#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 2.50 0.00 6.00 2.02 -1.26 -4.82 117.35 121.79 1sg7 s TYR 23 Ca 0.00 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1sg7 s TYR 23 Cb 0.00 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 1sg7 s TYR 23 CO 0.00 0.19 0.00 1.63 -1.57 0.00 0.00 175.55 175.80 1sg7 n LYS 24 N 1.75 0.58 0.05 -0.62 4.76 -1.26 -5.00 118.16 118.41 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 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 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 -2.37 0.53 0.00 -0.18 -2.24 -1.26 -5.09 114.28 103.68 1sg7 n THR 25 Ca 0.00 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1sg7 n THR 25 Cb 0.47 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 -3.09 0.00 0.28 -0.78 4.81 -1.26 -4.88 118.16 113.24 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 0.00 0.00 0.97 0.00 0.02 0.00 0.00 35.03 36.02 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 0.59 3.14 0.02 -1.98 -0.53 113.55 114.78 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 -3.11 3.07 3.32 -1.92 -3.45 116.42 114.33 1sg7 h ASP 28 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1sg7 h ASP 28 Cb 0.08 0.00 0.22 0.00 0.22 0.00 0.00 39.33 39.85 1sg7 h ASP 28 CO 0.00 0.00 -0.51 0.18 -1.72 0.00 0.00 179.24 177.19 1sg7 n LEU 29 N -2.58 -0.70 -4.77 1.55 4.77 -0.21 -4.82 117.00 110.24 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 0.19 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 1sg7 n LEU 29 CO 0.20 -3.16 0.99 -2.84 -1.33 0.00 0.00 177.39 171.25 1sg7 s PRO 30 N -3.89 4.35 0.19 3.23 0.02 -1.26 -4.74 135.00 132.90 1sg7 s PRO 30 Ca 0.61 2.21 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 1sg7 s PRO 30 Cb -0.19 -3.08 0.16 0.00 0.02 0.00 0.00 34.50 31.41 1sg7 s PRO 30 CO 0.65 -0.21 1.65 1.05 -0.33 0.00 0.00 177.00 179.81 1sg7 h GLU 31 N 3.67 0.00 0.00 5.54 4.11 -1.93 1.01 114.58 126.98 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 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sg7 h GLU 31 CO 0.67 0.00 0.00 0.45 0.07 0.00 0.00 179.01 180.21 1sg7 n SER 32 N -5.36 0.39 -0.12 3.06 2.88 -1.26 0.11 113.62 113.32 1sg7 n SER 32 Ca 0.05 0.68 -0.22 0.00 -1.33 0.00 0.00 58.87 58.05 1sg7 n SER 32 Cb 0.27 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 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 -2.02 1.52 0.22 2.46 0.31 0.30 -4.25 118.33 116.86 1sg7 n VAL 33 Ca -0.01 -0.15 0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1sg7 n VAL 33 Cb 0.02 -2.05 0.50 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.41 5.55 1.57 0.44 0.38 116.57 123.09 1sg7 h LYS 34 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1sg7 h LYS 34 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1sg7 h LYS 34 CO -0.26 0.26 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1sg7 n HIS 35 N -3.85 0.17 0.00 -1.35 8.25 0.31 -3.65 115.22 115.10 1sg7 n HIS 35 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1sg7 n HIS 35 Cb 0.35 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.12 0.00 -3.06 1.59 0.24 -0.86 -4.93 118.33 111.20 1sg7 n VAL 36 Ca 0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.94 1sg7 n VAL 36 Cb 0.18 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.75 4.33 0.00 1.34 1.02 0.13 -0.52 118.68 124.23 1sg7 s LEU 37 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.35 1sg7 s LEU 37 Cb 0.00 -3.07 0.00 0.00 0.02 0.00 0.00 46.19 43.14 1sg7 s LEU 37 CO 0.00 -0.09 0.34 -2.65 0.02 0.00 0.00 176.35 173.97 1sg7 n PRO 38 N 3.63 0.00 0.00 1.29 -0.02 -1.26 -4.81 135.00 133.83 1sg7 n PRO 38 Ca -0.02 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 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 0.43 1.98 0.00 0.00 175.50 177.91 1sg7 n SER 39 N -0.40 0.00 0.12 2.55 7.64 -1.26 -4.88 113.62 117.39 1sg7 n SER 39 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1sg7 n SER 39 Cb 0.00 0.11 0.45 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.84 0.58 0.11 1.43 -0.00 -1.26 -1.43 115.22 112.80 1sg7 n HIS 40 Ca 0.00 0.29 -0.02 0.00 -0.00 0.00 0.00 57.72 57.98 1sg7 n HIS 40 Cb 0.00 -0.96 0.19 0.00 -0.00 0.00 0.00 29.99 29.22 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 2.06 1.03 -0.23 1.57 0.00 -1.92 -0.59 119.26 121.18 1sg7 h ALA 41 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1sg7 h ALA 41 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sg7 h ALA 41 CO 0.00 0.65 -0.57 1.96 0.00 0.00 0.00 179.25 181.30 1sg7 h GLN 42 N 0.14 0.70 -0.48 0.00 4.20 -1.58 1.09 115.11 119.18 1sg7 h GLN 42 Ca 0.00 -0.46 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 1sg7 h GLN 42 Cb 0.94 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1sg7 h GLN 42 CO 0.07 1.08 -0.11 0.22 -0.67 0.00 0.00 178.83 179.43 1sg7 h ASP 43 N 0.53 0.93 0.43 1.46 3.58 -1.58 0.63 116.42 122.41 1sg7 h ASP 43 Ca 0.01 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 1sg7 h ASP 43 Cb 1.15 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1sg7 h ASP 43 CO 0.12 1.07 -0.21 0.40 -2.88 0.00 0.00 179.24 177.74 1sg7 h ILE 44 N 0.78 0.57 0.21 2.25 2.04 -0.89 0.26 117.51 122.73 1sg7 h ILE 44 Ca 0.12 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1sg7 h ILE 44 Cb 0.66 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1sg7 h ILE 44 CO 0.05 0.03 -0.41 0.22 0.00 0.00 0.00 178.15 178.03 1sg7 h TYR 45 N -0.67 -1.17 -0.21 1.37 5.03 0.14 0.45 116.97 121.91 1sg7 h TYR 45 Ca -0.06 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1sg7 h TYR 45 Cb 0.49 0.48 -0.06 0.00 1.55 0.00 0.00 36.73 39.20 1sg7 h TYR 45 CO -0.03 -0.50 -0.16 -0.22 -1.32 0.00 0.00 178.16 175.93 1sg7 h LYS 46 N -0.68 -0.16 -0.78 1.82 3.64 0.27 0.84 116.57 121.52 1sg7 h LYS 46 Ca -0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1sg7 h LYS 46 Cb 0.64 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1sg7 h LYS 46 CO -0.16 -0.11 0.48 0.93 -2.27 0.00 0.00 179.45 178.32 1sg7 h GLU 47 N -0.17 1.04 -0.14 1.90 4.39 -0.29 0.28 114.58 121.58 1sg7 h GLU 47 Ca 0.12 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 1sg7 h GLU 47 Cb 0.35 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1sg7 h GLU 47 CO -0.31 0.72 -0.65 0.00 -1.16 0.00 0.00 179.01 177.61 1sg7 h ALA 48 N 1.46 0.27 0.07 3.43 0.00 0.70 -2.66 119.26 122.54 1sg7 h ALA 48 Ca 0.28 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sg7 h ALA 48 Cb -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sg7 h ALA 48 CO -0.05 0.56 -0.04 0.35 0.00 0.00 0.00 179.25 180.07 1sg7 h PHE 49 N 0.39 -0.11 -0.77 0.00 3.04 0.12 -2.47 116.94 117.15 1sg7 h PHE 49 Ca -0.04 -0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.03 1sg7 h PHE 49 Cb 1.29 0.04 -0.09 0.00 2.56 0.00 0.00 35.95 39.75 1sg7 h PHE 49 CO 0.10 -0.07 0.36 -0.91 -2.02 0.00 0.00 178.31 175.77 1sg7 h ASN 50 N -0.11 0.41 -0.40 0.41 -0.26 -0.49 0.17 115.58 115.31 1sg7 h ASN 50 Ca -0.01 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1sg7 h ASN 50 Cb 0.09 0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.33 1sg7 h ASN 50 CO 0.01 0.19 0.12 -1.28 -1.06 0.00 0.00 177.43 175.41 1sg7 h SER 51 N 0.55 0.10 0.41 5.81 0.87 -1.09 0.40 113.55 120.59 1sg7 h SER 51 Ca 0.40 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.93 1sg7 h SER 51 Cb 0.54 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1sg7 h SER 51 CO -0.34 0.09 -0.43 0.00 -0.53 0.00 0.00 176.83 175.62 1sg7 h ALA 52 N 1.28 1.27 0.31 6.23 0.00 -0.81 0.32 119.26 127.86 1sg7 h ALA 52 Ca 0.19 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1sg7 h ALA 52 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sg7 h ALA 52 CO -0.21 0.54 -0.15 2.35 0.00 0.00 0.00 179.25 181.78 1sg7 h TRP 53 N 0.02 -0.39 -0.14 0.00 7.01 0.81 0.17 115.95 123.43 1sg7 h TRP 53 Ca -0.00 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 1sg7 h TRP 53 Cb 0.77 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1sg7 h TRP 53 CO 0.00 -0.05 -0.19 0.22 -2.79 0.00 0.00 178.44 175.62 1sg7 h ASP 54 N -0.77 0.23 0.54 2.65 3.58 -0.19 -1.20 116.42 121.27 1sg7 h ASP 54 Ca -0.04 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1sg7 h ASP 54 Cb 0.51 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1sg7 h ASP 54 CO 0.07 0.44 -0.26 1.56 -2.88 0.00 0.00 179.24 178.18 1sg7 h GLN 55 N 0.22 0.00 -2.93 0.28 4.20 -0.25 -3.26 115.11 113.37 1sg7 h GLN 55 Ca 0.04 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.32 1sg7 h GLN 55 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sg7 h GLN 55 CO 0.03 0.26 2.34 0.98 -0.67 0.00 0.00 178.83 181.77 1sg7 n TYR 56 N -3.72 1.41 1.77 2.96 9.36 0.04 -4.46 117.16 124.52 1sg7 n TYR 56 Ca -0.01 -2.21 0.10 0.00 3.32 0.00 0.00 57.90 59.10 1sg7 n TYR 56 Cb 0.37 -1.91 0.52 0.00 -0.63 0.00 0.00 39.34 37.68 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 3.52 1.22 -0.02 2.98 4.76 -1.23 -3.46 118.16 125.93 1sg7 n LYS 57 Ca 0.55 -0.33 -0.21 0.00 -2.87 0.00 0.00 58.31 55.45 1sg7 n LYS 57 Cb 0.34 -1.33 -0.14 0.00 -1.84 0.00 0.00 35.03 32.06 1sg7 n LYS 57 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sg7 n ASP 58 N -0.46 2.08 -2.64 4.39 2.03 -1.26 -4.31 116.55 116.39 1sg7 n ASP 58 Ca 0.15 0.16 -0.36 0.00 0.52 0.00 0.00 54.79 55.26 1sg7 n ASP 58 Cb 0.15 -0.78 0.05 0.00 -0.72 0.00 0.00 41.12 39.82 1sg7 n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sg7 n LYS 59 N -3.44 2.67 0.03 -0.67 3.00 -1.22 -4.50 118.16 114.03 1sg7 n LYS 59 Ca -0.34 -3.29 -0.20 0.00 -0.00 0.00 0.00 58.31 54.49 1sg7 n LYS 59 Cb 1.04 -2.24 -0.14 0.00 0.00 0.00 0.00 35.03 33.68 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 2.57 0.28 -0.49 1.64 4.11 -1.75 -3.36 114.58 117.57 1sg7 h GLU 60 Ca 0.56 -0.47 -0.15 0.00 0.07 0.00 0.00 59.36 59.37 1sg7 h GLU 60 Cb 0.39 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1sg7 h GLU 60 CO 1.44 1.16 0.11 -0.25 0.07 0.00 0.00 179.01 181.53 1sg7 n ASP 61 N -3.46 3.87 -4.72 3.06 9.92 -1.26 -4.97 116.55 118.98 1sg7 n ASP 61 Ca -0.26 -3.32 -0.34 0.00 -0.53 0.00 0.00 54.79 50.34 1sg7 n ASP 61 Cb 1.06 -0.66 -0.09 0.00 -0.64 0.00 0.00 41.12 40.79 1sg7 n ASP 61 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1sg7 s ARG 62 N -3.02 2.98 0.55 -1.24 1.81 -1.26 -4.99 118.95 113.78 1sg7 s ARG 62 Ca 0.48 -0.45 0.33 0.00 -1.72 0.00 0.00 55.73 54.37 1sg7 s ARG 62 Cb 0.40 -2.80 1.56 0.00 -0.45 0.00 0.00 34.95 33.66 1sg7 s ARG 62 CO 0.08 0.68 2.07 0.07 -0.68 0.00 0.00 175.30 177.52 1sg7 h ARG 63 N 4.72 0.00 -1.85 3.54 0.11 -1.93 -3.13 114.38 115.84 1sg7 h ARG 63 Ca -0.50 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.24 1sg7 h ARG 63 Cb 1.19 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.14 1sg7 h ARG 63 CO 0.57 0.06 0.22 -0.40 0.10 0.00 0.00 179.97 180.52 1sg7 n ASP 64 N -3.28 6.14 0.25 0.08 5.75 -1.26 -4.55 116.55 119.69 1sg7 n ASP 64 Ca -0.01 -2.95 0.17 0.00 -0.01 0.00 0.00 54.79 51.98 1sg7 n ASP 64 Cb 0.25 -1.20 0.89 0.00 -1.03 0.00 0.00 41.12 40.03 1sg7 n ASP 64 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1sg7 h ASP 65 N 2.33 0.00 -0.91 -1.12 3.32 -1.83 -0.57 116.42 117.65 1sg7 h ASP 65 Ca 0.29 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.45 1sg7 h ASP 65 Cb 0.95 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 1sg7 h ASP 65 CO 0.64 0.00 0.54 0.00 -1.72 0.00 0.00 179.24 178.70 1sg7 h ALA 66 N 1.85 1.33 -0.46 3.45 0.00 -1.92 0.43 119.26 123.94 1sg7 h ALA 66 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1sg7 h ALA 66 Cb 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1sg7 h ALA 66 CO -0.00 0.14 0.05 1.03 0.00 0.00 0.00 179.25 180.47 1sg7 h SER 67 N 0.87 -0.09 0.37 0.00 0.87 -1.48 1.39 113.55 115.47 1sg7 h SER 67 Ca 0.45 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 61.09 1sg7 h SER 67 Cb 0.44 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1sg7 h SER 67 CO -0.26 -0.01 -0.40 -0.09 -0.53 0.00 0.00 176.83 175.53 1sg7 h ARG 68 N 0.17 -0.75 -0.66 2.24 1.12 -1.06 0.60 114.38 116.05 1sg7 h ARG 68 Ca 0.23 0.05 0.14 0.00 -1.11 0.00 0.00 59.98 59.29 1sg7 h ARG 68 Cb 0.32 0.17 -0.11 0.00 -0.01 0.00 0.00 29.97 30.35 1sg7 h ARG 68 CO -0.34 -0.50 0.06 1.49 -3.11 0.00 0.00 179.97 177.57 1sg7 h GLU 69 N -0.77 0.16 0.16 0.20 4.81 -0.54 0.11 114.58 118.72 1sg7 h GLU 69 Ca -0.05 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1sg7 h GLU 69 Cb 0.68 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1sg7 h GLU 69 CO -0.07 0.11 -0.48 1.49 -0.73 0.00 0.00 179.01 179.33 1sg7 h GLU 70 N 0.17 -0.71 -0.36 1.92 4.57 0.25 0.20 114.58 120.62 1sg7 h GLU 70 Ca 0.35 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.66 1sg7 h GLU 70 Cb 0.58 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.25 1sg7 h GLU 70 CO -0.52 -0.48 -0.21 1.15 -1.18 0.00 0.00 179.01 177.77 1sg7 h THR 71 N -0.74 0.41 -0.80 0.32 2.02 0.17 0.21 112.91 114.50 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 0.74 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1sg7 h THR 71 CO -0.24 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.02 1sg7 h ALA 72 N 1.05 1.17 -0.40 6.16 0.00 -0.26 0.68 119.26 127.67 1sg7 h ALA 72 Ca 0.18 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1sg7 h ALA 72 Cb 0.43 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1sg7 h ALA 72 CO -0.46 -0.15 0.05 0.45 0.00 0.00 0.00 179.25 179.15 1sg7 h HIS 73 N 0.54 0.07 -0.73 0.00 -0.00 0.23 0.78 115.15 116.04 1sg7 h HIS 73 Ca 0.44 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.83 1sg7 h HIS 73 Cb 0.64 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.04 1sg7 h HIS 73 CO -0.12 -0.02 0.44 0.87 -0.00 0.00 0.00 177.93 179.09 1sg7 h LYS 74 N 0.17 0.99 0.51 2.45 6.56 0.21 -1.58 116.57 125.88 1sg7 h LYS 74 Ca 0.19 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 1sg7 h LYS 74 Cb 0.25 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1sg7 h LYS 74 CO -0.28 0.70 -0.24 0.28 -2.06 0.00 0.00 179.45 177.84 1sg7 h VAL 75 N 1.00 0.24 -0.76 0.50 2.07 0.13 -2.23 116.25 117.19 1sg7 h VAL 75 Ca 0.26 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.47 1sg7 h VAL 75 Cb -0.04 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 1sg7 h VAL 75 CO -0.05 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 1sg7 h ALA 76 N -0.89 0.77 -0.65 1.67 0.00 0.56 0.58 119.26 121.30 1sg7 h ALA 76 Ca -0.07 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1sg7 h ALA 76 Cb 0.59 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1sg7 h ALA 76 CO 0.11 -0.43 0.38 -1.49 0.00 0.00 0.00 179.25 177.83 1sg7 h TRP 77 N 0.09 0.71 -0.82 0.00 4.06 -1.31 0.28 115.95 118.96 1sg7 h TRP 77 Ca 0.41 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.57 1sg7 h TRP 77 Cb 0.73 -0.23 -0.11 0.00 -1.00 0.00 0.00 29.16 28.55 1sg7 h TRP 77 CO -0.44 0.38 0.32 0.00 -3.56 0.00 0.00 178.44 175.14 1sg7 h ALA 78 N 1.30 1.22 -0.39 1.49 0.00 0.78 1.58 119.26 125.24 1sg7 h ALA 78 Ca 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1sg7 h ALA 78 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sg7 h ALA 78 CO -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 179.25 178.82 1sg7 h ALA 79 N 1.64 0.53 0.04 0.00 0.00 -0.42 -2.10 119.26 118.95 1sg7 h ALA 79 Ca 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sg7 h ALA 79 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sg7 h ALA 79 CO -0.49 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.34 1sg7 h VAL 80 N 0.52 1.00 0.00 0.00 2.07 0.19 -1.08 116.25 118.95 1sg7 h VAL 80 Ca 0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1sg7 h VAL 80 Cb 0.48 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1sg7 h VAL 80 CO 0.02 0.03 0.00 0.29 0.02 0.00 0.00 177.57 177.93 1sg7 n LYS 81 N -5.09 0.14 -0.06 1.57 5.02 0.49 0.28 118.16 120.51 1sg7 n LYS 81 Ca -0.07 0.52 -0.20 0.00 -2.02 0.00 0.00 58.31 56.53 1sg7 n LYS 81 Cb 0.07 -1.85 -0.13 0.00 -0.02 0.00 0.00 35.03 33.10 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 0.14 0.00 2.13 2.76 -0.63 -3.38 115.15 116.17 1sg7 h HIS 82 Ca 0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1sg7 h HIS 82 Cb 0.16 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1sg7 h HIS 82 CO 0.00 1.41 -1.04 0.39 -1.30 0.00 0.00 177.93 177.39 1sg7 n GLU 83 N -4.30 0.27 -4.14 5.26 1.02 -0.49 -4.16 120.64 114.10 1sg7 n GLU 83 Ca -0.25 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 1sg7 n GLU 83 Cb 0.71 -1.58 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.97 0.01 -0.32 1.51 0.80 0.28 117.35 117.42 1sg7 s TYR 84 Ca 0.04 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.72 1sg7 s TYR 84 Cb 0.15 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1sg7 s TYR 84 CO 0.81 -0.00 -0.22 0.00 -1.11 0.00 0.00 175.55 175.02 1sg7 s ALA 85 N -1.24 1.86 -0.26 3.71 0.00 0.34 -3.53 121.76 122.65 1sg7 s ALA 85 Ca -0.05 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 1sg7 s ALA 85 Cb -0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1sg7 s ALA 85 CO 0.01 0.44 0.63 0.21 0.00 0.00 0.00 175.76 177.05 1sg7 s LYS 86 N -0.86 4.08 0.27 0.00 2.20 -1.26 0.12 119.74 124.28 1sg7 s LYS 86 Ca 0.09 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1sg7 s LYS 86 Cb -0.09 -3.66 0.07 0.00 -1.51 0.00 0.00 37.83 32.64 1sg7 s LYS 86 CO 0.01 -0.44 0.17 0.41 -0.36 0.00 0.00 175.35 175.14 1sg7 n GLY 87 N 4.21 -3.54 1.33 5.54 0.00 0.20 -4.80 105.19 108.12 1sg7 n GLY 87 Ca -0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.50 3.93 0.00 1.61 5.68 -1.26 -4.37 116.55 118.63 1sg7 n ASP 88 Ca 0.03 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 1sg7 n ASP 88 Cb 0.11 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 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 0.52 0.00 -0.52 -1.12 8.00 -1.26 -5.05 116.55 117.12 1sg7 n ASP 89 Ca 0.09 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.59 1sg7 n ASP 89 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.59 -0.11 -4.31 -2.24 8.00 -1.26 -5.15 116.55 110.89 1sg7 n ASP 90 Ca 0.00 -0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.09 1sg7 n ASP 90 Cb 0.00 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.00 1.24 0.20 -1.24 1.02 -1.26 -4.74 119.74 114.96 1sg7 s LYS 91 Ca 0.00 -1.54 0.10 0.00 0.02 0.00 0.00 55.97 54.55 1sg7 s LYS 91 Cb 0.00 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1sg7 s LYS 91 CO 0.00 0.15 -0.15 -1.58 -0.92 0.00 0.00 175.35 172.85 1sg7 s TRP 92 N -3.09 2.49 -0.04 3.18 0.52 0.32 0.61 118.94 122.93 1sg7 s TRP 92 Ca 0.21 -0.28 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 1sg7 s TRP 92 Cb 0.00 -1.20 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1sg7 s TRP 92 CO 0.05 0.54 0.09 -3.38 0.02 0.00 0.00 176.95 174.27 1sg7 s HIS 93 N -1.84 -0.09 -0.01 -1.98 -3.43 0.33 -4.16 115.29 104.11 1sg7 s HIS 93 Ca 0.25 0.29 -0.33 0.00 -0.80 0.00 0.00 55.06 54.46 1sg7 s HIS 93 Cb -0.08 -0.05 -0.11 0.00 -1.43 0.00 0.00 32.58 30.91 1sg7 s HIS 93 CO 0.14 -0.09 1.85 1.17 -2.00 0.00 0.00 174.74 175.81 1sg7 n LYS 94 N 3.57 2.35 0.00 -0.38 4.81 -1.26 0.13 118.16 127.38 1sg7 n LYS 94 Ca -0.19 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1sg7 n LYS 94 Cb 0.56 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.89 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 6.26 0.00 0.00 1.64 4.76 0.81 -4.80 118.16 126.83 1sg7 n LYS 95 Ca 0.21 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.72 1sg7 n LYS 95 Cb 0.32 -0.37 0.44 0.00 -1.84 0.00 0.00 35.03 33.58 1sg7 n LYS 95 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48