#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 -4.85 117.35 121.80 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 -1.50 -0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1sg7 s TYR 23 CO 0.00 0.18 -0.00 1.63 -1.57 0.00 0.00 175.55 175.79 1sg7 n LYS 24 N 1.89 0.09 0.05 -0.62 4.76 -1.26 -5.00 118.16 118.06 1sg7 n LYS 24 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1sg7 n LYS 24 Cb 0.52 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 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 -2.49 0.60 0.00 -0.18 -2.24 -1.26 -5.09 114.28 103.62 1sg7 n THR 25 Ca -0.00 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1sg7 n THR 25 Cb 0.50 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.17 0.00 0.21 -0.78 4.81 -1.26 -4.83 118.16 113.14 1sg7 n LYS 26 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 1sg7 n LYS 26 Cb 0.00 0.00 0.76 0.00 0.02 0.00 0.00 35.03 35.81 1sg7 n LYS 26 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sg7 h SER 27 N 0.00 0.00 0.60 3.14 0.87 -1.98 -0.52 113.55 115.66 1sg7 h SER 27 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sg7 h SER 27 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sg7 h SER 27 CO 0.00 0.00 0.00 0.44 -0.53 0.00 0.00 176.83 176.74 1sg7 h ASP 28 N 0.00 0.00 -3.08 6.23 5.19 -1.92 -3.45 116.42 119.39 1sg7 h ASP 28 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 1sg7 h ASP 28 Cb 0.05 0.00 0.22 0.00 0.18 0.00 0.00 39.33 39.78 1sg7 h ASP 28 CO 0.00 0.00 -0.57 0.18 -3.12 0.00 0.00 179.24 175.73 1sg7 n LEU 29 N -2.92 -0.78 -4.76 1.55 4.77 -0.21 -4.86 117.00 109.79 1sg7 n LEU 29 Ca -0.00 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 1sg7 n LEU 29 Cb 0.20 -1.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 1sg7 n LEU 29 CO 0.23 -3.19 1.03 -2.84 -1.33 0.00 0.00 177.39 171.28 1sg7 s PRO 30 N -3.82 4.31 0.19 3.23 0.02 -1.26 -4.74 135.00 132.92 1sg7 s PRO 30 Ca 0.60 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.74 1sg7 s PRO 30 Cb -0.19 -3.07 0.17 0.00 0.02 0.00 0.00 34.50 31.44 1sg7 s PRO 30 CO 0.65 -0.29 1.65 1.05 -0.33 0.00 0.00 177.00 179.74 1sg7 h GLU 31 N 3.78 0.01 0.00 5.54 4.11 -1.92 1.00 114.58 127.10 1sg7 h GLU 31 Ca -0.48 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1sg7 h GLU 31 Cb 1.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sg7 h GLU 31 CO 0.68 0.01 0.02 0.45 0.07 0.00 0.00 179.01 180.24 1sg7 n SER 32 N -5.35 0.47 -0.11 3.06 2.88 -1.26 0.99 113.62 114.29 1sg7 n SER 32 Ca 0.05 0.71 -0.22 0.00 -1.33 0.00 0.00 58.87 58.09 1sg7 n SER 32 Cb 0.28 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.13 1.51 0.21 2.46 0.31 0.30 -4.36 118.33 116.63 1sg7 n VAL 33 Ca -0.01 -0.13 0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1sg7 n VAL 33 Cb 0.05 -2.06 0.46 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.99 5.55 1.57 0.39 0.27 116.57 122.36 1sg7 h LYS 34 Ca -0.42 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1sg7 h LYS 34 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1sg7 h LYS 34 CO -0.25 0.26 0.06 0.72 -0.57 0.00 0.00 179.45 179.67 1sg7 n HIS 35 N -4.15 0.35 0.00 -1.35 8.25 0.28 -3.60 115.22 115.00 1sg7 n HIS 35 Ca -0.02 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1sg7 n HIS 35 Cb 0.32 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.24 0.00 -2.79 1.59 0.24 -0.95 -4.92 118.33 111.74 1sg7 n VAL 36 Ca 0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.95 1sg7 n VAL 36 Cb 0.58 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.71 4.38 0.00 1.34 1.02 0.91 -0.76 118.68 123.85 1sg7 s LEU 37 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 54.13 55.72 1sg7 s LEU 37 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 46.19 42.75 1sg7 s LEU 37 CO 0.00 -0.20 0.17 -2.65 0.02 0.00 0.00 176.35 173.69 1sg7 n PRO 38 N 3.71 0.00 0.00 1.29 -0.02 -1.26 -4.81 135.00 133.91 1sg7 n PRO 38 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1sg7 n PRO 38 Cb 0.51 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.22 0.00 0.07 2.55 7.64 -1.26 -4.87 113.62 117.53 1sg7 n SER 39 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1sg7 n SER 39 Cb 0.00 0.06 0.32 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.74 0.36 0.05 1.43 -0.00 -1.26 -1.73 115.22 112.34 1sg7 n HIS 40 Ca 0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 57.72 57.84 1sg7 n HIS 40 Cb 0.00 -0.78 0.14 0.00 -0.00 0.00 0.00 29.99 29.35 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 2.12 0.92 -0.35 1.57 0.00 -1.92 -0.74 119.26 120.85 1sg7 h ALA 41 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1sg7 h ALA 41 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sg7 h ALA 41 CO 0.00 0.65 -0.33 1.96 0.00 0.00 0.00 179.25 181.53 1sg7 h GLN 42 N 0.31 0.78 -0.38 0.00 4.20 -1.66 0.83 115.11 119.19 1sg7 h GLN 42 Ca 0.02 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 1sg7 h GLN 42 Cb 0.94 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1sg7 h GLN 42 CO 0.08 1.00 0.02 0.22 -0.67 0.00 0.00 178.83 179.48 1sg7 h ASP 43 N 0.66 0.63 0.36 1.46 1.82 -1.59 0.28 116.42 120.03 1sg7 h ASP 43 Ca 0.07 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1sg7 h ASP 43 Cb 0.87 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1sg7 h ASP 43 CO 0.08 0.76 -0.28 0.40 -1.61 0.00 0.00 179.24 178.60 1sg7 h ILE 44 N 0.48 0.42 -0.02 2.25 2.04 -0.81 0.38 117.51 122.25 1sg7 h ILE 44 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1sg7 h ILE 44 Cb 0.43 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1sg7 h ILE 44 CO 0.01 0.00 -0.37 0.22 0.00 0.00 0.00 178.15 178.01 1sg7 h TYR 45 N -0.63 -1.10 -0.29 1.37 5.03 0.89 0.30 116.97 122.53 1sg7 h TYR 45 Ca -0.03 0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.39 1sg7 h TYR 45 Cb 0.55 0.48 -0.07 0.00 1.55 0.00 0.00 36.73 39.24 1sg7 h TYR 45 CO -0.14 -0.40 -0.19 -0.22 -1.32 0.00 0.00 178.16 175.90 1sg7 h LYS 46 N -0.46 -0.15 -0.99 1.82 3.64 -0.32 0.82 116.57 120.92 1sg7 h LYS 46 Ca 0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1sg7 h LYS 46 Cb 0.50 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1sg7 h LYS 46 CO -0.26 -0.10 0.65 0.93 -2.27 0.00 0.00 179.45 178.39 1sg7 h GLU 47 N -0.16 1.19 -0.11 1.90 5.08 0.13 0.63 114.58 123.25 1sg7 h GLU 47 Ca 0.15 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 1sg7 h GLU 47 Cb 0.40 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1sg7 h GLU 47 CO -0.39 0.78 -0.84 0.00 -1.00 0.00 0.00 179.01 177.57 1sg7 h ALA 48 N 1.42 0.30 0.09 3.43 0.00 0.45 -1.89 119.26 123.07 1sg7 h ALA 48 Ca 0.41 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sg7 h ALA 48 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sg7 h ALA 48 CO -0.14 0.70 -0.04 0.35 0.00 0.00 0.00 179.25 180.11 1sg7 h PHE 49 N 0.47 -0.11 -0.49 0.00 3.04 0.13 -1.94 116.94 118.04 1sg7 h PHE 49 Ca -0.07 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.91 1sg7 h PHE 49 Cb 1.47 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.98 1sg7 h PHE 49 CO 0.08 0.03 0.27 -0.91 -2.02 0.00 0.00 178.31 175.77 1sg7 h ASN 50 N -0.23 0.42 -0.63 0.41 2.35 0.22 0.19 115.58 118.31 1sg7 h ASN 50 Ca -0.01 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1sg7 h ASN 50 Cb 0.19 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1sg7 h ASN 50 CO 0.02 0.30 0.31 -1.28 -1.65 0.00 0.00 177.43 175.12 1sg7 h SER 51 N 0.54 0.41 0.17 5.81 0.87 -1.20 0.58 113.55 120.73 1sg7 h SER 51 Ca 0.21 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1sg7 h SER 51 Cb 0.07 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1sg7 h SER 51 CO -0.12 0.25 -0.34 0.00 -0.53 0.00 0.00 176.83 176.09 1sg7 h ALA 52 N 1.37 1.19 0.16 6.23 0.00 -0.73 0.55 119.26 128.04 1sg7 h ALA 52 Ca 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sg7 h ALA 52 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sg7 h ALA 52 CO -0.23 0.54 -0.08 2.35 0.00 0.00 0.00 179.25 181.83 1sg7 h TRP 53 N 0.22 -0.20 -0.37 0.00 7.01 0.19 0.28 115.95 123.08 1sg7 h TRP 53 Ca 0.03 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 1sg7 h TRP 53 Cb 0.72 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 1sg7 h TRP 53 CO 0.01 0.11 -0.25 0.22 -2.79 0.00 0.00 178.44 175.74 1sg7 h ASP 54 N -0.52 0.75 0.58 2.65 3.58 0.15 -2.52 116.42 121.09 1sg7 h ASP 54 Ca -0.02 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 1sg7 h ASP 54 Cb 0.40 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1sg7 h ASP 54 CO 0.04 0.97 -0.27 1.56 -2.88 0.00 0.00 179.24 178.65 1sg7 h GLN 55 N 0.64 0.00 -2.30 0.28 4.20 0.19 -3.24 115.11 114.87 1sg7 h GLN 55 Ca 0.09 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1sg7 h GLN 55 Cb 0.75 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 1sg7 h GLN 55 CO 0.06 0.27 -0.08 0.98 -0.67 0.00 0.00 178.83 179.39 1sg7 n TYR 56 N -3.69 0.00 1.66 2.96 9.36 0.98 -4.38 117.16 124.04 1sg7 n TYR 56 Ca -0.01 -0.96 0.10 0.00 3.32 0.00 0.00 57.90 60.34 1sg7 n TYR 56 Cb 0.39 -1.12 0.57 0.00 -0.63 0.00 0.00 39.34 38.54 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 2.57 0.83 0.08 2.98 5.02 -1.23 -1.06 118.16 127.36 1sg7 n LYS 57 Ca 0.26 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1sg7 n LYS 57 Cb 0.58 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1sg7 n LYS 57 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1sg7 h ASP 58 N 0.00 0.26 0.00 4.39 3.58 -1.93 -3.42 116.42 119.30 1sg7 h ASP 58 Ca 0.00 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 1sg7 h ASP 58 Cb 0.00 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 1sg7 h ASP 58 CO 0.00 1.07 0.07 1.17 -2.88 0.00 0.00 179.24 178.66 1sg7 n LYS 59 N -3.60 0.25 0.25 0.28 3.00 -1.18 -5.04 118.16 112.12 1sg7 n LYS 59 Ca -0.04 -0.52 -0.11 0.00 -0.00 0.00 0.00 58.31 57.65 1sg7 n LYS 59 Cb 0.86 0.03 -0.05 0.00 0.00 0.00 0.00 35.03 35.87 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 0.74 -0.67 -1.15 1.64 4.11 -1.36 -3.36 114.58 114.52 1sg7 h GLU 60 Ca -0.35 0.05 -0.64 0.00 0.07 0.00 0.00 59.36 58.48 1sg7 h GLU 60 Cb 1.16 0.15 -0.35 0.00 0.50 0.00 0.00 28.75 30.22 1sg7 h GLU 60 CO -0.13 -0.45 0.20 -3.47 0.07 0.00 0.00 179.01 175.23 1sg7 n ASP 61 N -5.05 6.47 0.00 3.06 2.03 -1.26 -3.99 116.55 117.81 1sg7 n ASP 61 Ca -0.09 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.45 1sg7 n ASP 61 Cb 0.28 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1sg7 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sg7 n ARG 62 N -0.74 0.00 -0.10 -0.67 1.74 -1.26 -4.98 116.66 110.65 1sg7 n ARG 62 Ca 0.53 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.41 1sg7 n ARG 62 Cb 0.69 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 32.00 1sg7 n ARG 62 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1sg7 n ARG 63 N 0.00 0.66 -2.09 5.56 1.85 -1.26 -4.49 116.66 116.89 1sg7 n ARG 63 Ca 0.00 0.20 -0.39 0.00 -1.00 0.00 0.00 57.85 56.66 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 -3.45 7.38 -0.23 2.89 2.03 -1.26 -4.73 116.55 119.18 1sg7 n ASP 64 Ca -0.44 -3.65 0.03 0.00 0.52 0.00 0.00 54.79 51.25 1sg7 n ASP 64 Cb 0.98 -1.15 0.27 0.00 -0.72 0.00 0.00 41.12 40.50 1sg7 n ASP 64 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1sg7 h ASP 65 N 3.51 0.83 -0.77 1.67 5.19 -1.75 -2.40 116.42 122.70 1sg7 h ASP 65 Ca 0.55 -0.01 0.10 0.00 -0.62 0.00 0.00 57.03 57.05 1sg7 h ASP 65 Cb 0.23 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 39.48 1sg7 h ASP 65 CO 1.28 0.56 0.41 0.00 -3.12 0.00 0.00 179.24 178.38 1sg7 h ALA 66 N 1.54 1.09 -0.79 3.45 0.00 -1.85 -0.42 119.26 122.30 1sg7 h ALA 66 Ca 0.32 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.43 1sg7 h ALA 66 Cb 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 1sg7 h ALA 66 CO -0.09 0.01 0.32 1.03 0.00 0.00 0.00 179.25 180.52 1sg7 h SER 67 N 0.69 0.30 0.31 0.00 0.87 -1.78 0.74 113.55 114.68 1sg7 h SER 67 Ca 0.38 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 1sg7 h SER 67 Cb 0.39 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1sg7 h SER 67 CO -0.27 0.09 -0.33 -0.09 -0.53 0.00 0.00 176.83 175.71 1sg7 h ARG 68 N 0.45 -0.62 -0.53 2.24 1.12 -1.14 0.77 114.38 116.67 1sg7 h ARG 68 Ca 0.44 0.04 0.11 0.00 -1.11 0.00 0.00 59.98 59.46 1sg7 h ARG 68 Cb 0.70 0.14 -0.10 0.00 -0.01 0.00 0.00 29.97 30.70 1sg7 h ARG 68 CO -0.42 -0.42 -0.19 1.49 -3.11 0.00 0.00 179.97 177.32 1sg7 h GLU 69 N -0.65 -0.06 0.02 0.20 4.81 -0.91 0.53 114.58 118.52 1sg7 h GLU 69 Ca -0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1sg7 h GLU 69 Cb 0.56 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1sg7 h GLU 69 CO -0.05 -0.04 -0.41 1.49 -0.73 0.00 0.00 179.01 179.27 1sg7 h GLU 70 N -0.06 -0.51 -0.32 1.92 4.57 0.93 0.24 114.58 121.33 1sg7 h GLU 70 Ca 0.25 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.54 1sg7 h GLU 70 Cb 0.45 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.08 1sg7 h GLU 70 CO -0.58 -0.34 -0.17 1.15 -1.18 0.00 0.00 179.01 177.89 1sg7 h THR 71 N -0.53 0.50 -0.74 0.32 2.02 0.15 0.35 112.91 114.98 1sg7 h THR 71 Ca 0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.34 1sg7 h THR 71 Cb 0.56 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.37 1sg7 h THR 71 CO -0.26 0.00 0.22 0.00 0.37 0.00 0.00 175.52 175.85 1sg7 h ALA 72 N 1.11 0.99 -0.38 6.16 0.00 0.58 0.73 119.26 128.45 1sg7 h ALA 72 Ca 0.17 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1sg7 h ALA 72 Cb 0.37 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1sg7 h ALA 72 CO -0.40 -0.30 0.11 0.45 0.00 0.00 0.00 179.25 179.11 1sg7 h HIS 73 N 0.33 0.18 -0.71 0.00 -0.00 0.14 0.62 115.15 115.71 1sg7 h HIS 73 Ca 0.42 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.84 1sg7 h HIS 73 Cb 0.69 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.03 1sg7 h HIS 73 CO -0.22 0.06 0.44 0.87 -0.00 0.00 0.00 177.93 179.07 1sg7 h LYS 74 N 0.25 0.82 0.51 2.45 1.57 0.19 -1.11 116.57 121.25 1sg7 h LYS 74 Ca 0.18 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1sg7 h LYS 74 Cb 0.18 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1sg7 h LYS 74 CO -0.21 0.54 -0.25 0.28 -0.57 0.00 0.00 179.45 179.25 1sg7 h VAL 75 N 0.85 0.23 -0.75 0.50 2.07 0.12 -2.53 116.25 116.73 1sg7 h VAL 75 Ca 0.29 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1sg7 h VAL 75 Cb 0.05 0.34 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 1sg7 h VAL 75 CO -0.12 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.55 1sg7 h ALA 76 N -0.91 0.82 -0.89 1.67 0.00 0.30 0.57 119.26 120.82 1sg7 h ALA 76 Ca -0.07 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sg7 h ALA 76 Cb 0.60 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1sg7 h ALA 76 CO 0.12 -0.42 0.57 -1.49 0.00 0.00 0.00 179.25 178.03 1sg7 h TRP 77 N 0.13 1.07 -0.66 0.00 4.06 -1.24 0.77 115.95 120.08 1sg7 h TRP 77 Ca 0.41 0.03 0.12 0.00 2.06 0.00 0.00 58.89 61.51 1sg7 h TRP 77 Cb 0.73 -0.35 -0.09 0.00 -1.00 0.00 0.00 29.16 28.45 1sg7 h TRP 77 CO -0.39 0.60 0.22 0.00 -3.56 0.00 0.00 178.44 175.30 1sg7 h ALA 78 N 1.38 0.86 -0.31 1.49 0.00 0.57 1.52 119.26 124.76 1sg7 h ALA 78 Ca 0.36 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1sg7 h ALA 78 Cb 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sg7 h ALA 78 CO -0.13 -0.24 0.08 0.00 0.00 0.00 0.00 179.25 178.96 1sg7 h ALA 79 N 1.49 0.41 -0.28 0.00 0.00 -0.44 -1.47 119.26 118.99 1sg7 h ALA 79 Ca 0.35 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sg7 h ALA 79 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sg7 h ALA 79 CO -0.38 0.07 0.15 0.28 0.00 0.00 0.00 179.25 179.37 1sg7 h VAL 80 N 0.35 1.01 0.00 0.00 2.07 0.13 -0.24 116.25 119.57 1sg7 h VAL 80 Ca 0.10 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1sg7 h VAL 80 Cb 0.28 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1sg7 h VAL 80 CO 0.00 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.94 1sg7 n LYS 81 N -4.95 0.19 -0.05 1.57 5.02 0.50 0.29 118.16 120.73 1sg7 n LYS 81 Ca -0.01 0.50 -0.20 0.00 -2.02 0.00 0.00 58.31 56.58 1sg7 n LYS 81 Cb 0.06 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.02 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 0.18 0.00 2.13 2.76 -0.07 -3.38 115.15 116.77 1sg7 h HIS 82 Ca 0.00 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1sg7 h HIS 82 Cb 0.26 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1sg7 h HIS 82 CO 0.00 1.40 -1.07 0.39 -1.30 0.00 0.00 177.93 177.35 1sg7 n GLU 83 N -4.27 0.27 -4.15 5.26 1.02 -0.24 -4.07 120.64 114.46 1sg7 n GLU 83 Ca -0.24 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.73 1sg7 n GLU 83 Cb 0.72 -1.58 -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 -3.19 0.86 0.06 -0.32 1.51 0.84 0.28 117.35 117.38 1sg7 s TYR 84 Ca 0.04 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1sg7 s TYR 84 Cb 0.15 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 1sg7 s TYR 84 CO 0.81 -0.02 -0.23 0.00 -1.11 0.00 0.00 175.55 175.00 1sg7 s ALA 85 N -1.11 1.96 -0.27 3.71 0.00 0.37 -3.48 121.76 122.94 1sg7 s ALA 85 Ca -0.05 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 1sg7 s ALA 85 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1sg7 s ALA 85 CO 0.01 0.44 0.55 0.21 0.00 0.00 0.00 175.76 176.97 1sg7 s LYS 86 N -1.35 4.01 0.06 0.00 2.20 -1.26 0.12 119.74 123.53 1sg7 s LYS 86 Ca 0.09 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1sg7 s LYS 86 Cb -0.09 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1sg7 s LYS 86 CO 0.02 -0.42 0.04 0.41 -0.36 0.00 0.00 175.35 175.05 1sg7 n GLY 87 N 4.41 -3.38 1.18 5.54 0.00 0.15 -4.81 105.19 108.28 1sg7 n GLY 87 Ca -0.03 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.12 3.40 0.00 1.61 5.68 -1.26 -4.40 116.55 118.45 1sg7 n ASP 88 Ca 0.01 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 1sg7 n ASP 88 Cb 0.03 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 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 0.45 0.00 -0.52 -1.12 9.92 -1.26 -5.05 116.55 118.97 1sg7 n ASP 89 Ca 0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.31 1sg7 n ASP 89 Cb 0.61 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.41 -0.20 -4.35 -2.24 2.03 -1.26 -5.15 116.55 104.97 1sg7 n ASP 90 Ca 0.00 -0.45 -0.20 0.00 0.52 0.00 0.00 54.79 54.66 1sg7 n ASP 90 Cb 0.00 0.06 -0.10 0.00 -0.72 0.00 0.00 41.12 40.36 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 0.00 1.35 0.22 -0.67 1.02 -1.26 -4.74 119.74 115.66 1sg7 s LYS 91 Ca 0.00 -1.56 0.11 0.00 0.02 0.00 0.00 55.97 54.54 1sg7 s LYS 91 Cb 0.00 -1.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.02 1sg7 s LYS 91 CO 0.00 0.22 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.89 1sg7 s TRP 92 N -2.66 2.38 -0.05 3.18 0.52 0.06 0.31 118.94 122.68 1sg7 s TRP 92 Ca 0.21 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.97 1sg7 s TRP 92 Cb -0.03 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.18 1sg7 s TRP 92 CO 0.08 0.58 0.15 -3.38 0.02 0.00 0.00 176.95 174.39 1sg7 s HIS 93 N -1.97 -0.15 0.01 -1.98 -3.43 0.33 -4.02 115.29 104.07 1sg7 s HIS 93 Ca 0.25 0.37 -0.32 0.00 -0.80 0.00 0.00 55.06 54.55 1sg7 s HIS 93 Cb -0.07 0.05 -0.11 0.00 -1.43 0.00 0.00 32.58 31.02 1sg7 s HIS 93 CO 0.13 -0.09 1.87 1.17 -2.00 0.00 0.00 174.74 175.83 1sg7 n LYS 94 N 2.93 2.49 0.00 -0.38 4.81 -1.26 0.14 118.16 126.90 1sg7 n LYS 94 Ca -0.13 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1sg7 n LYS 94 Cb 0.59 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 6.40 0.00 0.00 1.64 4.76 0.79 -4.80 118.16 126.95 1sg7 n LYS 95 Ca 0.20 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.80 1sg7 n LYS 95 Cb 0.34 -0.36 0.94 0.00 -1.84 0.00 0.00 35.03 34.11 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46