#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 4.25 -0.18 4.33 -0.14 -1.26 -4.86 119.74 121.87 3gl9 s LYS 3 Ca 0.00 1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 55.72 3gl9 s LYS 3 Cb 0.00 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 3gl9 s LYS 3 CO 0.00 -0.01 -0.05 0.15 -0.76 0.00 0.00 175.35 174.68 3gl9 s LYS 4 N -3.08 3.51 -0.12 1.68 3.01 -1.26 -0.98 119.74 122.50 3gl9 s LYS 4 Ca 0.61 -0.58 0.02 0.00 -1.01 0.00 0.00 55.97 55.00 3gl9 s LYS 4 Cb -0.10 -2.94 -0.01 0.00 -1.01 0.00 0.00 37.83 33.77 3gl9 s LYS 4 CO 0.14 0.03 -0.17 0.08 0.51 0.00 0.00 175.35 175.94 3gl9 s VAL 5 N 0.90 2.70 -0.28 3.17 1.01 -0.03 -0.75 120.40 127.13 3gl9 s VAL 5 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3gl9 s VAL 5 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3gl9 s VAL 5 CO 0.01 0.54 0.35 -0.22 0.00 0.00 0.00 175.10 175.79 3gl9 s LEU 6 N 0.29 4.06 -0.35 3.92 2.96 -0.35 -0.71 118.68 128.49 3gl9 s LEU 6 Ca -0.13 0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3gl9 s LEU 6 Cb -0.16 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.15 3gl9 s LEU 6 CO 0.07 -0.18 0.19 -0.22 -1.32 0.00 0.00 176.35 174.88 3gl9 s LEU 7 N 2.04 4.52 -0.34 -0.68 0.20 0.76 -0.77 118.68 124.41 3gl9 s LEU 7 Ca 0.14 -0.86 -0.03 0.00 0.69 0.00 0.00 54.13 54.08 3gl9 s LEU 7 Cb -0.16 -2.01 0.07 0.00 -0.43 0.00 0.00 46.19 43.66 3gl9 s LEU 7 CO 0.10 -0.33 0.07 -0.69 -0.29 0.00 0.00 176.35 175.22 3gl9 s VAL 8 N 1.57 3.19 -0.25 1.68 1.01 0.44 -1.07 120.40 126.97 3gl9 s VAL 8 Ca 0.03 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 3gl9 s VAL 8 Cb -0.19 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.33 3gl9 s VAL 8 CO 0.06 -0.29 0.73 -0.62 0.00 0.00 0.00 175.10 174.98 3gl9 s ASP 9 N 1.43 -0.73 0.00 3.32 -1.08 -0.70 -4.39 116.67 114.53 3gl9 s ASP 9 Ca -0.01 1.35 0.28 0.00 -0.52 0.00 0.00 52.55 53.65 3gl9 s ASP 9 Cb -0.21 1.35 1.24 0.00 -1.46 0.00 0.00 42.92 43.84 3gl9 s ASP 9 CO -0.01 -0.28 1.91 -0.90 0.52 0.00 0.00 175.17 176.40 3gl9 n ASP 10 N 2.48 0.00 -4.55 -0.34 5.75 -1.20 -4.19 116.55 114.51 3gl9 n ASP 10 Ca -0.14 0.37 -0.42 0.00 -0.01 0.00 0.00 54.79 54.58 3gl9 n ASP 10 Cb 0.55 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.12 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 -2.91 6.34 0.30 -1.12 0.15 -1.26 -4.94 113.70 110.26 3gl9 s SER 11 Ca 0.16 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 3gl9 s SER 11 Cb 0.18 -2.30 0.46 0.00 -1.71 0.00 0.00 66.02 62.66 3gl9 s SER 11 CO 0.49 -0.60 1.92 0.00 1.20 0.00 0.00 173.24 176.25 3gl9 h ALA 12 N 8.59 1.36 -0.27 5.45 0.00 -1.99 -1.16 119.26 131.24 3gl9 h ALA 12 Ca -0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3gl9 h ALA 12 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3gl9 h ALA 12 CO 0.82 0.52 0.13 0.28 0.00 0.00 0.00 179.25 181.00 3gl9 h VAL 13 N 0.95 1.14 -0.16 0.00 2.07 -1.98 -0.98 116.25 117.29 3gl9 h VAL 13 Ca 0.24 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3gl9 h VAL 13 Cb 0.04 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3gl9 h VAL 13 CO -0.04 0.14 0.09 0.25 0.02 0.00 0.00 177.57 178.04 3gl9 h LEU 14 N 0.30 0.16 -1.25 2.57 7.12 -1.89 -2.50 115.31 119.81 3gl9 h LEU 14 Ca 0.09 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.13 3gl9 h LEU 14 Cb 0.11 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.16 3gl9 h LEU 14 CO -0.01 0.12 0.52 0.03 -0.13 0.00 0.00 178.44 178.96 3gl9 h ARG 15 N 0.20 0.96 0.15 1.25 3.08 -1.00 -1.00 114.38 118.03 3gl9 h ARG 15 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gl9 h ARG 15 Cb -0.01 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3gl9 h ARG 15 CO -0.02 0.64 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.22 3gl9 h LYS 16 N 0.99 -0.20 0.17 0.04 3.64 -0.93 0.19 116.57 120.48 3gl9 h LYS 16 Ca 0.30 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3gl9 h LYS 16 Cb -0.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3gl9 h LYS 16 CO -0.08 -0.11 -0.08 0.82 -2.27 0.00 0.00 179.45 177.73 3gl9 h ILE 17 N -0.23 0.86 -0.45 2.00 2.04 -1.08 -1.62 117.51 119.04 3gl9 h ILE 17 Ca -0.02 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3gl9 h ILE 17 Cb 0.18 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3gl9 h ILE 17 CO 0.03 0.02 0.12 0.58 0.00 0.00 0.00 178.15 178.90 3gl9 h VAL 18 N -0.27 1.23 -0.62 1.67 2.07 -1.20 -2.25 116.25 116.87 3gl9 h VAL 18 Ca -0.02 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3gl9 h VAL 18 Cb 0.21 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3gl9 h VAL 18 CO 0.04 0.28 0.22 0.77 0.02 0.00 0.00 177.57 178.91 3gl9 h SER 19 N 0.59 0.88 -0.68 0.57 4.64 -0.93 -0.19 113.55 118.43 3gl9 h SER 19 Ca 0.14 -0.19 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3gl9 h SER 19 Cb 0.31 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 3gl9 h SER 19 CO 0.00 0.83 0.31 0.15 -0.87 0.00 0.00 176.83 177.25 3gl9 h PHE 20 N 0.88 0.54 -0.22 4.77 3.57 -1.14 0.30 116.94 125.65 3gl9 h PHE 20 Ca 0.20 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.54 3gl9 h PHE 20 Cb 0.25 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3gl9 h PHE 20 CO 0.02 0.17 -0.62 -0.91 -2.23 0.00 0.00 178.31 174.74 3gl9 h ASN 21 N 0.52 0.87 -0.58 0.41 2.35 -0.88 -2.69 115.58 115.58 3gl9 h ASN 21 Ca 0.34 -0.50 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3gl9 h ASN 21 Cb 0.39 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3gl9 h ASN 21 CO -0.29 1.28 0.15 -0.07 -1.65 0.00 0.00 177.43 176.85 3gl9 h LEU 22 N 0.57 0.87 -1.27 1.61 3.38 -0.74 -3.04 115.31 116.69 3gl9 h LEU 22 Ca -0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3gl9 h LEU 22 Cb 1.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3gl9 h LEU 22 CO 0.13 0.87 -0.31 0.11 0.09 0.00 0.00 178.44 179.33 3gl9 h LYS 23 N 0.83 0.09 0.00 1.13 1.57 -0.91 -1.94 116.57 117.34 3gl9 h LYS 23 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3gl9 h LYS 23 Cb 0.33 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3gl9 h LYS 23 CO 0.00 0.39 -0.01 0.87 -0.57 0.00 0.00 179.45 180.14 3gl9 h LYS 24 N 0.08 0.00 -0.03 3.15 1.57 -1.35 -0.32 116.57 119.66 3gl9 h LYS 24 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gl9 h LYS 24 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3gl9 h LYS 24 CO 0.04 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.32 3gl9 n GLU 25 N -4.30 1.51 -0.64 3.15 -0.58 -0.75 -4.91 120.64 114.12 3gl9 n GLU 25 Ca -0.03 -0.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 3gl9 n GLU 25 Cb 0.09 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.12 0.66 3.86 0.62 0.00 -0.13 -5.06 105.19 106.25 3gl9 n GLY 26 Ca 0.19 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.43 -0.13 1.61 2.02 -1.10 -4.46 117.35 116.72 3gl9 s TYR 27 Ca 0.00 1.20 -0.05 0.00 -0.37 0.00 0.00 57.07 57.86 3gl9 s TYR 27 Cb 0.00 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3gl9 s TYR 27 CO 0.00 -0.10 0.03 -1.21 -1.57 0.00 0.00 175.55 172.71 3gl9 s GLU 28 N -3.60 3.49 -0.11 -0.62 0.41 -0.15 -4.14 118.70 113.98 3gl9 s GLU 28 Ca 0.54 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 3gl9 s GLU 28 Cb -0.10 -3.00 -0.02 0.00 -1.78 0.00 0.00 34.13 29.23 3gl9 s GLU 28 CO 0.26 0.49 -0.11 0.08 -0.49 0.00 0.00 175.26 175.49 3gl9 s VAL 29 N -0.27 3.29 -0.07 2.63 1.01 -1.26 -0.85 120.40 124.88 3gl9 s VAL 29 Ca 0.07 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3gl9 s VAL 29 Cb -0.12 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3gl9 s VAL 29 CO 0.02 0.55 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 3gl9 s ILE 30 N -0.06 2.41 0.15 2.22 1.09 0.11 -4.97 121.20 122.15 3gl9 s ILE 30 Ca -0.01 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.67 3gl9 s ILE 30 Cb -0.14 -1.91 -0.04 0.00 -1.06 0.00 0.00 42.46 39.31 3gl9 s ILE 30 CO 0.03 0.57 -0.01 -1.61 -0.10 0.00 0.00 174.94 173.82 3gl9 s GLU 31 N -0.18 2.40 -0.07 2.79 2.02 -1.26 -0.17 118.70 124.23 3gl9 s GLU 31 Ca -0.02 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 3gl9 s GLU 31 Cb -0.14 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.74 3gl9 s GLU 31 CO 0.04 0.48 0.16 0.00 0.02 0.00 0.00 175.26 175.95 3gl9 s ALA 32 N -1.58 -0.34 -1.96 5.21 0.00 -0.23 -4.90 121.76 117.96 3gl9 s ALA 32 Ca 0.26 0.64 0.27 0.00 0.00 0.00 0.00 51.96 53.13 3gl9 s ALA 32 Cb -0.10 -0.41 0.85 0.00 0.00 0.00 0.00 23.12 23.46 3gl9 s ALA 32 CO 0.18 -0.14 1.63 -0.85 0.00 0.00 0.00 175.76 176.58 3gl9 n GLU 33 N 3.83 1.07 -3.89 0.00 0.28 -1.26 -1.72 120.64 118.95 3gl9 n GLU 33 Ca -0.22 -0.62 -0.09 0.00 -0.16 0.00 0.00 57.16 56.07 3gl9 n GLU 33 Cb 0.54 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.91 3gl9 n GLU 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3gl9 s ASN 34 N -2.36 0.02 0.24 -1.84 2.20 -1.26 -3.25 114.94 108.69 3gl9 s ASN 34 Ca 0.28 -0.98 -0.05 0.00 -0.94 0.00 0.00 52.86 51.17 3gl9 s ASN 34 Cb 0.20 0.74 0.25 0.00 -2.00 0.00 0.00 41.25 40.44 3gl9 s ASN 34 CO 0.47 -1.44 1.76 1.23 -2.94 0.00 0.00 177.10 176.18 3gl9 h GLY 35 N 2.06 1.05 0.90 0.45 0.00 -1.59 -1.60 103.07 104.33 3gl9 h GLY 35 Ca -0.26 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 3gl9 h GLY 35 CO 0.34 0.61 -0.14 -1.61 0.00 0.00 0.00 176.54 175.73 3gl9 h GLN 36 N 0.93 -0.33 -0.81 4.80 4.15 -1.90 -1.14 115.11 120.80 3gl9 h GLN 36 Ca 0.19 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.71 3gl9 h GLN 36 Cb 0.37 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.07 3gl9 h GLN 36 CO 0.01 -0.22 0.47 0.82 -1.93 0.00 0.00 178.83 177.98 3gl9 h ILE 37 N -0.35 0.96 -0.17 2.39 2.04 -1.94 -1.31 117.51 119.13 3gl9 h ILE 37 Ca -0.01 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3gl9 h ILE 37 Cb 0.30 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3gl9 h ILE 37 CO 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 178.15 178.23 3gl9 h ALA 38 N 1.42 0.07 -0.44 1.87 0.00 -0.92 -1.15 119.26 120.11 3gl9 h ALA 38 Ca 0.37 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 3gl9 h ALA 38 Cb 0.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3gl9 h ALA 38 CO -0.21 -0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 178.43 3gl9 h LEU 39 N -0.06 0.70 -0.10 0.00 3.38 -0.81 0.91 115.31 119.32 3gl9 h LEU 39 Ca 0.09 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3gl9 h LEU 39 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3gl9 h LEU 39 CO -0.21 0.78 -0.03 -0.33 0.09 0.00 0.00 178.44 178.74 3gl9 h GLU 40 N 0.68 -0.01 -0.37 1.13 5.08 -0.90 -1.72 114.58 118.47 3gl9 h GLU 40 Ca 0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3gl9 h GLU 40 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3gl9 h GLU 40 CO 0.02 -0.01 -0.07 0.87 -1.00 0.00 0.00 179.01 178.83 3gl9 h LYS 41 N -0.01 0.62 0.00 2.33 1.57 -0.84 -2.69 116.57 117.55 3gl9 h LYS 41 Ca 0.05 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3gl9 h LYS 41 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3gl9 h LYS 41 CO -0.11 0.69 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.36 3gl9 h LEU 42 N 0.58 0.00 -1.57 2.94 3.38 -0.52 -1.19 115.31 118.93 3gl9 h LEU 42 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gl9 h LEU 42 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gl9 h LEU 42 CO 0.02 0.03 -0.12 0.77 0.09 0.00 0.00 178.44 179.24 3gl9 h SER 43 N 0.00 0.00 0.18 -0.43 4.64 -0.96 -3.29 113.55 113.69 3gl9 h SER 43 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3gl9 h SER 43 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3gl9 h SER 43 CO 0.00 0.12 -2.07 -0.62 -0.87 0.00 0.00 176.83 173.39 3gl9 n GLU 44 N -3.35 0.70 -3.68 4.77 -0.58 -0.47 -5.03 120.64 112.99 3gl9 n GLU 44 Ca -0.01 0.21 -0.11 0.00 -0.42 0.00 0.00 57.16 56.84 3gl9 n GLU 44 Cb 0.32 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.55 -0.16 -0.40 -0.32 -0.71 -1.05 -5.13 117.98 107.66 3gl9 s PHE 45 Ca -0.19 -0.12 -0.05 0.00 -1.04 0.00 0.00 56.93 55.54 3gl9 s PHE 45 Cb 0.07 0.20 0.09 0.00 -1.21 0.00 0.00 43.02 42.17 3gl9 s PHE 45 CO 0.76 -0.64 0.19 0.99 -1.34 0.00 0.00 175.22 175.18 3gl9 s THR 46 N -3.51 3.54 0.80 -4.49 2.01 -1.26 -4.40 115.64 108.33 3gl9 s THR 46 Ca 0.01 -1.75 -0.11 0.00 0.31 0.00 0.00 61.69 60.15 3gl9 s THR 46 Cb 0.02 -3.28 0.07 0.00 0.01 0.00 0.00 72.50 69.32 3gl9 s THR 46 CO -0.10 -0.55 1.09 -2.16 -0.69 0.00 0.00 174.62 172.21 3gl9 s PRO 47 N 1.25 2.03 0.45 4.92 0.04 -1.26 -4.94 135.00 137.48 3gl9 s PRO 47 Ca 0.04 0.97 0.25 0.00 0.04 0.00 0.00 61.00 62.31 3gl9 s PRO 47 Cb -0.23 -1.89 0.84 0.00 0.04 0.00 0.00 34.50 33.27 3gl9 s PRO 47 CO -0.02 -1.75 1.79 -0.44 0.04 0.00 0.00 177.00 176.62 3gl9 h ASP 48 N -1.20 0.00 -4.63 6.66 3.32 -1.33 -3.46 116.42 115.78 3gl9 h ASP 48 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 3gl9 h ASP 48 Cb 1.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 3gl9 h ASP 48 CO 0.54 0.17 0.05 -0.22 -1.72 0.00 0.00 179.24 178.06 3gl9 s LEU 49 N -6.52 -0.32 -0.12 1.55 2.96 -1.16 -4.43 118.68 110.64 3gl9 s LEU 49 Ca 0.02 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3gl9 s LEU 49 Cb 0.09 2.19 -0.01 0.00 0.50 0.00 0.00 46.19 48.96 3gl9 s LEU 49 CO 0.63 -0.44 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.42 3gl9 s ILE 50 N -0.67 2.73 -0.25 6.68 1.01 -0.47 -1.21 121.20 129.02 3gl9 s ILE 50 Ca -0.07 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3gl9 s ILE 50 Cb -0.02 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3gl9 s ILE 50 CO 0.06 0.53 0.11 -0.69 0.00 0.00 0.00 174.94 174.96 3gl9 s VAL 51 N 0.38 4.79 0.18 2.92 1.01 0.05 -1.14 120.40 128.58 3gl9 s VAL 51 Ca -0.13 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3gl9 s VAL 51 Cb -0.17 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3gl9 s VAL 51 CO 0.06 0.33 0.04 -0.11 0.00 0.00 0.00 175.10 175.43 3gl9 n LEU 52 N 4.69 0.00 0.06 3.92 7.94 0.26 -0.42 117.00 133.46 3gl9 n LEU 52 Ca -0.15 -1.27 0.00 0.00 -1.11 0.00 0.00 56.01 53.48 3gl9 n LEU 52 Cb 0.52 0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.81 3gl9 n LEU 52 CO 0.33 -0.19 0.00 -0.38 -1.11 0.00 0.00 177.39 176.03 3gl9 n ILE 54 N -0.41 0.77 -2.55 1.96 2.08 -1.26 -0.78 119.36 119.17 3gl9 n ILE 54 Ca -0.04 0.26 -0.42 0.00 0.56 0.00 0.00 62.75 63.10 3gl9 n ILE 54 Cb 0.25 -1.23 -0.02 0.00 -0.75 0.00 0.00 39.64 37.89 3gl9 n ILE 54 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3gl9 s MET 55 N -1.82 3.50 -0.04 0.38 -1.94 -1.26 -0.52 119.30 117.60 3gl9 s MET 55 Ca 0.00 0.33 -0.08 0.00 -1.71 0.00 0.00 55.69 54.22 3gl9 s MET 55 Cb 0.00 -4.02 0.01 0.00 2.01 0.00 0.00 34.83 32.83 3gl9 s MET 55 CO 0.00 -1.69 0.20 -1.64 -0.01 0.00 0.00 175.02 171.87 3gl9 s MET 56 N 5.00 0.39 0.94 2.03 -1.94 -1.26 -4.71 119.30 119.75 3gl9 s MET 56 Ca 0.45 -0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 54.30 3gl9 s MET 56 Cb -0.08 0.17 0.15 0.00 2.01 0.00 0.00 34.83 37.09 3gl9 s MET 56 CO 0.26 -0.08 1.09 -1.25 -0.01 0.00 0.00 175.02 175.03 3gl9 s PRO 57 N -0.61 0.89 0.00 2.03 0.04 -1.26 -3.78 135.00 132.31 3gl9 s PRO 57 Ca -0.07 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.67 3gl9 s PRO 57 Cb -0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3gl9 s PRO 57 CO 0.01 -2.46 0.00 0.28 0.04 0.00 0.00 177.00 174.87 3gl9 n VAL 58 N -4.02 0.00 -3.67 -0.36 0.31 -1.26 -4.48 118.33 104.86 3gl9 n VAL 58 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 3gl9 n VAL 58 Cb 0.56 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.36 0.74 5.55 -2.45 -1.26 -4.88 119.30 117.36 3gl9 s MET 59 Ca 0.00 1.00 -0.07 0.00 -1.25 0.00 0.00 55.69 55.37 3gl9 s MET 59 Cb 0.00 0.27 0.09 0.00 1.25 0.00 0.00 34.83 36.44 3gl9 s MET 59 CO 0.00 -0.23 1.05 0.16 1.05 0.00 0.00 175.02 177.06 3gl9 s ASP 60 N 2.32 4.47 0.34 1.11 3.84 -1.25 -1.87 116.67 125.63 3gl9 s ASP 60 Ca -0.04 0.26 0.06 0.00 -0.00 0.00 0.00 52.55 52.83 3gl9 s ASP 60 Cb -0.11 -0.77 0.60 0.00 -1.38 0.00 0.00 42.92 41.26 3gl9 s ASP 60 CO -0.13 -1.82 1.84 1.23 -0.00 0.00 0.00 175.17 176.29 3gl9 h GLY 61 N -0.74 0.44 0.96 2.12 0.00 -1.14 -2.05 103.07 102.66 3gl9 h GLY 61 Ca -0.43 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 3gl9 h GLY 61 CO 0.53 0.27 0.10 0.74 0.00 0.00 0.00 176.54 178.18 3gl9 h PHE 62 N 0.38 0.78 -0.31 5.60 0.05 -1.95 -0.88 116.94 120.61 3gl9 h PHE 62 Ca 0.07 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.77 3gl9 h PHE 62 Cb 0.45 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 3gl9 h PHE 62 CO 0.01 0.72 0.20 1.15 -0.18 0.00 0.00 178.31 180.21 3gl9 h THR 63 N 0.61 1.09 -0.25 -1.55 2.02 -1.89 -1.43 112.91 111.52 3gl9 h THR 63 Ca 0.14 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3gl9 h THR 63 Cb 0.34 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3gl9 h THR 63 CO 0.00 0.09 -0.25 0.58 0.37 0.00 0.00 175.52 176.31 3gl9 h VAL 64 N 0.41 0.37 -0.72 3.16 2.07 -1.15 -1.20 116.25 119.19 3gl9 h VAL 64 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 3gl9 h VAL 64 Cb -0.02 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3gl9 h VAL 64 CO -0.02 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.90 3gl9 h LEU 65 N -0.26 0.59 -0.40 2.57 3.38 -0.84 0.87 115.31 121.22 3gl9 h LEU 65 Ca 0.14 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gl9 h LEU 65 Cb 0.47 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3gl9 h LEU 65 CO -0.40 0.37 0.24 0.50 0.09 0.00 0.00 178.44 179.24 3gl9 h LYS 66 N 0.73 0.47 -0.11 1.13 3.64 -0.90 -2.44 116.57 119.08 3gl9 h LYS 66 Ca 0.33 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3gl9 h LYS 66 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3gl9 h LYS 66 CO -0.20 0.31 -0.39 0.87 -2.27 0.00 0.00 179.45 177.77 3gl9 h LYS 67 N 0.48 0.24 -0.84 1.90 1.57 -0.22 -2.63 116.57 117.07 3gl9 h LYS 67 Ca 0.16 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3gl9 h LYS 67 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3gl9 h LYS 67 CO -0.07 0.59 0.38 -0.07 -0.57 0.00 0.00 179.45 179.71 3gl9 h LEU 68 N 0.20 1.12 -1.36 2.94 3.38 -0.58 -2.99 115.31 118.02 3gl9 h LEU 68 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3gl9 h LEU 68 Cb 0.78 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gl9 h LEU 68 CO 0.06 0.96 -0.07 1.56 0.09 0.00 0.00 178.44 181.03 3gl9 h GLN 69 N 1.20 0.00 -0.01 1.13 1.08 -1.07 -2.77 115.11 114.68 3gl9 h GLN 69 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3gl9 h GLN 69 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3gl9 h GLN 69 CO -0.03 0.07 -0.23 -0.85 -0.95 0.00 0.00 178.83 176.84 3gl9 n GLU 70 N -3.21 0.65 -4.74 1.46 0.28 -1.13 -4.78 120.64 109.17 3gl9 n GLU 70 Ca 0.00 -0.33 -0.33 0.00 -0.16 0.00 0.00 57.16 56.35 3gl9 n GLU 70 Cb 0.34 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.57 3gl9 n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3gl9 s LYS 71 N -2.57 3.24 0.33 3.44 -0.14 -1.17 -5.01 119.74 117.86 3gl9 s LYS 71 Ca 0.24 -0.75 0.11 0.00 -1.36 0.00 0.00 55.97 54.20 3gl9 s LYS 71 Cb 0.19 -2.56 0.92 0.00 -1.68 0.00 0.00 37.83 34.70 3gl9 s LYS 71 CO 0.53 0.11 1.73 1.49 -0.76 0.00 0.00 175.35 178.45 3gl9 h GLU 72 N 6.99 0.54 0.00 1.68 4.22 -1.86 -0.28 114.58 125.87 3gl9 h GLU 72 Ca -0.28 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.13 3gl9 h GLU 72 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3gl9 h GLU 72 CO 0.55 0.35 0.00 0.93 -2.18 0.00 0.00 179.01 178.66 3gl9 h GLU 73 N 0.55 0.00 0.00 1.92 3.07 -1.95 -3.34 114.58 114.83 3gl9 h GLU 73 Ca 0.64 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.45 3gl9 h GLU 73 Cb 1.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3gl9 h GLU 73 CO -0.45 0.00 -1.50 0.91 -1.40 0.00 0.00 179.01 176.57 3gl9 n TRP 74 N -3.03 0.00 0.29 4.33 8.01 -0.20 -4.71 117.44 122.12 3gl9 n TRP 74 Ca 0.01 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.38 3gl9 n TRP 74 Cb 0.34 -0.29 0.77 0.00 -2.01 0.00 0.00 31.31 30.12 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 -0.02 -0.99 2.10 -1.05 -2.47 116.57 114.14 3gl9 h LYS 75 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3gl9 h LYS 75 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 3gl9 h LYS 75 CO 0.00 0.02 -0.29 0.54 -2.00 0.00 0.00 179.45 177.72 3gl9 n ARG 76 N -3.13 1.33 -2.15 0.07 1.74 -1.26 -4.91 116.66 108.36 3gl9 n ARG 76 Ca -0.00 -1.00 -0.42 0.00 -0.77 0.00 0.00 57.85 55.66 3gl9 n ARG 76 Cb 0.27 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3gl9 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gl9 s ILE 77 N -2.36 3.44 0.27 0.55 1.01 -0.93 -4.97 121.20 118.21 3gl9 s ILE 77 Ca 0.24 0.92 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 3gl9 s ILE 77 Cb 0.19 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 3gl9 s ILE 77 CO 0.49 0.02 1.31 -2.84 0.00 0.00 0.00 174.94 173.93 3gl9 s PRO 78 N 2.00 4.37 -0.09 2.79 0.02 -1.26 -4.92 135.00 137.92 3gl9 s PRO 78 Ca 0.66 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.85 3gl9 s PRO 78 Cb -0.35 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.06 3gl9 s PRO 78 CO 0.29 -0.22 -0.14 0.08 -0.33 0.00 0.00 177.00 176.68 3gl9 s VAL 79 N -0.52 1.35 -0.27 3.83 1.01 -1.26 -1.37 120.40 123.17 3gl9 s VAL 79 Ca 0.53 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 3gl9 s VAL 79 Cb -0.38 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3gl9 s VAL 79 CO 0.45 0.41 0.09 -0.63 0.00 0.00 0.00 175.10 175.43 3gl9 s ILE 80 N 0.83 4.39 -0.05 2.22 1.01 -0.29 -0.26 121.20 129.04 3gl9 s ILE 80 Ca -0.11 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3gl9 s ILE 80 Cb -0.15 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3gl9 s ILE 80 CO 0.01 0.25 0.95 -0.69 0.00 0.00 0.00 174.94 175.47 3gl9 s VAL 81 N 1.61 4.86 -0.23 2.92 1.01 0.16 -0.57 120.40 130.16 3gl9 s VAL 81 Ca 0.06 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.02 3gl9 s VAL 81 Cb -0.16 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.00 3gl9 s VAL 81 CO 0.04 0.11 -0.07 -0.22 0.00 0.00 0.00 175.10 174.96 3gl9 s LEU 82 N 1.41 2.53 -0.01 3.92 0.20 0.04 0.48 118.68 127.25 3gl9 s LEU 82 Ca 0.49 -1.11 -0.11 0.00 0.69 0.00 0.00 54.13 54.09 3gl9 s LEU 82 Cb -0.19 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.38 3gl9 s LEU 82 CO 0.23 -0.21 0.22 0.28 -0.29 0.00 0.00 176.35 176.58 3gl9 s THR 83 N 1.39 0.07 -0.14 3.68 -1.32 -0.63 -4.34 115.64 114.34 3gl9 s THR 83 Ca -0.05 -0.54 0.29 0.00 -1.21 0.00 0.00 61.69 60.18 3gl9 s THR 83 Cb -0.18 -0.51 0.32 0.00 -1.51 0.00 0.00 72.50 70.62 3gl9 s THR 83 CO -0.07 -0.30 1.87 0.00 -2.21 0.00 0.00 174.62 173.92 3gl9 h ALA 84 N 4.20 1.00 -2.60 11.08 0.00 -1.88 -0.45 119.26 130.61 3gl9 h ALA 84 Ca -0.30 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 3gl9 h ALA 84 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3gl9 h ALA 84 CO 0.40 0.00 0.18 0.15 0.00 0.00 0.00 179.25 179.98 3gl9 s LYS 85 N -3.53 4.47 0.55 0.00 1.02 -1.26 -4.73 119.74 116.26 3gl9 s LYS 85 Ca 0.02 1.04 0.04 0.00 0.02 0.00 0.00 55.97 57.08 3gl9 s LYS 85 Cb 0.09 -3.45 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3gl9 s LYS 85 CO 0.45 0.02 0.30 0.41 -0.92 0.00 0.00 175.35 175.61 3gl9 n GLY 86 N 3.06 2.98 0.00 -3.33 0.00 -1.26 -4.92 105.19 101.71 3gl9 n GLY 86 Ca 0.01 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3gl9 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gl9 n GLY 87 N -1.64 2.71 0.26 -0.02 0.00 -1.26 -4.70 105.19 100.55 3gl9 n GLY 87 Ca -0.08 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 44.17 3gl9 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gl9 h GLU 88 N 0.00 0.46 -0.28 1.61 5.08 -1.99 -2.97 114.58 116.48 3gl9 h GLU 88 Ca 0.00 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3gl9 h GLU 88 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3gl9 h GLU 88 CO 0.00 0.53 -0.04 1.49 -1.00 0.00 0.00 179.01 179.99 3gl9 h GLU 89 N 0.43 0.53 -0.39 2.33 4.81 -1.99 0.43 114.58 120.73 3gl9 h GLU 89 Ca 0.09 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3gl9 h GLU 89 Cb 0.39 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3gl9 h GLU 89 CO 0.02 0.72 0.22 -0.44 -0.73 0.00 0.00 179.01 178.80 3gl9 h ASP 90 N 0.30 0.34 -0.00 1.04 3.32 -1.83 -0.15 116.42 119.44 3gl9 h ASP 90 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gl9 h ASP 90 Cb 0.51 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3gl9 h ASP 90 CO 0.02 0.25 0.00 -0.08 -1.72 0.00 0.00 179.24 177.71 3gl9 h GLU 91 N 0.44 0.00 -0.16 3.56 4.81 -1.35 -1.33 114.58 120.56 3gl9 h GLU 91 Ca 0.16 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3gl9 h GLU 91 Cb 0.03 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3gl9 h GLU 91 CO -0.09 0.00 0.09 1.03 -0.73 0.00 0.00 179.01 179.32 3gl9 h SER 92 N 0.00 0.19 -0.11 1.04 0.87 -0.78 -1.14 113.55 113.62 3gl9 h SER 92 Ca 0.00 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3gl9 h SER 92 Cb 0.00 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3gl9 h SER 92 CO -0.00 0.19 0.02 0.25 -0.53 0.00 0.00 176.83 176.76 3gl9 h LEU 93 N 0.18 0.01 -0.23 2.23 5.85 -0.99 0.12 115.31 122.49 3gl9 h LEU 93 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3gl9 h LEU 93 Cb 0.04 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3gl9 h LEU 93 CO -0.01 0.03 0.14 0.00 -0.34 0.00 0.00 178.44 178.26 3gl9 h ALA 94 N 1.07 0.28 -0.77 1.25 0.00 -1.10 -1.23 119.26 118.77 3gl9 h ALA 94 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gl9 h ALA 94 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3gl9 h ALA 94 CO -0.06 -0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.23 3gl9 h LEU 95 N 0.29 1.02 -2.20 0.00 3.38 -1.09 -1.65 115.31 115.06 3gl9 h LEU 95 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gl9 h LEU 95 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3gl9 h LEU 95 CO -0.03 0.88 -0.03 0.77 0.09 0.00 0.00 178.44 180.12 3gl9 h SER 96 N 1.09 0.00 -0.23 -0.43 4.64 -0.10 -1.28 113.55 117.23 3gl9 h SER 96 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gl9 h SER 96 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3gl9 h SER 96 CO -0.03 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3gl9 n LEU 97 N -3.27 3.05 0.00 5.97 4.77 -0.52 -4.96 117.00 122.04 3gl9 n LEU 97 Ca -0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3gl9 n LEU 97 Cb 0.19 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gl9 n LEU 97 CO 0.25 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3gl9 n GLY 98 N 1.41 1.20 3.77 -0.72 0.00 -0.48 -4.30 105.19 106.06 3gl9 n GLY 98 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3gl9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gl9 s ALA 99 N -2.00 2.84 -0.08 4.61 0.00 -0.67 -4.68 121.76 121.77 3gl9 s ALA 99 Ca 0.00 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 3gl9 s ALA 99 Cb 0.00 -3.41 -0.28 0.00 0.00 0.00 0.00 23.12 19.43 3gl9 s ALA 99 CO 0.00 -0.83 0.58 0.00 0.00 0.00 0.00 175.76 175.52 3gl9 h ARG 100 N 1.64 0.31 -3.47 0.00 2.47 -0.96 -3.41 114.38 110.95 3gl9 h ARG 100 Ca -0.50 -0.52 -0.16 0.00 -1.26 0.00 0.00 59.98 57.54 3gl9 h ARG 100 Cb 1.26 0.19 -0.23 0.00 -1.65 0.00 0.00 29.97 29.55 3gl9 h ARG 100 CO 0.58 1.25 -0.51 0.21 0.56 0.00 0.00 179.97 182.06 3gl9 s LYS 101 N -2.52 0.38 -0.12 0.04 2.36 -1.12 -5.04 119.74 113.72 3gl9 s LYS 101 Ca -0.19 -0.20 0.02 0.00 -2.55 0.00 0.00 55.97 53.06 3gl9 s LYS 101 Cb 0.05 0.16 0.01 0.00 -1.05 0.00 0.00 37.83 37.00 3gl9 s LYS 101 CO 0.80 -0.08 -0.19 0.08 1.55 0.00 0.00 175.35 177.50 3gl9 s VAL 102 N -0.90 1.82 0.13 4.02 1.01 -1.26 -0.66 120.40 124.55 3gl9 s VAL 102 Ca -0.10 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.11 3gl9 s VAL 102 Cb -0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3gl9 s VAL 102 CO 0.01 0.50 -0.16 -0.04 0.00 0.00 0.00 175.10 175.41 3gl9 s MET 103 N 0.81 1.11 -0.08 2.72 -1.94 0.18 -4.96 119.30 117.14 3gl9 s MET 103 Ca -0.09 -1.27 -0.04 0.00 -1.71 0.00 0.00 55.69 52.58 3gl9 s MET 103 Cb -0.16 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 3gl9 s MET 103 CO -0.00 0.22 0.08 1.03 -0.01 0.00 0.00 175.02 176.34 3gl9 s ARG 104 N -2.58 3.20 0.28 2.03 1.81 -1.26 -1.60 118.95 120.83 3gl9 s ARG 104 Ca 0.10 -0.31 -0.06 0.00 -1.72 0.00 0.00 55.73 53.74 3gl9 s ARG 104 Cb -0.06 -2.98 -0.06 0.00 -0.45 0.00 0.00 34.95 31.41 3gl9 s ARG 104 CO 0.04 0.72 0.55 0.15 -0.68 0.00 0.00 175.30 176.09 3gl9 s LYS 105 N -1.19 3.66 0.22 3.54 1.02 -0.18 -4.01 119.74 122.81 3gl9 s LYS 105 Ca 0.17 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.91 3gl9 s LYS 105 Cb -0.12 -2.64 -0.11 0.00 -0.52 0.00 0.00 37.83 34.44 3gl9 s LYS 105 CO 0.06 0.23 1.56 -1.25 -0.92 0.00 0.00 175.35 175.03 3gl9 s PRO 106 N -3.42 4.19 0.24 -1.68 0.04 -1.26 -4.64 135.00 128.47 3gl9 s PRO 106 Ca 0.45 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.62 3gl9 s PRO 106 Cb -0.11 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 3gl9 s PRO 106 CO 0.29 -0.58 1.05 -0.59 0.04 0.00 0.00 177.00 177.20 3gl9 s PHE 107 N 0.58 3.71 -0.50 0.56 -0.71 -1.26 -4.99 117.98 115.38 3gl9 s PHE 107 Ca 0.66 1.75 -0.20 0.00 -1.04 0.00 0.00 56.93 58.11 3gl9 s PHE 107 Cb -0.45 -3.19 0.05 0.00 -1.21 0.00 0.00 43.02 38.23 3gl9 s PHE 107 CO 0.38 -0.24 0.64 0.45 -1.34 0.00 0.00 175.22 175.11 3gl9 s SER 108 N -0.79 6.24 0.23 1.98 0.15 -1.26 -4.97 113.70 115.27 3gl9 s SER 108 Ca 0.44 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 3gl9 s SER 108 Cb -0.29 -2.30 0.39 0.00 -1.71 0.00 0.00 66.02 62.10 3gl9 s SER 108 CO 0.37 -0.89 1.76 -0.65 1.20 0.00 0.00 173.24 175.02 3gl9 h PRO 109 N 8.99 0.51 -0.45 5.44 0.11 -1.99 -1.48 132.00 143.14 3gl9 h PRO 109 Ca -0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3gl9 h PRO 109 Cb 1.09 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3gl9 h PRO 109 CO 0.96 0.34 0.07 0.66 -0.21 0.00 0.00 178.00 179.81 3gl9 h SER 110 N 0.53 0.72 -0.59 -2.05 4.64 -1.99 -0.11 113.55 114.69 3gl9 h SER 110 Ca 0.38 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3gl9 h SER 110 Cb 0.48 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3gl9 h SER 110 CO -0.33 0.80 0.11 1.56 -0.87 0.00 0.00 176.83 178.10 3gl9 h GLN 111 N 0.61 0.97 0.47 4.77 4.20 -1.92 -1.86 115.11 122.34 3gl9 h GLN 111 Ca 0.14 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3gl9 h GLN 111 Cb 0.39 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3gl9 h GLN 111 CO 0.01 0.91 -0.24 0.35 -0.67 0.00 0.00 178.83 179.19 3gl9 h PHE 112 N 0.87 -0.62 -0.93 2.96 3.57 -1.06 -2.34 116.94 119.39 3gl9 h PHE 112 Ca 0.18 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3gl9 h PHE 112 Cb 0.40 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 3gl9 h PHE 112 CO 0.03 -0.38 0.61 0.82 -2.23 0.00 0.00 178.31 177.15 3gl9 h ILE 113 N -0.65 1.13 -0.61 1.41 1.08 -0.95 -0.26 117.51 118.65 3gl9 h ILE 113 Ca -0.06 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3gl9 h ILE 113 Cb 0.51 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 3gl9 h ILE 113 CO 0.09 0.21 0.39 -0.08 -0.69 0.00 0.00 178.15 178.07 3gl9 h GLU 114 N 1.12 0.81 -0.51 2.37 4.81 -1.23 0.67 114.58 122.63 3gl9 h GLU 114 Ca 0.38 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3gl9 h GLU 114 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3gl9 h GLU 114 CO -0.13 0.56 0.07 1.49 -0.73 0.00 0.00 179.01 180.27 3gl9 h GLU 115 N 0.83 0.86 -0.42 1.92 4.57 -0.70 0.37 114.58 122.01 3gl9 h GLU 115 Ca 0.22 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3gl9 h GLU 115 Cb -0.06 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 3gl9 h GLU 115 CO -0.05 0.86 0.17 0.28 -1.18 0.00 0.00 179.01 179.09 3gl9 h VAL 116 N 0.74 0.91 -0.66 0.32 2.07 -0.79 -2.00 116.25 116.83 3gl9 h VAL 116 Ca 0.15 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3gl9 h VAL 116 Cb 0.43 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3gl9 h VAL 116 CO 0.01 0.06 0.36 0.11 0.02 0.00 0.00 177.57 178.14 3gl9 h LYS 117 N 0.35 0.65 -0.98 1.57 1.57 -0.58 -0.57 116.57 118.58 3gl9 h LYS 117 Ca 0.19 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 3gl9 h LYS 117 Cb 0.15 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 3gl9 h LYS 117 CO -0.17 0.43 0.61 0.45 -0.57 0.00 0.00 179.45 180.20 3gl9 h HIS 118 N 0.67 0.98 0.00 -1.35 3.86 -0.19 -1.21 115.15 117.91 3gl9 h HIS 118 Ca 0.30 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.32 3gl9 h HIS 118 Cb 0.20 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3gl9 h HIS 118 CO -0.08 0.27 -1.58 1.28 0.86 0.00 0.00 177.93 178.68 3gl9 n LEU 119 N -4.67 0.81 -0.10 2.43 4.77 -0.92 -4.64 117.00 114.67 3gl9 n LEU 119 Ca 0.21 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.40 3gl9 n LEU 119 Cb 0.54 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3gl9 n LEU 119 CO 0.25 0.24 -0.82 0.18 -1.33 0.00 0.00 177.39 175.92 3gl9 n LEU 120 N -2.93 1.91 -0.21 2.23 4.77 -0.27 -5.09 117.00 117.42 3gl9 n LEU 120 Ca -0.13 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.40 3gl9 n LEU 120 Cb 0.93 -0.82 0.76 0.00 -2.33 0.00 0.00 43.42 41.96 3gl9 n LEU 120 CO 0.44 0.01 1.00 -0.46 -1.33 0.00 0.00 177.39 177.05