#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gl9 s LYS 3 N 0.00 3.61 -0.06 -1.46 1.02 -1.26 -4.82 119.74 116.77 3gl9 s LYS 3 Ca 0.00 1.46 0.05 0.00 0.02 0.00 0.00 55.97 57.50 3gl9 s LYS 3 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 3gl9 s LYS 3 CO 0.00 -0.61 -0.23 0.15 -0.92 0.00 0.00 175.35 173.74 3gl9 s LYS 4 N -3.28 2.50 -0.13 1.68 1.02 -1.26 -1.45 119.74 118.82 3gl9 s LYS 4 Ca 0.69 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.86 3gl9 s LYS 4 Cb -0.19 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3gl9 s LYS 4 CO 0.23 0.32 -0.22 0.08 -0.92 0.00 0.00 175.35 174.84 3gl9 s VAL 5 N -0.03 2.17 -0.22 3.17 1.01 0.28 -1.02 120.40 125.75 3gl9 s VAL 5 Ca -0.06 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 3gl9 s VAL 5 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3gl9 s VAL 5 CO 0.04 0.55 0.61 -0.22 0.00 0.00 0.00 175.10 176.08 3gl9 s LEU 6 N 0.64 4.11 -0.30 3.92 2.96 0.05 -0.54 118.68 129.51 3gl9 s LEU 6 Ca -0.11 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3gl9 s LEU 6 Cb -0.16 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.72 3gl9 s LEU 6 CO 0.02 -0.30 0.04 -0.22 -1.32 0.00 0.00 176.35 174.57 3gl9 s LEU 7 N 2.13 3.84 -0.29 -0.68 0.20 0.21 -0.90 118.68 123.19 3gl9 s LEU 7 Ca 0.27 -0.99 0.01 0.00 0.69 0.00 0.00 54.13 54.10 3gl9 s LEU 7 Cb -0.16 -1.79 0.06 0.00 -0.43 0.00 0.00 46.19 43.87 3gl9 s LEU 7 CO 0.09 -0.23 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.20 3gl9 s VAL 8 N 1.38 2.63 -0.28 1.68 1.01 0.47 -1.13 120.40 126.15 3gl9 s VAL 8 Ca -0.01 -1.59 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 3gl9 s VAL 8 Cb -0.18 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.75 3gl9 s VAL 8 CO 0.00 -0.14 1.00 -0.62 0.00 0.00 0.00 175.10 175.34 3gl9 s ASP 9 N 1.20 -0.48 0.00 3.32 -1.08 -0.78 -4.32 116.67 114.52 3gl9 s ASP 9 Ca -0.05 0.90 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 3gl9 s ASP 9 Cb -0.20 0.95 1.17 0.00 -1.46 0.00 0.00 42.92 43.38 3gl9 s ASP 9 CO -0.03 -0.15 1.88 -0.90 0.52 0.00 0.00 175.17 176.48 3gl9 n ASP 10 N 2.45 0.01 -4.56 -0.34 5.75 -1.19 -4.30 116.55 114.37 3gl9 n ASP 10 Ca -0.13 0.50 -0.42 0.00 -0.01 0.00 0.00 54.79 54.73 3gl9 n ASP 10 Cb 0.56 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 3gl9 n ASP 10 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3gl9 s SER 11 N -3.01 6.40 0.40 -1.12 0.15 -1.26 -4.94 113.70 110.31 3gl9 s SER 11 Ca 0.13 0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.90 3gl9 s SER 11 Cb 0.18 -2.32 0.84 0.00 -1.71 0.00 0.00 66.02 63.01 3gl9 s SER 11 CO 0.50 -0.62 2.01 0.00 1.20 0.00 0.00 173.24 176.34 3gl9 h ALA 12 N 8.54 1.64 -0.06 5.45 0.00 -1.99 -0.83 119.26 132.01 3gl9 h ALA 12 Ca -0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gl9 h ALA 12 Cb 1.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gl9 h ALA 12 CO 0.84 0.29 0.03 0.28 0.00 0.00 0.00 179.25 180.69 3gl9 h VAL 13 N 0.45 1.09 -0.11 0.00 2.07 -1.99 -1.44 116.25 116.33 3gl9 h VAL 13 Ca 0.11 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3gl9 h VAL 13 Cb 0.08 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3gl9 h VAL 13 CO -0.01 0.08 -0.00 0.25 0.02 0.00 0.00 177.57 177.90 3gl9 h LEU 14 N -0.01 -0.04 -1.14 2.57 7.12 -1.90 -2.84 115.31 119.07 3gl9 h LEU 14 Ca 0.02 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.06 3gl9 h LEU 14 Cb 0.10 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 3gl9 h LEU 14 CO -0.00 -0.01 0.53 0.03 -0.13 0.00 0.00 178.44 178.86 3gl9 h ARG 15 N 0.03 1.12 -0.52 1.25 3.08 -0.95 -1.09 114.38 117.30 3gl9 h ARG 15 Ca 0.05 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3gl9 h ARG 15 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3gl9 h ARG 15 CO -0.08 0.76 0.26 -0.22 -1.07 0.00 0.00 179.97 179.61 3gl9 h LYS 16 N 1.14 0.75 -0.07 0.04 3.64 -1.15 0.63 116.57 121.55 3gl9 h LYS 16 Ca 0.30 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3gl9 h LYS 16 Cb -0.09 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3gl9 h LYS 16 CO -0.06 0.61 -0.02 0.82 -2.27 0.00 0.00 179.45 178.53 3gl9 h ILE 17 N 0.70 1.30 -0.52 2.00 2.04 -1.17 -1.92 117.51 119.95 3gl9 h ILE 17 Ca 0.18 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3gl9 h ILE 17 Cb 0.11 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3gl9 h ILE 17 CO -0.02 0.26 -0.01 0.58 0.00 0.00 0.00 178.15 178.97 3gl9 h VAL 18 N -0.22 1.26 -0.40 1.67 2.07 -1.19 -1.38 116.25 118.07 3gl9 h VAL 18 Ca 0.02 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3gl9 h VAL 18 Cb 0.43 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3gl9 h VAL 18 CO 0.01 0.39 0.24 -1.28 0.02 0.00 0.00 177.57 176.95 3gl9 h SER 19 N 0.78 0.41 0.01 0.57 0.87 -0.87 -0.45 113.55 114.87 3gl9 h SER 19 Ca 0.15 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3gl9 h SER 19 Cb 0.53 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 3gl9 h SER 19 CO 0.03 0.29 -0.31 0.15 -0.53 0.00 0.00 176.83 176.46 3gl9 h PHE 20 N 0.50 -0.85 -0.62 2.24 3.57 -1.20 0.28 116.94 120.85 3gl9 h PHE 20 Ca 0.15 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.78 3gl9 h PHE 20 Cb -0.02 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 3gl9 h PHE 20 CO -0.06 -0.41 0.23 -0.91 -2.23 0.00 0.00 178.31 174.93 3gl9 h ASN 21 N -0.47 0.22 -0.28 0.41 2.35 -0.98 -1.52 115.58 115.31 3gl9 h ASN 21 Ca 0.06 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3gl9 h ASN 21 Cb 0.55 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3gl9 h ASN 21 CO -0.26 0.13 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.45 3gl9 h LEU 22 N 0.40 0.60 -1.04 1.61 4.07 -0.76 -3.20 115.31 116.98 3gl9 h LEU 22 Ca 0.32 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 3gl9 h LEU 22 Cb 0.41 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3gl9 h LEU 22 CO -0.32 0.87 -0.19 0.11 -1.08 0.00 0.00 178.44 177.83 3gl9 h LYS 23 N 0.32 0.46 0.00 1.13 1.57 -0.19 -2.13 116.57 117.73 3gl9 h LYS 23 Ca 0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3gl9 h LYS 23 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3gl9 h LYS 23 CO 0.04 0.63 -0.03 0.87 -0.57 0.00 0.00 179.45 180.40 3gl9 h LYS 24 N 0.42 0.00 -0.01 3.15 1.79 -1.28 0.15 116.57 120.78 3gl9 h LYS 24 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3gl9 h LYS 24 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3gl9 h LYS 24 CO 0.04 0.03 -0.01 0.39 -1.08 0.00 0.00 179.45 178.81 3gl9 n GLU 25 N -3.47 1.56 -0.55 3.15 -0.58 -0.83 -4.94 120.64 114.97 3gl9 n GLU 25 Ca -0.02 -0.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 3gl9 n GLU 25 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 3gl9 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gl9 n GLY 26 N 1.17 0.73 3.86 0.62 0.00 0.53 -4.97 105.19 107.13 3gl9 n GLY 26 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3gl9 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gl9 s TYR 27 N -2.09 3.41 0.15 1.61 2.02 -1.03 -1.35 117.35 120.07 3gl9 s TYR 27 Ca 0.00 1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 57.61 3gl9 s TYR 27 Cb 0.00 -2.43 -0.07 0.00 -0.40 0.00 0.00 41.96 39.06 3gl9 s TYR 27 CO 0.00 0.09 0.60 -1.21 -1.57 0.00 0.00 175.55 173.46 3gl9 s GLU 28 N -3.16 4.11 -0.06 -0.62 2.02 -0.53 -4.05 118.70 116.41 3gl9 s GLU 28 Ca 0.52 0.65 0.05 0.00 0.02 0.00 0.00 54.97 56.21 3gl9 s GLU 28 Cb -0.10 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 3gl9 s GLU 28 CO 0.22 0.49 -0.23 0.08 0.02 0.00 0.00 175.26 175.84 3gl9 s VAL 29 N -1.40 1.91 -0.12 2.63 1.01 -1.26 -0.55 120.40 122.62 3gl9 s VAL 29 Ca 0.37 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3gl9 s VAL 29 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3gl9 s VAL 29 CO 0.20 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.99 3gl9 s ILE 30 N -0.02 1.87 0.07 2.22 1.09 0.30 -4.95 121.20 121.77 3gl9 s ILE 30 Ca -0.06 -0.88 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 3gl9 s ILE 30 Cb -0.14 -1.66 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 3gl9 s ILE 30 CO 0.04 0.52 0.09 -1.61 -0.10 0.00 0.00 174.94 173.88 3gl9 s GLU 31 N 0.71 2.96 -0.07 2.79 2.02 -1.26 0.65 118.70 126.50 3gl9 s GLU 31 Ca -0.11 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 3gl9 s GLU 31 Cb -0.16 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.33 3gl9 s GLU 31 CO 0.02 0.58 0.16 0.00 0.02 0.00 0.00 175.26 176.03 3gl9 s ALA 32 N -1.39 -0.29 -0.55 5.21 0.00 -0.28 -4.90 121.76 119.56 3gl9 s ALA 32 Ca 0.29 0.71 0.24 0.00 0.00 0.00 0.00 51.96 53.21 3gl9 s ALA 32 Cb -0.12 -0.47 0.44 0.00 0.00 0.00 0.00 23.12 22.96 3gl9 s ALA 32 CO 0.22 -0.16 1.51 1.49 0.00 0.00 0.00 175.76 178.82 3gl9 h GLU 33 N 7.24 0.00 -3.39 0.00 4.81 -1.86 -2.08 114.58 119.31 3gl9 h GLU 33 Ca -0.43 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 3gl9 h GLU 33 Cb 1.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 3gl9 h GLU 33 CO 0.42 0.00 0.06 0.54 -0.73 0.00 0.00 179.01 179.30 3gl9 s ASN 34 N -5.11 0.05 0.25 1.04 2.20 -1.26 -3.18 114.94 108.93 3gl9 s ASN 34 Ca 0.07 -0.98 -0.05 0.00 -0.94 0.00 0.00 52.86 50.95 3gl9 s ASN 34 Cb 0.10 0.70 0.28 0.00 -2.00 0.00 0.00 41.25 40.34 3gl9 s ASN 34 CO 0.68 -1.36 1.91 1.23 -2.94 0.00 0.00 177.10 176.61 3gl9 h GLY 35 N 2.10 1.33 0.93 0.45 0.00 -1.61 -2.01 103.07 104.26 3gl9 h GLY 35 Ca -0.26 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3gl9 h GLY 35 CO 0.34 0.53 -0.06 -1.61 0.00 0.00 0.00 176.54 175.73 3gl9 h GLN 36 N 1.27 -0.13 -0.81 4.80 4.15 -1.91 -1.18 115.11 121.30 3gl9 h GLN 36 Ca 0.33 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.79 3gl9 h GLN 36 Cb -0.07 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 3gl9 h GLN 36 CO -0.06 -0.09 0.52 0.82 -1.93 0.00 0.00 178.83 178.09 3gl9 h ILE 37 N -0.14 1.14 -0.20 2.39 2.04 -1.95 -0.84 117.51 119.96 3gl9 h ILE 37 Ca 0.00 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3gl9 h ILE 37 Cb 0.13 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3gl9 h ILE 37 CO -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 178.15 178.29 3gl9 h ALA 38 N 1.33 0.14 -0.15 1.87 0.00 -1.02 -1.29 119.26 120.15 3gl9 h ALA 38 Ca 0.32 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 3gl9 h ALA 38 Cb -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gl9 h ALA 38 CO -0.10 -0.46 -0.22 -0.07 0.00 0.00 0.00 179.25 178.39 3gl9 h LEU 39 N 0.02 0.26 -0.39 0.00 3.38 -0.79 -1.08 115.31 116.71 3gl9 h LEU 39 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gl9 h LEU 39 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3gl9 h LEU 39 CO -0.19 0.50 0.25 -0.33 0.09 0.00 0.00 178.44 178.76 3gl9 h GLU 40 N 0.25 0.52 -0.34 1.13 5.08 -0.71 -2.65 114.58 117.86 3gl9 h GLU 40 Ca 0.04 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3gl9 h GLU 40 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3gl9 h GLU 40 CO 0.04 0.36 -0.38 0.87 -1.00 0.00 0.00 179.01 178.89 3gl9 h LYS 41 N 0.52 0.80 0.00 2.33 1.57 -0.69 -2.70 116.57 118.41 3gl9 h LYS 41 Ca 0.14 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3gl9 h LYS 41 Cb -0.04 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3gl9 h LYS 41 CO -0.03 1.04 0.00 -0.07 -0.57 0.00 0.00 179.45 179.82 3gl9 h LEU 42 N 0.66 0.00 -0.00 2.94 3.38 -1.05 0.12 115.31 121.35 3gl9 h LEU 42 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gl9 h LEU 42 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3gl9 h LEU 42 CO 0.09 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 3gl9 n SER 43 N -2.66 0.45 -0.00 -0.43 3.41 -1.01 -3.97 113.62 109.40 3gl9 n SER 43 Ca -0.01 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 3gl9 n SER 43 Cb 0.13 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.33 3gl9 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gl9 n GLU 44 N -1.92 1.34 -3.63 4.33 -0.58 0.39 -5.05 120.64 115.52 3gl9 n GLU 44 Ca 0.06 -0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 3gl9 n GLU 44 Cb 0.39 -1.20 -0.01 0.00 -0.57 0.00 0.00 31.44 30.04 3gl9 n GLU 44 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 3gl9 s PHE 45 N -2.58 -0.17 -0.33 -0.32 -0.71 -1.00 -5.13 117.98 107.73 3gl9 s PHE 45 Ca -0.01 -0.01 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 3gl9 s PHE 45 Cb 0.08 0.57 0.04 0.00 -1.21 0.00 0.00 43.02 42.51 3gl9 s PHE 45 CO 0.49 -0.55 0.09 0.99 -1.34 0.00 0.00 175.22 174.91 3gl9 s THR 46 N -2.94 3.66 0.77 -4.49 2.01 -1.26 -4.39 115.64 109.00 3gl9 s THR 46 Ca 0.10 -1.19 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 3gl9 s THR 46 Cb 0.00 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3gl9 s THR 46 CO -0.03 -0.18 1.09 -2.16 -0.69 0.00 0.00 174.62 172.65 3gl9 s PRO 47 N 1.38 2.30 0.26 4.92 0.04 -1.26 -4.95 135.00 137.68 3gl9 s PRO 47 Ca -0.02 0.66 0.25 0.00 0.04 0.00 0.00 61.00 61.93 3gl9 s PRO 47 Cb -0.20 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.94 3gl9 s PRO 47 CO 0.02 -1.47 1.60 -0.44 0.04 0.00 0.00 177.00 176.75 3gl9 h ASP 48 N -0.98 0.00 -4.48 6.66 3.32 -1.47 -3.47 116.42 115.99 3gl9 h ASP 48 Ca -0.46 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3gl9 h ASP 48 Cb 1.26 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 3gl9 h ASP 48 CO 0.59 0.02 0.18 -0.22 -1.72 0.00 0.00 179.24 178.09 3gl9 s LEU 49 N -5.02 -0.69 -0.10 1.55 2.96 -1.14 -4.46 118.68 111.78 3gl9 s LEU 49 Ca 0.08 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 3gl9 s LEU 49 Cb 0.10 2.48 -0.01 0.00 0.50 0.00 0.00 46.19 49.26 3gl9 s LEU 49 CO 0.65 -0.43 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.43 3gl9 s ILE 50 N -0.44 2.52 -0.21 6.68 1.01 -0.53 -0.77 121.20 129.45 3gl9 s ILE 50 Ca -0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 3gl9 s ILE 50 Cb -0.02 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3gl9 s ILE 50 CO 0.05 0.55 0.02 -0.69 0.00 0.00 0.00 174.94 174.88 3gl9 s VAL 51 N 0.14 4.07 0.29 2.92 1.01 -0.08 -0.76 120.40 128.00 3gl9 s VAL 51 Ca -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3gl9 s VAL 51 Cb -0.16 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3gl9 s VAL 51 CO 0.06 0.41 0.10 -0.11 0.00 0.00 0.00 175.10 175.56 3gl9 n LEU 52 N 4.42 0.00 0.08 3.92 7.94 0.66 -0.40 117.00 133.62 3gl9 n LEU 52 Ca -0.17 -2.23 0.00 0.00 -1.11 0.00 0.00 56.01 52.50 3gl9 n LEU 52 Cb 0.52 0.73 0.00 0.00 0.53 0.00 0.00 43.42 45.20 3gl9 n LEU 52 CO 0.31 -0.34 0.00 -0.38 -1.11 0.00 0.00 177.39 175.87 3gl9 n ILE 54 N -0.66 0.90 -2.54 1.96 5.41 -1.26 -0.74 119.36 122.43 3gl9 n ILE 54 Ca -0.04 0.30 -0.42 0.00 1.00 0.00 0.00 62.75 63.58 3gl9 n ILE 54 Cb 0.44 -1.29 -0.02 0.00 -0.71 0.00 0.00 39.64 38.05 3gl9 n ILE 54 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3gl9 s MET 55 N -2.00 3.44 -0.04 0.38 -1.94 -1.26 -0.59 119.30 117.28 3gl9 s MET 55 Ca 0.00 0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 54.17 3gl9 s MET 55 Cb 0.00 -4.06 0.01 0.00 2.01 0.00 0.00 34.83 32.80 3gl9 s MET 55 CO 0.00 -1.79 0.14 -1.64 -0.01 0.00 0.00 175.02 171.72 3gl9 s MET 56 N 5.16 0.24 0.83 2.03 -1.94 -1.26 -4.68 119.30 119.68 3gl9 s MET 56 Ca 0.44 0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 54.37 3gl9 s MET 56 Cb -0.08 0.11 0.09 0.00 2.01 0.00 0.00 34.83 36.96 3gl9 s MET 56 CO 0.24 -0.04 1.10 -1.25 -0.01 0.00 0.00 175.02 175.06 3gl9 s PRO 57 N -0.27 1.74 0.00 2.03 0.04 -1.26 -3.79 135.00 133.49 3gl9 s PRO 57 Ca -0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3gl9 s PRO 57 Cb -0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3gl9 s PRO 57 CO 0.00 -2.02 0.00 0.28 0.04 0.00 0.00 177.00 175.31 3gl9 n VAL 58 N -3.78 0.00 -3.67 -0.36 0.31 -1.26 -4.50 118.33 105.07 3gl9 n VAL 58 Ca 0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.33 3gl9 n VAL 58 Cb 0.53 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 3gl9 n VAL 58 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3gl9 s MET 59 N 0.00 0.37 0.73 5.55 -2.45 -1.26 -4.90 119.30 117.34 3gl9 s MET 59 Ca 0.00 0.96 -0.06 0.00 -1.25 0.00 0.00 55.69 55.35 3gl9 s MET 59 Cb 0.00 0.20 0.10 0.00 1.25 0.00 0.00 34.83 36.38 3gl9 s MET 59 CO 0.00 -0.21 1.03 0.16 1.05 0.00 0.00 175.02 177.05 3gl9 s ASP 60 N 2.12 4.48 0.31 1.11 3.84 -1.25 -1.91 116.67 125.37 3gl9 s ASP 60 Ca -0.05 0.15 0.06 0.00 -0.00 0.00 0.00 52.55 52.70 3gl9 s ASP 60 Cb -0.10 -0.66 0.50 0.00 -1.38 0.00 0.00 42.92 41.28 3gl9 s ASP 60 CO -0.13 -1.79 1.75 1.23 -0.00 0.00 0.00 175.17 176.23 3gl9 h GLY 61 N -0.66 0.35 0.94 2.12 0.00 -1.19 -1.73 103.07 102.91 3gl9 h GLY 61 Ca -0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 3gl9 h GLY 61 CO 0.50 0.27 0.14 0.74 0.00 0.00 0.00 176.54 178.19 3gl9 h PHE 62 N 0.29 0.43 -0.63 5.60 0.05 -1.95 0.23 116.94 120.95 3gl9 h PHE 62 Ca 0.04 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3gl9 h PHE 62 Cb 0.67 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.46 3gl9 h PHE 62 CO 0.02 0.39 0.37 1.15 -0.18 0.00 0.00 178.31 180.05 3gl9 h THR 63 N 0.35 1.19 -0.30 -1.55 2.02 -1.89 -1.71 112.91 111.02 3gl9 h THR 63 Ca 0.10 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.87 3gl9 h THR 63 Cb 0.12 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3gl9 h THR 63 CO -0.01 0.20 0.08 0.58 0.37 0.00 0.00 175.52 176.74 3gl9 h VAL 64 N 0.86 0.89 -0.65 3.16 2.07 -1.02 -1.41 116.25 120.16 3gl9 h VAL 64 Ca 0.23 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3gl9 h VAL 64 Cb 0.00 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3gl9 h VAL 64 CO -0.04 0.04 0.38 -0.07 0.02 0.00 0.00 177.57 177.90 3gl9 h LEU 65 N 0.21 0.59 -0.64 2.57 3.38 -0.58 -1.03 115.31 119.81 3gl9 h LEU 65 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3gl9 h LEU 65 Cb 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3gl9 h LEU 65 CO -0.16 0.40 0.39 0.50 0.09 0.00 0.00 178.44 179.66 3gl9 h LYS 66 N 0.72 0.74 -0.14 1.13 3.64 -0.88 -1.96 116.57 119.82 3gl9 h LYS 66 Ca 0.27 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3gl9 h LYS 66 Cb 0.10 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gl9 h LYS 66 CO -0.14 0.49 -0.48 0.87 -2.27 0.00 0.00 179.45 177.92 3gl9 h LYS 67 N 0.76 0.36 -0.50 1.90 1.57 -0.73 -2.89 116.57 117.04 3gl9 h LYS 67 Ca 0.26 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3gl9 h LYS 67 Cb 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3gl9 h LYS 67 CO -0.11 0.76 0.20 -0.07 -0.57 0.00 0.00 179.45 179.66 3gl9 h LEU 68 N 0.29 0.69 -2.00 2.94 3.38 -0.82 -2.80 115.31 116.98 3gl9 h LEU 68 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gl9 h LEU 68 Cb 0.95 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3gl9 h LEU 68 CO 0.08 0.67 0.01 1.56 0.09 0.00 0.00 178.44 180.85 3gl9 h GLN 69 N 0.67 0.00 0.00 1.13 4.20 -1.19 -2.65 115.11 117.27 3gl9 h GLN 69 Ca 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3gl9 h GLN 69 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3gl9 h GLN 69 CO -0.01 0.00 -0.21 0.93 -0.67 0.00 0.00 178.83 178.87 3gl9 h GLU 70 N 0.00 0.00 -5.26 1.46 5.08 -1.30 -3.45 114.58 111.11 3gl9 h GLU 70 Ca 0.01 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3gl9 h GLU 70 Cb 0.03 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.05 3gl9 h GLU 70 CO -0.00 0.21 -0.70 0.15 -1.00 0.00 0.00 179.01 177.67 3gl9 s LYS 71 N -3.18 3.57 0.30 2.33 1.02 -1.17 -5.01 119.74 117.60 3gl9 s LYS 71 Ca 0.05 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.52 3gl9 s LYS 71 Cb 0.07 -2.87 0.71 0.00 -0.52 0.00 0.00 37.83 35.21 3gl9 s LYS 71 CO 0.69 0.17 1.79 1.49 -0.92 0.00 0.00 175.35 178.57 3gl9 h GLU 72 N 6.90 0.78 0.00 1.68 4.57 -1.86 -0.87 114.58 125.78 3gl9 h GLU 72 Ca -0.31 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3gl9 h GLU 72 Cb 1.19 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3gl9 h GLU 72 CO 0.61 0.51 0.00 1.05 -1.18 0.00 0.00 179.01 180.00 3gl9 h GLU 73 N 0.80 0.00 0.00 1.92 9.09 -1.94 -3.33 114.58 121.12 3gl9 h GLU 73 Ca 0.57 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.77 3gl9 h GLU 73 Cb 0.83 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.89 3gl9 h GLU 73 CO -0.36 0.00 -1.93 0.91 0.05 0.00 0.00 179.01 177.68 3gl9 n TRP 74 N -2.81 0.00 0.29 2.06 8.01 -0.52 -4.72 117.44 119.76 3gl9 n TRP 74 Ca 0.03 0.00 0.17 0.00 -1.31 0.00 0.00 57.50 56.39 3gl9 n TRP 74 Cb 0.39 -0.64 0.90 0.00 -2.01 0.00 0.00 31.31 29.96 3gl9 n TRP 74 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3gl9 h LYS 75 N 0.00 0.00 -0.01 -0.99 2.10 -0.84 -2.33 116.57 114.50 3gl9 h LYS 75 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3gl9 h LYS 75 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 3gl9 h LYS 75 CO 0.02 0.04 -0.31 0.54 -2.00 0.00 0.00 179.45 177.74 3gl9 n ARG 76 N -3.38 0.90 -2.14 0.07 3.00 -1.26 -4.88 116.66 108.96 3gl9 n ARG 76 Ca -0.02 -0.59 -0.42 0.00 -0.01 0.00 0.00 57.85 56.81 3gl9 n ARG 76 Cb 0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 3gl9 n ARG 76 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gl9 s ILE 77 N -2.51 3.78 0.31 0.55 1.01 -0.88 -4.96 121.20 118.50 3gl9 s ILE 77 Ca 0.23 0.97 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 3gl9 s ILE 77 Cb 0.19 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 3gl9 s ILE 77 CO 0.54 -0.08 1.34 -2.16 0.00 0.00 0.00 174.94 174.57 3gl9 s PRO 78 N 3.75 4.34 -0.12 2.79 0.04 -1.26 -4.87 135.00 139.67 3gl9 s PRO 78 Ca 0.67 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.96 3gl9 s PRO 78 Cb -0.30 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.16 3gl9 s PRO 78 CO 0.25 -0.24 -0.19 0.08 0.04 0.00 0.00 177.00 176.93 3gl9 s VAL 79 N -0.81 1.80 -0.26 -0.36 1.01 -1.26 -1.46 120.40 119.05 3gl9 s VAL 79 Ca 0.52 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3gl9 s VAL 79 Cb -0.40 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3gl9 s VAL 79 CO 0.50 0.50 0.23 -0.63 0.00 0.00 0.00 175.10 175.70 3gl9 s ILE 80 N 0.78 5.29 -0.10 2.22 1.01 0.06 -0.69 121.20 129.76 3gl9 s ILE 80 Ca -0.10 0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 3gl9 s ILE 80 Cb -0.16 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3gl9 s ILE 80 CO 0.01 0.26 0.79 -0.69 0.00 0.00 0.00 174.94 175.31 3gl9 s VAL 81 N 1.60 4.95 -0.21 2.92 1.01 0.06 -0.24 120.40 130.49 3gl9 s VAL 81 Ca 0.09 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3gl9 s VAL 81 Cb -0.15 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.17 3gl9 s VAL 81 CO 0.09 0.14 -0.05 -0.22 0.00 0.00 0.00 175.10 175.06 3gl9 s LEU 82 N 1.40 2.21 -0.04 3.92 2.96 0.08 -0.01 118.68 129.21 3gl9 s LEU 82 Ca 0.40 -1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 3gl9 s LEU 82 Cb -0.18 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.46 3gl9 s LEU 82 CO 0.17 -0.22 0.29 0.28 -1.32 0.00 0.00 176.35 175.55 3gl9 s THR 83 N 1.49 0.05 0.40 3.68 -1.32 -0.44 -4.38 115.64 115.12 3gl9 s THR 83 Ca -0.04 -0.39 0.34 0.00 -1.21 0.00 0.00 61.69 60.39 3gl9 s THR 83 Cb -0.18 -0.56 0.36 0.00 -1.51 0.00 0.00 72.50 70.62 3gl9 s THR 83 CO -0.07 -0.21 2.13 0.00 -2.21 0.00 0.00 174.62 174.26 3gl9 h ALA 84 N 4.30 1.13 -2.05 11.08 0.00 -1.86 0.84 119.26 132.70 3gl9 h ALA 84 Ca -0.29 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 3gl9 h ALA 84 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3gl9 h ALA 84 CO 0.38 0.07 1.17 0.15 0.00 0.00 0.00 179.25 181.02 3gl9 s LYS 85 N -4.05 3.74 0.00 0.00 -0.14 -1.26 -4.70 119.74 113.33 3gl9 s LYS 85 Ca -0.02 1.75 0.14 0.00 -1.36 0.00 0.00 55.97 56.48 3gl9 s LYS 85 Cb 0.12 -4.08 0.21 0.00 -1.68 0.00 0.00 37.83 32.39 3gl9 s LYS 85 CO 0.53 -1.37 1.08 0.41 -0.76 0.00 0.00 175.35 175.23 3gl9 n GLY 86 N 4.79 0.89 3.87 -3.33 0.00 -1.26 -4.82 105.19 105.32 3gl9 n GLY 86 Ca 0.20 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3gl9 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gl9 s GLY 87 N -1.12 1.82 0.35 -0.02 0.00 -1.26 -4.97 107.32 102.12 3gl9 s GLY 87 Ca 0.21 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.91 3gl9 s GLY 87 CO 0.19 0.18 1.97 0.83 0.00 0.00 0.00 173.10 176.27 3gl9 h GLU 88 N 0.42 0.78 -0.34 2.90 5.08 -2.00 -2.74 114.58 118.68 3gl9 h GLU 88 Ca -0.46 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 3gl9 h GLU 88 Cb 1.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3gl9 h GLU 88 CO 0.62 0.52 -0.19 1.49 -1.00 0.00 0.00 179.01 180.45 3gl9 h GLU 89 N 0.80 0.73 -0.85 2.33 4.81 -2.00 -1.49 114.58 118.92 3gl9 h GLU 89 Ca 0.30 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3gl9 h GLU 89 Cb 0.16 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3gl9 h GLU 89 CO -0.09 0.94 0.41 -0.44 -0.73 0.00 0.00 179.01 179.10 3gl9 h ASP 90 N 0.51 1.12 0.09 1.04 3.32 -1.92 -1.55 116.42 119.03 3gl9 h ASP 90 Ca 0.07 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3gl9 h ASP 90 Cb 0.73 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3gl9 h ASP 90 CO 0.05 0.94 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.39 3gl9 h GLU 91 N 1.21 -0.11 -0.16 3.56 4.81 -1.27 -1.10 114.58 121.52 3gl9 h GLU 91 Ca 0.29 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3gl9 h GLU 91 Cb 0.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3gl9 h GLU 91 CO -0.04 -0.01 0.10 1.03 -0.73 0.00 0.00 179.01 179.36 3gl9 h SER 92 N -0.18 0.19 -0.01 1.04 0.87 -1.16 -1.06 113.55 113.23 3gl9 h SER 92 Ca -0.01 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3gl9 h SER 92 Cb 0.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3gl9 h SER 92 CO 0.02 0.17 -0.08 0.25 -0.53 0.00 0.00 176.83 176.66 3gl9 h LEU 93 N 0.19 -0.23 -0.47 2.23 5.85 -1.24 0.37 115.31 122.01 3gl9 h LEU 93 Ca 0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3gl9 h LEU 93 Cb 0.01 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3gl9 h LEU 93 CO -0.01 -0.12 0.26 0.00 -0.34 0.00 0.00 178.44 178.23 3gl9 h ALA 94 N 0.86 0.60 -0.84 1.25 0.00 -1.09 -1.46 119.26 118.58 3gl9 h ALA 94 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gl9 h ALA 94 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gl9 h ALA 94 CO -0.09 0.13 0.47 -0.07 0.00 0.00 0.00 179.25 179.68 3gl9 h LEU 95 N 0.62 1.04 -1.40 0.00 3.38 -1.05 -1.76 115.31 116.14 3gl9 h LEU 95 Ca 0.17 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gl9 h LEU 95 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3gl9 h LEU 95 CO -0.03 0.83 -0.20 0.28 0.09 0.00 0.00 178.44 179.41 3gl9 h SER 96 N 1.18 0.00 -0.06 -0.43 0.02 -0.45 -1.74 113.55 112.06 3gl9 h SER 96 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3gl9 h SER 96 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3gl9 h SER 96 CO -0.05 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.03 3gl9 n LEU 97 N -3.51 1.35 0.00 5.07 4.32 -0.59 -4.93 117.00 118.70 3gl9 n LEU 97 Ca -0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 3gl9 n LEU 97 Cb 0.36 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 3gl9 n LEU 97 CO 0.32 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 3gl9 n GLY 98 N 1.13 0.77 3.69 -0.72 0.00 -0.66 -4.59 105.19 104.81 3gl9 n GLY 98 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3gl9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gl9 n ALA 99 N -0.94 1.20 0.08 4.61 0.00 -0.70 -4.77 120.51 119.98 3gl9 n ALA 99 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 3gl9 n ALA 99 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 3gl9 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gl9 h ARG 100 N 3.07 0.27 -2.54 0.00 2.47 -1.25 -3.42 114.38 112.98 3gl9 h ARG 100 Ca -0.45 -0.32 -0.09 0.00 -1.26 0.00 0.00 59.98 57.85 3gl9 h ARG 100 Cb 1.28 0.10 -0.20 0.00 -1.65 0.00 0.00 29.97 29.50 3gl9 h ARG 100 CO 0.67 1.05 -0.07 0.21 0.56 0.00 0.00 179.97 182.39 3gl9 s LYS 101 N -3.12 0.81 -0.20 0.04 2.20 -1.23 -5.06 119.74 113.17 3gl9 s LYS 101 Ca -0.04 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.69 3gl9 s LYS 101 Cb 0.09 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 3gl9 s LYS 101 CO 0.85 -0.22 -0.13 0.08 -0.36 0.00 0.00 175.35 175.57 3gl9 s VAL 102 N -1.02 2.63 -0.07 4.02 1.01 -1.26 -0.76 120.40 124.95 3gl9 s VAL 102 Ca -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3gl9 s VAL 102 Cb -0.03 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3gl9 s VAL 102 CO 0.06 0.46 -0.21 -0.04 0.00 0.00 0.00 175.10 175.36 3gl9 s MET 103 N 1.36 2.76 0.09 2.72 1.00 0.99 -4.99 119.30 123.23 3gl9 s MET 103 Ca 0.05 -0.84 -0.21 0.00 0.00 0.00 0.00 55.69 54.69 3gl9 s MET 103 Cb -0.14 -2.29 -0.07 0.00 0.00 0.00 0.00 34.83 32.33 3gl9 s MET 103 CO -0.09 0.36 0.62 0.50 0.00 0.00 0.00 175.02 176.41 3gl9 s ARG 104 N -0.08 4.29 0.19 2.03 3.52 -1.26 -1.33 118.95 126.31 3gl9 s ARG 104 Ca -0.05 0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 56.11 3gl9 s ARG 104 Cb -0.14 -3.25 -0.08 0.00 -1.56 0.00 0.00 34.95 29.92 3gl9 s ARG 104 CO 0.04 0.61 0.84 0.15 -0.81 0.00 0.00 175.30 176.13 3gl9 s LYS 105 N -1.07 4.67 0.19 5.12 1.02 0.29 -3.16 119.74 126.79 3gl9 s LYS 105 Ca 0.31 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 57.28 3gl9 s LYS 105 Cb -0.20 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 3gl9 s LYS 105 CO 0.21 0.53 1.18 -1.25 -0.92 0.00 0.00 175.35 175.10 3gl9 s PRO 106 N -1.08 4.50 0.27 -1.68 0.04 -1.26 -4.69 135.00 131.10 3gl9 s PRO 106 Ca 0.38 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 3gl9 s PRO 106 Cb -0.24 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 3gl9 s PRO 106 CO 0.28 -0.06 0.55 -0.59 0.04 0.00 0.00 177.00 177.22 3gl9 s PHE 107 N -0.10 3.46 -0.31 0.56 -0.12 -1.19 -5.06 117.98 115.23 3gl9 s PHE 107 Ca 0.52 0.72 -0.27 0.00 -0.05 0.00 0.00 56.93 57.85 3gl9 s PHE 107 Cb -0.32 -2.16 0.01 0.00 -0.63 0.00 0.00 43.02 39.92 3gl9 s PHE 107 CO 0.37 0.20 0.97 0.45 -0.05 0.00 0.00 175.22 177.15 3gl9 s SER 108 N -2.90 6.84 0.27 1.98 0.15 -1.26 -4.96 113.70 113.82 3gl9 s SER 108 Ca 0.45 0.92 0.01 0.00 0.70 0.00 0.00 55.95 58.03 3gl9 s SER 108 Cb -0.11 -2.49 0.59 0.00 -1.71 0.00 0.00 66.02 62.30 3gl9 s SER 108 CO 0.27 -0.77 1.75 -0.65 1.20 0.00 0.00 173.24 175.04 3gl9 h PRO 109 N 8.06 0.56 -0.21 5.44 0.11 -1.98 0.33 132.00 144.31 3gl9 h PRO 109 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gl9 h PRO 109 Cb 1.07 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3gl9 h PRO 109 CO 0.97 0.37 0.13 0.66 -0.21 0.00 0.00 178.00 179.92 3gl9 h SER 110 N 0.57 0.24 -0.63 -2.05 4.64 -1.99 -0.13 113.55 114.20 3gl9 h SER 110 Ca 0.49 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.72 3gl9 h SER 110 Cb 0.77 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3gl9 h SER 110 CO -0.40 0.20 0.14 1.56 -0.87 0.00 0.00 176.83 177.45 3gl9 h GLN 111 N 0.26 1.02 0.20 4.77 4.20 -1.80 -1.88 115.11 121.88 3gl9 h GLN 111 Ca 0.07 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3gl9 h GLN 111 Cb -0.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3gl9 h GLN 111 CO -0.02 0.93 -0.10 0.35 -0.67 0.00 0.00 178.83 179.33 3gl9 h PHE 112 N 0.93 -0.25 -0.67 2.96 3.57 -0.78 -2.16 116.94 120.54 3gl9 h PHE 112 Ca 0.20 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3gl9 h PHE 112 Cb 0.38 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3gl9 h PHE 112 CO 0.03 -0.02 0.32 0.82 -2.23 0.00 0.00 178.31 177.23 3gl9 h ILE 113 N -0.44 1.22 -0.37 1.41 1.08 -1.03 -0.92 117.51 118.46 3gl9 h ILE 113 Ca -0.03 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 63.86 3gl9 h ILE 113 Cb 0.34 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3gl9 h ILE 113 CO 0.05 0.26 0.16 -0.08 -0.69 0.00 0.00 178.15 177.85 3gl9 h GLU 114 N 0.95 0.33 -0.27 2.37 4.81 -1.25 -0.35 114.58 121.17 3gl9 h GLU 114 Ca 0.23 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3gl9 h GLU 114 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3gl9 h GLU 114 CO -0.03 0.22 0.02 1.49 -0.73 0.00 0.00 179.01 179.98 3gl9 h GLU 115 N 0.34 0.47 -0.39 1.92 4.57 -0.88 -1.31 114.58 119.30 3gl9 h GLU 115 Ca 0.16 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3gl9 h GLU 115 Cb 0.09 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.55 3gl9 h GLU 115 CO -0.13 0.61 -0.30 0.28 -1.18 0.00 0.00 179.01 178.29 3gl9 h VAL 116 N 0.27 0.26 -0.67 0.32 2.07 -0.98 -0.78 116.25 116.74 3gl9 h VAL 116 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3gl9 h VAL 116 Cb 0.39 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3gl9 h VAL 116 CO 0.01 0.00 0.26 0.11 0.02 0.00 0.00 177.57 177.97 3gl9 h LYS 117 N -0.24 1.02 -0.38 1.57 1.57 -0.96 -0.23 116.57 118.92 3gl9 h LYS 117 Ca 0.17 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3gl9 h LYS 117 Cb 0.52 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3gl9 h LYS 117 CO -0.52 0.85 0.03 1.25 -0.57 0.00 0.00 179.45 180.49 3gl9 h HIS 118 N 0.96 0.03 -0.20 -1.35 2.76 -0.74 -1.32 115.15 115.29 3gl9 h HIS 118 Ca 0.22 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.23 3gl9 h HIS 118 Cb 0.23 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3gl9 h HIS 118 CO 0.02 -0.04 -0.63 -0.07 -1.30 0.00 0.00 177.93 175.90 3gl9 h LEU 119 N 0.14 0.81 -1.10 0.26 3.38 -0.83 -3.10 115.31 114.88 3gl9 h LEU 119 Ca 0.19 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3gl9 h LEU 119 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gl9 h LEU 119 CO -0.29 1.24 -0.20 -0.07 0.09 0.00 0.00 178.44 179.21 3gl9 h LEU 120 N 0.52 0.00 -2.39 1.67 3.38 -0.85 -3.13 115.31 114.52 3gl9 h LEU 120 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gl9 h LEU 120 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3gl9 h LEU 120 CO 0.13 0.20 0.00 0.59 0.09 0.00 0.00 178.44 179.45 3gl9 n ASN 121 N -3.35 3.54 0.00 -0.43 3.02 -0.51 -5.08 115.26 112.44 3gl9 n ASN 121 Ca 0.00 -1.99 0.09 0.00 -0.03 0.00 0.00 54.58 52.65 3gl9 n ASN 121 Cb 0.43 -0.31 0.52 0.00 -0.61 0.00 0.00 39.78 39.80 3gl9 n ASN 121 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02