 -3.12 0.92 0.06 -0.32 1.51 0.83 0.30 117.35 117.53 1sg7 s TYR 84 Ca 0.06 -0.46 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 1sg7 s TYR 84 Cb 0.15 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 1sg7 s TYR 84 CO 0.82 -0.02 -0.24 0.00 -1.11 0.00 0.00 175.55 175.00 1sg7 s ALA 85 N -1.25 2.02 -0.28 3.71 0.00 0.32 -3.66 121.76 122.62 1sg7 s ALA 85 Ca -0.06 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1sg7 s ALA 85 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1sg7 s ALA 85 CO 0.01 0.46 0.26 0.21 0.00 0.00 0.00 175.76 176.70 1sg7 s LYS 86 N -1.35 3.94 0.00 0.00 2.20 -1.26 0.81 119.74 124.08 1sg7 s LYS 86 Ca 0.10 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1sg7 s LYS 86 Cb -0.09 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1sg7 s LYS 86 CO 0.03 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1sg7 n GLY 87 N 4.93 -1.23 1.84 5.54 0.00 0.43 -4.92 105.19 111.79 1sg7 n GLY 87 Ca -0.12 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.44 4.44 0.00 1.61 5.68 -1.26 -3.82 116.55 122.77 1sg7 n ASP 88 Ca 0.00 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.21 1sg7 n ASP 88 Cb 0.00 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 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 -0.38 0.62 -0.91 -1.12 9.92 -1.26 -4.99 116.55 118.42 1sg7 n ASP 89 Ca 0.38 -1.26 -0.07 0.00 -0.53 0.00 0.00 54.79 53.31 1sg7 n ASP 89 Cb 1.05 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.53 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 -0.13 -2.81 -4.29 -2.24 2.03 -1.25 -5.03 116.55 102.83 1sg7 n ASP 90 Ca 0.00 -0.02 -0.16 0.00 0.52 0.00 0.00 54.79 55.13 1sg7 n ASP 90 Cb 0.34 -2.06 -0.10 0.00 -0.72 0.00 0.00 41.12 38.58 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 -4.47 1.16 0.28 -0.67 1.02 -1.26 -4.72 119.74 111.08 1sg7 s LYS 91 Ca 0.02 -1.50 0.10 0.00 0.02 0.00 0.00 55.97 54.61 1sg7 s LYS 91 Cb -0.01 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1sg7 s LYS 91 CO 0.02 0.12 -0.08 -1.58 -0.92 0.00 0.00 175.35 172.91 1sg7 s TRP 92 N -3.17 2.51 -0.08 3.18 0.52 0.69 -0.43 118.94 122.15 1sg7 s TRP 92 Ca 0.19 -0.30 -0.06 0.00 0.02 0.00 0.00 56.10 55.94 1sg7 s TRP 92 Cb 0.01 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.20 1sg7 s TRP 92 CO 0.03 0.64 0.21 -3.38 0.02 0.00 0.00 176.95 174.47 1sg7 s HIS 93 N -2.43 -0.25 -0.02 -1.98 -3.43 0.24 -4.17 115.29 103.25 1sg7 s HIS 93 Ca 0.31 0.62 -0.34 0.00 -0.80 0.00 0.00 55.06 54.85 1sg7 s HIS 93 Cb -0.05 0.06 -0.12 0.00 -1.43 0.00 0.00 32.58 31.04 1sg7 s HIS 93 CO 0.18 -0.15 1.83 1.17 -2.00 0.00 0.00 174.74 175.77 1sg7 n LYS 94 N 3.40 2.28 0.00 -0.38 4.81 -1.26 0.12 118.16 127.13 1sg7 n LYS 94 Ca -0.17 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1sg7 n LYS 94 Cb 0.57 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 6.04 0.00 0.00 1.64 4.76 0.89 -4.79 118.16 126.69 1sg7 n LYS 95 Ca 0.21 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.80 1sg7 n LYS 95 Cb 0.31 -0.38 0.76 0.00 -1.84 0.00 0.00 35.03 33.88 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46