#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7q s ILE 2 N 0.00 5.09 -0.02 0.53 1.01 -1.26 -4.99 121.20 121.55 1a7q s ILE 2 Ca 0.00 1.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.80 1a7q s ILE 2 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1a7q s ILE 2 CO 0.00 0.24 0.19 0.68 0.00 0.00 0.00 174.94 176.05 1a7q s VAL 3 N 1.07 5.42 -0.09 2.92 -7.23 -1.26 -4.76 120.40 116.47 1a7q s VAL 3 Ca 0.31 -0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1a7q s VAL 3 Cb -0.16 -3.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1a7q s VAL 3 CO 0.13 0.38 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.41 1a7q s LEU 4 N -1.75 2.76 -0.09 1.32 1.43 -1.26 -0.39 118.68 120.70 1a7q s LEU 4 Ca 0.25 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1a7q s LEU 4 Cb -0.13 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1a7q s LEU 4 CO 0.16 0.27 -0.24 -0.89 0.23 0.00 0.00 176.35 175.88 1a7q s THR 5 N -0.25 2.01 -0.02 5.49 2.01 0.29 -4.00 115.64 121.16 1a7q s THR 5 Ca 0.02 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1a7q s THR 5 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1a7q s THR 5 CO 0.03 0.55 0.05 -1.10 -0.69 0.00 0.00 174.62 173.46 1a7q s GLN 6 N 0.23 2.99 -0.05 4.92 -0.21 -1.26 -0.05 119.66 126.23 1a7q s GLN 6 Ca -0.15 -0.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1a7q s GLN 6 Cb -0.17 -2.81 0.02 0.00 1.00 0.00 0.00 33.01 31.05 1a7q s GLN 6 CO 0.07 0.65 0.25 -1.54 -2.12 0.00 0.00 175.29 172.61 1a7q s SER 7 N -1.54 -0.18 0.93 5.90 1.04 0.29 -4.28 113.70 115.85 1a7q s SER 7 Ca 0.20 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 1a7q s SER 7 Cb -0.12 0.40 0.15 0.00 0.10 0.00 0.00 66.02 66.55 1a7q s SER 7 CO 0.11 -0.27 1.18 -2.16 0.98 0.00 0.00 173.24 173.08 1a7q s PRO 8 N -0.66 0.97 0.13 4.02 0.04 -1.26 -0.65 135.00 137.59 1a7q s PRO 8 Ca -0.08 0.09 0.02 0.00 0.04 0.00 0.00 61.00 61.07 1a7q s PRO 8 Cb -0.04 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1a7q s PRO 8 CO 0.02 -2.27 1.29 0.00 0.04 0.00 0.00 177.00 176.08 1a7q h ALA 9 N -1.55 0.36 -2.78 8.56 0.00 -1.82 -3.41 119.26 118.61 1a7q h ALA 9 Ca -0.48 -0.81 -0.16 0.00 0.00 0.00 0.00 54.91 53.46 1a7q h ALA 9 Cb 1.31 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 1a7q h ALA 9 CO 0.56 1.01 -0.69 -1.12 0.00 0.00 0.00 179.25 179.01 1a7q s SER 10 N -6.94 0.30 -0.21 0.00 0.01 -1.26 -0.32 113.70 105.28 1a7q s SER 10 Ca -0.02 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.49 1a7q s SER 10 Cb 0.09 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.52 1a7q s SER 10 CO 0.84 -0.38 0.52 -0.22 0.41 0.00 0.00 173.24 174.41 1a7q s LEU 11 N -1.84 -0.36 -0.10 2.44 2.96 -0.43 -4.92 118.68 116.44 1a7q s LEU 11 Ca -0.10 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1a7q s LEU 11 Cb -0.05 1.76 -0.04 0.00 0.50 0.00 0.00 46.19 48.36 1a7q s LEU 11 CO -0.03 -0.21 0.04 -0.44 -1.32 0.00 0.00 176.35 174.39 1a7q s SER 12 N 1.30 5.58 0.15 3.68 0.01 -1.26 -0.73 113.70 122.43 1a7q s SER 12 Ca -0.08 0.22 -0.13 0.00 1.31 0.00 0.00 55.95 57.27 1a7q s SER 12 Cb -0.07 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.49 1a7q s SER 12 CO -0.13 0.37 0.36 0.00 0.41 0.00 0.00 173.24 174.25 1a7q s ALA 13 N -0.79 -0.56 0.33 1.44 0.00 0.11 -4.95 121.76 117.34 1a7q s ALA 13 Ca 0.12 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1a7q s ALA 13 Cb -0.12 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1a7q s ALA 13 CO 0.03 -0.66 0.22 -1.12 0.00 0.00 0.00 175.76 174.23 1a7q s SER 14 N -2.87 5.10 0.47 0.00 0.01 -1.26 -4.21 113.70 110.93 1a7q s SER 14 Ca 0.09 -0.56 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 1a7q s SER 14 Cb 0.02 -0.94 -0.10 0.00 0.21 0.00 0.00 66.02 65.22 1a7q s SER 14 CO -0.06 -0.29 0.89 0.52 0.41 0.00 0.00 173.24 174.70 1a7q n VAL 15 N -1.27 2.54 0.00 3.43 0.31 -1.26 -1.67 118.33 120.41 1a7q n VAL 15 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1a7q n VAL 15 Cb 0.60 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1a7q n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a7q n GLY 16 N 1.35 2.86 3.83 2.92 0.00 0.63 -4.80 105.19 111.97 1a7q n GLY 16 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1a7q n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a7q s GLU 17 N -0.17 2.85 -0.17 1.61 2.12 -0.67 -3.93 118.70 120.35 1a7q s GLU 17 Ca 0.00 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.14 1a7q s GLU 17 Cb 0.00 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1a7q s GLU 17 CO 0.00 -1.13 -0.06 0.99 -0.54 0.00 0.00 175.26 174.52 1a7q s THR 18 N -3.10 3.54 0.13 -1.70 2.01 -1.26 0.10 115.64 115.36 1a7q s THR 18 Ca 0.58 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1a7q s THR 18 Cb -0.14 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1a7q s THR 18 CO 0.55 0.48 -0.11 0.68 -0.69 0.00 0.00 174.62 175.53 1a7q s VAL 19 N 0.67 1.16 -0.04 3.82 -7.23 0.53 -4.94 120.40 114.37 1a7q s VAL 19 Ca -0.03 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1a7q s VAL 19 Cb -0.15 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.11 1a7q s VAL 19 CO 0.02 -0.65 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.17 1a7q s THR 20 N -2.93 0.92 0.02 5.32 2.01 -1.26 -0.30 115.64 119.42 1a7q s THR 20 Ca 0.13 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1a7q s THR 20 Cb 0.00 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1a7q s THR 20 CO 0.01 0.30 -0.21 0.27 -0.69 0.00 0.00 174.62 174.30 1a7q s ILE 21 N 0.49 1.64 -0.03 1.82 -4.36 0.37 -4.77 121.20 116.36 1a7q s ILE 21 Ca -0.09 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.29 1a7q s ILE 21 Cb -0.13 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 1a7q s ILE 21 CO 0.02 0.31 -0.16 -0.89 0.24 0.00 0.00 174.94 174.46 1a7q s THR 22 N -0.66 2.90 -0.15 8.37 2.01 0.18 -0.04 115.64 128.25 1a7q s THR 22 Ca 0.08 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1a7q s THR 22 Cb -0.08 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1a7q s THR 22 CO 0.01 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 174.36 1a7q s ARG 24 N 1.53 2.63 -0.04 0.00 0.52 0.92 -1.69 118.95 122.82 1a7q s ARG 24 Ca 0.04 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1a7q s ARG 24 Cb -0.13 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1a7q s ARG 24 CO -0.10 0.55 0.13 0.00 0.02 0.00 0.00 175.30 175.90 1a7q s ALA 25 N -0.55 3.77 -1.94 2.13 0.00 0.04 0.10 121.76 125.31 1a7q s ALA 25 Ca 0.08 -0.77 0.31 0.00 0.00 0.00 0.00 51.96 51.57 1a7q s ALA 25 Cb -0.11 -1.78 1.61 0.00 0.00 0.00 0.00 23.12 22.83 1a7q s ALA 25 CO 0.01 0.69 2.07 0.41 0.00 0.00 0.00 175.76 178.94 1a7q n GLY 26 N 1.38 -0.88 3.62 0.00 0.00 0.48 -4.77 105.19 105.02 1a7q n GLY 26 Ca -0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1a7q n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a7q s GLY 27 N -2.16 -0.38 0.03 -0.02 0.00 -1.26 -4.89 107.32 98.64 1a7q s GLY 27 Ca 0.41 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 1a7q s GLY 27 CO 0.39 0.09 1.77 0.21 0.00 0.00 0.00 173.10 175.56 1a7q s ASN 28 N -2.79 6.56 0.00 1.64 3.84 -1.26 -4.69 114.94 118.24 1a7q s ASN 28 Ca 0.06 2.49 0.23 0.00 0.21 0.00 0.00 52.86 55.85 1a7q s ASN 28 Cb -0.03 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 1a7q s ASN 28 CO -0.04 -0.96 1.10 0.35 -2.79 0.00 0.00 177.10 174.76 1a7q n THR 29 N 5.22 0.00 -4.14 -5.21 -2.24 -1.18 -5.01 114.28 101.73 1a7q n THR 29 Ca 0.18 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1a7q n THR 29 Cb 0.41 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 69.89 1a7q n THR 29 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1a7q n HIS 30 N 0.05 -1.77 -0.82 4.78 8.25 -1.26 -1.29 115.22 123.17 1a7q n HIS 30 Ca 0.10 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 1a7q n HIS 30 Cb 0.48 -3.23 0.00 0.00 1.12 0.00 0.00 29.99 28.36 1a7q n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a7q n ASN 31 N -2.75 -1.68 -4.17 0.41 4.13 -1.26 -4.90 115.26 105.03 1a7q n ASN 31 Ca -0.02 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 1a7q n ASN 31 Cb 0.54 -1.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1a7q n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a7q n TYR 32 N -2.16 3.99 -4.17 3.10 4.02 -0.41 -3.18 117.16 118.36 1a7q n TYR 32 Ca 0.00 -3.05 -0.21 0.00 -0.01 0.00 0.00 57.90 54.63 1a7q n TYR 32 Cb 0.10 -2.14 -0.16 0.00 -0.02 0.00 0.00 39.34 37.11 1a7q n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1a7q s LEU 33 N 1.08 1.30 0.27 7.72 2.96 -1.26 -0.39 118.68 130.36 1a7q s LEU 33 Ca 0.43 -0.15 0.11 0.00 -0.22 0.00 0.00 54.13 54.30 1a7q s LEU 33 Cb 0.04 -0.50 -0.05 0.00 0.50 0.00 0.00 46.19 46.18 1a7q s LEU 33 CO 0.00 -0.06 -0.19 0.00 -1.32 0.00 0.00 176.35 174.78 1a7q s ALA 34 N 0.99 2.64 0.03 5.97 0.00 0.10 -1.48 121.76 130.02 1a7q s ALA 34 Ca -0.10 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.09 1a7q s ALA 34 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1a7q s ALA 34 CO -0.00 0.25 -0.20 -1.58 0.00 0.00 0.00 175.76 174.23 1a7q s TRP 35 N -2.56 1.74 0.03 0.00 0.52 -0.53 -1.34 118.94 116.81 1a7q s TRP 35 Ca 0.29 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.07 1a7q s TRP 35 Cb -0.04 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1a7q s TRP 35 CO 0.14 0.07 -0.08 0.71 0.02 0.00 0.00 176.95 177.80 1a7q s TYR 36 N -0.75 0.74 -0.00 -1.98 2.02 -0.12 -0.03 117.35 117.22 1a7q s TYR 36 Ca 0.07 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1a7q s TYR 36 Cb -0.08 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.00 1a7q s TYR 36 CO 0.01 -0.04 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.71 1a7q s GLN 37 N -1.18 2.46 -0.07 -0.62 0.74 0.39 -1.41 119.66 119.98 1a7q s GLN 37 Ca -0.05 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.61 1a7q s GLN 37 Cb -0.08 -2.43 0.02 0.00 1.10 0.00 0.00 33.01 31.63 1a7q s GLN 37 CO 0.00 0.60 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.14 1a7q s GLN 38 N -1.27 1.17 0.21 1.67 0.74 0.18 -0.47 119.66 121.88 1a7q s GLN 38 Ca 0.15 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.43 1a7q s GLN 38 Cb -0.11 -1.18 -0.03 0.00 1.10 0.00 0.00 33.01 32.79 1a7q s GLN 38 CO 0.06 -0.14 0.31 0.15 -0.55 0.00 0.00 175.29 175.12 1a7q s LYS 39 N 1.25 3.38 -0.05 1.67 1.02 -1.26 -0.69 119.74 125.06 1a7q s LYS 39 Ca -0.05 -0.74 -0.38 0.00 0.02 0.00 0.00 55.97 54.82 1a7q s LYS 39 Cb -0.14 -2.88 -0.16 0.00 -0.52 0.00 0.00 37.83 34.14 1a7q s LYS 39 CO -0.02 0.46 1.52 0.94 -0.92 0.00 0.00 175.35 177.33 1a7q n GLN 40 N -1.09 1.25 -1.05 1.68 -0.06 -1.26 -1.32 117.38 115.54 1a7q n GLN 40 Ca -0.08 0.45 -0.02 0.00 -2.00 0.00 0.00 57.00 55.35 1a7q n GLN 40 Cb 0.56 -2.13 -0.01 0.00 -4.06 0.00 0.00 30.24 24.61 1a7q n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a7q n GLY 41 N 3.24 0.42 3.38 1.69 0.00 -1.26 -4.99 105.19 107.68 1a7q n GLY 41 Ca 0.21 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1a7q n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7q s LYS 42 N -1.22 1.45 0.48 1.61 0.00 -0.43 -5.15 119.74 116.47 1a7q s LYS 42 Ca 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 55.97 54.17 1a7q s LYS 42 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 37.83 36.78 1a7q s LYS 42 CO 0.00 0.03 0.82 -1.54 0.00 0.00 0.00 175.35 174.66 1a7q s SER 43 N -3.38 6.36 0.66 0.03 1.04 -1.26 -4.55 113.70 112.60 1a7q s SER 43 Ca 0.28 1.10 -0.18 0.00 0.48 0.00 0.00 55.95 57.63 1a7q s SER 43 Cb 0.03 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1a7q s SER 43 CO 0.10 -0.56 1.23 -2.65 0.98 0.00 0.00 173.24 172.34 1a7q n PRO 44 N -1.96 1.00 -4.90 4.02 -0.02 -1.26 -4.55 135.00 127.32 1a7q n PRO 44 Ca 0.02 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.62 1a7q n PRO 44 Cb 0.54 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 1a7q n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a7q s GLN 45 N -3.35 2.15 0.26 -0.52 -0.21 0.38 -4.92 119.66 113.45 1a7q s GLN 45 Ca 0.81 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 55.25 1a7q s GLN 45 Cb -0.38 -1.75 -0.10 0.00 1.00 0.00 0.00 33.01 31.78 1a7q s GLN 45 CO 0.42 0.18 1.44 -1.17 -2.12 0.00 0.00 175.29 174.03 1a7q s LEU 46 N 0.28 4.39 -0.08 2.90 2.96 -1.26 -0.46 118.68 127.40 1a7q s LEU 46 Ca -0.11 2.68 -0.03 0.00 -0.22 0.00 0.00 54.13 56.45 1a7q s LEU 46 Cb -0.15 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1a7q s LEU 46 CO 0.05 -0.70 -0.10 0.18 -1.32 0.00 0.00 176.35 174.45 1a7q n LEU 47 N 2.23 1.13 -4.01 -0.68 4.77 0.95 -4.72 117.00 116.66 1a7q n LEU 47 Ca 0.06 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1a7q n LEU 47 Cb 0.40 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1a7q n LEU 47 CO 0.61 0.28 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.87 1a7q s VAL 48 N -2.16 0.36 0.10 4.08 1.01 -1.13 0.54 120.40 123.21 1a7q s VAL 48 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1a7q s VAL 48 Cb 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1a7q s VAL 48 CO 0.16 -0.34 0.09 -0.72 0.00 0.00 0.00 175.10 174.29 1a7q s TYR 49 N -1.17 0.51 -1.45 5.22 1.13 0.05 -1.45 117.35 120.19 1a7q s TYR 49 Ca -0.10 -0.96 -0.07 0.00 -1.41 0.00 0.00 57.07 54.54 1a7q s TYR 49 Cb -0.08 -0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.49 1a7q s TYR 49 CO -0.00 -0.50 0.23 0.98 -2.51 0.00 0.00 175.55 173.74 1a7q n TYR 50 N -0.03 -1.39 0.00 -3.49 9.36 -1.12 -0.78 117.16 119.71 1a7q n TYR 50 Ca -0.11 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1a7q n TYR 50 Cb 0.62 -3.02 0.00 0.00 -0.63 0.00 0.00 39.34 36.31 1a7q n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a7q n THR 51 N -4.61 0.00 0.03 2.97 -1.04 -0.55 -4.04 114.28 107.03 1a7q n THR 51 Ca -0.28 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.73 1a7q n THR 51 Cb 0.67 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.17 1a7q n THR 51 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a7q n THR 52 N 0.00 0.00 -2.68 12.58 -2.24 -1.19 -3.63 114.28 117.13 1a7q n THR 52 Ca 0.00 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1a7q n THR 52 Cb 0.00 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1a7q n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a7q s THR 53 N -1.49 4.76 0.36 4.28 2.01 0.04 -4.58 115.64 121.03 1a7q s THR 53 Ca 0.00 2.02 -0.25 0.00 0.31 0.00 0.00 61.69 63.77 1a7q s THR 53 Cb 0.01 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1a7q s THR 53 CO 0.05 0.03 1.02 -0.76 -0.69 0.00 0.00 174.62 174.26 1a7q s LEU 54 N 1.85 4.24 0.95 4.42 1.43 -1.26 -0.77 118.68 129.53 1a7q s LEU 54 Ca 0.49 1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 1a7q s LEU 54 Cb -0.19 -4.09 0.19 0.00 0.03 0.00 0.00 46.19 42.12 1a7q s LEU 54 CO 0.20 -0.32 1.28 0.00 0.23 0.00 0.00 176.35 177.74 1a7q s ALA 55 N -1.61 2.19 0.22 4.21 0.00 0.19 -4.90 121.76 122.05 1a7q s ALA 55 Ca 0.54 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 1a7q s ALA 55 Cb -0.21 -2.82 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1a7q s ALA 55 CO 0.27 -2.39 1.59 0.00 0.00 0.00 0.00 175.76 175.23 1a7q s ALA 56 N -3.77 3.78 -0.59 0.00 0.00 -1.26 -1.99 121.76 117.92 1a7q s ALA 56 Ca 0.72 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1a7q s ALA 56 Cb -0.06 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1a7q s ALA 56 CO 0.53 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1a7q n GLY 57 N 3.18 0.75 3.75 0.00 0.00 -1.26 -4.99 105.19 106.63 1a7q n GLY 57 Ca 0.12 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1a7q n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a7q s VAL 58 N -1.98 4.83 0.49 1.61 1.01 -0.84 -5.01 120.40 120.51 1a7q s VAL 58 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 1a7q s VAL 58 Cb 0.00 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1a7q s VAL 58 CO 0.00 0.39 1.33 -2.84 0.00 0.00 0.00 175.10 173.98 1a7q s PRO 59 N -0.13 3.48 0.41 2.72 0.02 -1.26 -4.91 135.00 135.33 1a7q s PRO 59 Ca 0.34 2.18 0.28 0.00 0.02 0.00 0.00 61.00 63.82 1a7q s PRO 59 Cb -0.19 -2.43 1.48 0.00 0.02 0.00 0.00 34.50 33.38 1a7q s PRO 59 CO 0.20 -0.90 1.86 0.66 -0.33 0.00 0.00 177.00 178.49 1a7q h SER 60 N 1.91 0.00 0.33 2.53 4.64 -1.99 -2.63 113.55 118.34 1a7q h SER 60 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1a7q h SER 60 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1a7q h SER 60 CO 0.59 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.44 1a7q n ARG 61 N -2.51 0.07 -3.78 4.77 1.85 -1.26 -4.67 116.66 111.13 1a7q n ARG 61 Ca -0.01 0.42 -0.36 0.00 -1.00 0.00 0.00 57.85 56.90 1a7q n ARG 61 Cb 0.08 -1.66 -0.07 0.00 -1.05 0.00 0.00 32.46 29.76 1a7q n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a7q s PHE 62 N -3.16 3.52 -0.05 2.89 0.08 -0.99 -0.59 117.98 119.67 1a7q s PHE 62 Ca 0.03 0.47 -0.06 0.00 0.12 0.00 0.00 56.93 57.49 1a7q s PHE 62 Cb 0.06 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1a7q s PHE 62 CO 0.21 0.51 0.16 -1.54 -0.10 0.00 0.00 175.22 174.46 1a7q s SER 63 N -0.34 -0.14 0.22 1.36 1.04 0.86 -4.99 113.70 111.72 1a7q s SER 63 Ca 0.13 0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.91 1a7q s SER 63 Cb -0.12 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1a7q s SER 63 CO 0.02 -0.11 -0.11 -0.83 0.98 0.00 0.00 173.24 173.20 1a7q s GLY 64 N -0.14 1.73 0.23 7.32 0.00 -1.26 0.16 107.32 115.37 1a7q s GLY 64 Ca -0.02 -1.62 -0.16 0.00 0.00 0.00 0.00 44.72 42.92 1a7q s GLY 64 CO 0.00 -1.66 0.54 -1.35 0.00 0.00 0.00 173.10 170.63 1a7q s SER 65 N -3.17 -0.18 0.00 1.64 1.04 -0.19 -4.37 113.70 108.47 1a7q s SER 65 Ca 0.27 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1a7q s SER 65 Cb -0.07 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1a7q s SER 65 CO 0.16 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1a7q n GLY 66 N -0.38 1.92 3.67 7.32 0.00 -1.26 0.12 105.19 116.58 1a7q n GLY 66 Ca -0.05 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.11 1a7q n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a7q s SER 67 N 0.00 -0.07 1.85 1.61 1.04 -0.66 -4.95 113.70 112.53 1a7q s SER 67 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1a7q s SER 67 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1a7q s SER 67 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1a7q n GLY 68 N -0.52 4.03 0.48 7.32 0.00 -1.26 -2.50 105.19 112.73 1a7q n GLY 68 Ca -0.07 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1a7q n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a7q n THR 69 N 0.00 0.61 -4.66 2.61 -2.24 -1.26 -3.10 114.28 106.24 1a7q n THR 69 Ca 0.00 -0.81 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 1a7q n THR 69 Cb 0.00 0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 68.83 1a7q n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a7q s GLN 70 N -0.92 1.96 0.03 -0.78 0.74 -1.04 -0.78 119.66 118.87 1a7q s GLN 70 Ca 0.16 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.09 1a7q s GLN 70 Cb 0.09 -1.60 -0.02 0.00 1.10 0.00 0.00 33.01 32.58 1a7q s GLN 70 CO 0.13 0.04 -0.05 0.71 -0.55 0.00 0.00 175.29 175.56 1a7q s TYR 71 N 0.67 0.47 0.03 1.67 1.51 -0.68 -1.65 117.35 119.37 1a7q s TYR 71 Ca -0.14 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.39 1a7q s TYR 71 Cb -0.16 -0.30 -0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1a7q s TYR 71 CO 0.04 -0.12 0.12 -1.54 -1.11 0.00 0.00 175.55 172.94 1a7q s SER 72 N -1.37 0.12 -0.13 2.29 1.04 0.12 -1.53 113.70 114.24 1a7q s SER 72 Ca -0.11 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1a7q s SER 72 Cb -0.09 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1a7q s SER 72 CO -0.00 -0.48 -0.22 -0.22 0.98 0.00 0.00 173.24 173.30 1a7q s LEU 73 N -1.93 2.09 -0.09 2.42 2.96 0.94 -1.02 118.68 124.06 1a7q s LEU 73 Ca -0.08 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1a7q s LEU 73 Cb -0.03 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1a7q s LEU 73 CO -0.03 0.10 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.17 1a7q s LYS 74 N 0.71 2.93 -0.24 1.98 2.20 0.12 -0.47 119.74 126.98 1a7q s LYS 74 Ca -0.10 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1a7q s LYS 74 Cb -0.16 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 1a7q s LYS 74 CO 0.01 0.34 -0.14 0.42 -0.36 0.00 0.00 175.35 175.62 1a7q s ILE 75 N -0.01 2.14 -0.04 5.43 1.01 0.59 -0.10 121.20 130.22 1a7q s ILE 75 Ca -0.06 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 1a7q s ILE 75 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1a7q s ILE 75 CO 0.05 0.14 1.06 0.21 0.00 0.00 0.00 174.94 176.40 1a7q s ASN 76 N 1.16 7.22 -0.47 3.58 2.47 0.24 -0.34 114.94 128.80 1a7q s ASN 76 Ca -0.05 1.69 -0.34 0.00 0.42 0.00 0.00 52.86 54.58 1a7q s ASN 76 Cb -0.18 -2.56 0.05 0.00 -1.45 0.00 0.00 41.25 37.11 1a7q s ASN 76 CO -0.07 -0.42 0.63 -1.54 -3.72 0.00 0.00 177.10 171.98 1a7q n SER 77 N 4.56 -5.15 -4.65 -4.21 3.41 -0.43 -4.79 113.62 102.36 1a7q n SER 77 Ca 0.08 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 1a7q n SER 77 Cb 0.49 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.91 1a7q n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a7q n LEU 78 N -0.41 2.79 -4.67 1.04 4.77 0.29 -4.31 117.00 116.50 1a7q n LEU 78 Ca -0.11 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1a7q n LEU 78 Cb 0.66 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 1a7q n LEU 78 CO 0.54 -0.93 -0.35 -1.10 -1.33 0.00 0.00 177.39 174.22 1a7q s GLN 79 N -1.77 2.50 0.40 3.23 -1.52 -1.26 0.23 119.66 121.48 1a7q s GLN 79 Ca 0.57 -0.84 0.20 0.00 -1.95 0.00 0.00 55.36 53.34 1a7q s GLN 79 Cb -0.62 -2.51 1.13 0.00 -0.22 0.00 0.00 33.01 30.79 1a7q s GLN 79 CO 0.61 0.55 1.76 -1.35 -0.25 0.00 0.00 175.29 176.61 1a7q h PRO 80 N 3.60 0.35 0.00 2.91 0.11 -1.99 0.15 132.00 137.13 1a7q h PRO 80 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a7q h PRO 80 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1a7q h PRO 80 CO 0.58 0.23 0.00 0.38 -0.21 0.00 0.00 178.00 178.98 1a7q h ASP 81 N 0.36 0.00 0.02 -2.05 2.03 -2.02 -3.04 116.42 111.72 1a7q h ASP 81 Ca 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.91 1a7q h ASP 81 Cb 1.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.09 1a7q h ASP 81 CO -0.30 0.00 -0.03 0.47 -1.03 0.00 0.00 179.24 178.35 1a7q n ASP 82 N -2.58 1.46 -4.80 4.15 8.00 0.51 -4.91 116.55 118.39 1a7q n ASP 82 Ca -0.00 -1.43 -0.35 0.00 0.71 0.00 0.00 54.79 53.72 1a7q n ASP 82 Cb 0.16 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1a7q n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a7q s PHE 83 N -2.06 3.27 -5.00 1.24 0.08 -1.15 -4.89 117.98 109.46 1a7q s PHE 83 Ca 0.36 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.05 1a7q s PHE 83 Cb 0.21 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1a7q s PHE 83 CO 0.36 -0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 1a7q n GLY 84 N -0.08 0.12 3.76 4.36 0.00 -0.35 -4.87 105.19 108.14 1a7q n GLY 84 Ca 0.06 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1a7q n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a7q s SER 85 N -4.00 5.46 -0.06 1.61 0.01 0.14 -0.27 113.70 116.59 1a7q s SER 85 Ca 0.00 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1a7q s SER 85 Cb 0.00 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1a7q s SER 85 CO 0.00 0.20 -0.17 -0.31 0.41 0.00 0.00 173.24 173.37 1a7q s TYR 86 N -1.32 1.83 -0.02 2.43 1.51 -0.17 0.50 117.35 122.12 1a7q s TYR 86 Ca 0.27 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1a7q s TYR 86 Cb -0.12 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1a7q s TYR 86 CO 0.19 -0.25 -0.14 0.71 -1.11 0.00 0.00 175.55 174.95 1a7q s TYR 87 N 0.26 1.30 0.14 2.71 2.02 -0.50 -0.17 117.35 123.11 1a7q s TYR 87 Ca -0.10 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1a7q s TYR 87 Cb -0.14 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1a7q s TYR 87 CO 0.04 -0.04 0.12 0.00 -1.57 0.00 0.00 175.55 174.09 1a7q s GLN 89 N -2.91 0.24 0.28 0.00 0.74 -0.45 -0.17 119.66 117.39 1a7q s GLN 89 Ca 0.30 0.44 0.06 0.00 0.05 0.00 0.00 55.36 56.22 1a7q s GLN 89 Cb -0.11 0.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 1a7q s GLN 89 CO 0.23 -0.10 0.30 -3.38 -0.55 0.00 0.00 175.29 171.79 1a7q s HIS 90 N 0.72 3.17 -0.16 1.67 -3.43 -1.01 0.03 115.29 116.29 1a7q s HIS 90 Ca -0.05 -0.14 0.19 0.00 -0.80 0.00 0.00 55.06 54.27 1a7q s HIS 90 Cb -0.06 -1.61 0.46 0.00 -1.43 0.00 0.00 32.58 29.94 1a7q s HIS 90 CO -0.04 0.36 1.17 1.19 -2.00 0.00 0.00 174.74 175.41 1a7q n PHE 91 N -1.35 0.78 -3.18 0.38 3.01 0.48 -4.14 117.46 113.44 1a7q n PHE 91 Ca -0.06 -1.43 -0.43 0.00 1.01 0.00 0.00 57.45 56.55 1a7q n PHE 91 Cb 0.58 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.75 1a7q n PHE 91 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1a7q s TRP 92 N -2.27 3.12 0.00 1.38 -0.11 -1.26 -4.92 118.94 114.88 1a7q s TRP 92 Ca 0.35 -0.06 0.00 0.00 1.22 0.00 0.00 56.10 57.62 1a7q s TRP 92 Cb 0.37 -3.15 0.00 0.00 -1.50 0.00 0.00 33.47 29.19 1a7q s TRP 92 CO -0.08 -0.75 0.00 0.45 -4.62 0.00 0.00 176.95 171.95 1a7q n SER 93 N 6.00 0.00 -3.87 5.86 2.88 -1.26 -4.84 113.62 118.39 1a7q n SER 93 Ca -0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 1a7q n SER 93 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 1a7q n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1a7q s THR 94 N 0.00 0.10 0.95 2.46 -4.23 -1.26 -4.53 115.64 109.12 1a7q s THR 94 Ca 0.00 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1a7q s THR 94 Cb 0.00 -0.69 0.16 0.00 1.34 0.00 0.00 72.50 73.31 1a7q s THR 94 CO 0.00 -0.46 1.10 -2.16 -0.54 0.00 0.00 174.62 172.56 1a7q s PRO 95 N -2.00 0.84 0.47 3.99 0.04 -1.26 -4.94 135.00 132.14 1a7q s PRO 95 Ca -0.10 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1a7q s PRO 95 Cb -0.04 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1a7q s PRO 95 CO -0.01 -2.47 0.68 1.03 0.04 0.00 0.00 177.00 176.27 1a7q s ARG 96 N -5.00 2.87 0.18 4.56 3.00 -1.26 -4.80 118.95 118.50 1a7q s ARG 96 Ca 0.64 -0.70 -0.20 0.00 0.00 0.00 0.00 55.73 55.47 1a7q s ARG 96 Cb -0.18 -2.57 0.05 0.00 0.00 0.00 0.00 34.95 32.24 1a7q s ARG 96 CO 0.57 -0.40 0.57 -1.54 0.00 0.00 0.00 175.30 174.50 1a7q s SER 97 N -4.30 -0.39 0.16 0.23 1.04 -1.26 -5.03 113.70 104.15 1a7q s SER 97 Ca 0.52 -0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.76 1a7q s SER 97 Cb -0.10 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1a7q s SER 97 CO 0.37 -1.03 -0.12 -0.36 0.98 0.00 0.00 173.24 173.08 1a7q s PHE 98 N -3.82 2.62 0.99 5.02 0.08 -1.26 -2.39 117.98 119.21 1a7q s PHE 98 Ca 0.05 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1a7q s PHE 98 Cb -0.01 -1.31 0.19 0.00 -0.57 0.00 0.00 43.02 41.31 1a7q s PHE 98 CO -0.07 0.48 1.19 0.20 -0.10 0.00 0.00 175.22 176.91 1a7q s GLY 99 N -2.61 1.64 0.58 4.36 0.00 0.76 -4.53 107.32 107.51 1a7q s GLY 99 Ca 0.23 -0.82 0.36 0.00 0.00 0.00 0.00 44.72 44.48 1a7q s GLY 99 CO 0.14 -0.13 2.10 -1.33 0.00 0.00 0.00 173.10 173.88 1a7q h GLY 100 N -1.77 0.00 0.00 0.20 0.00 -1.90 -3.43 103.07 96.16 1a7q h GLY 100 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a7q h GLY 100 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1a7q n GLY 101 N -0.36 1.75 3.13 4.60 0.00 -1.26 -5.03 105.19 108.02 1a7q n GLY 101 Ca -0.01 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1a7q n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7q s THR 102 N -2.29 1.79 -0.29 2.61 2.01 0.76 -4.63 115.64 115.60 1a7q s THR 102 Ca 0.00 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 1a7q s THR 102 Cb 0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1a7q s THR 102 CO 0.00 0.50 0.35 -0.75 -0.69 0.00 0.00 174.62 174.03 1a7q s LYS 103 N 0.77 3.92 -0.36 4.92 2.47 0.56 -1.00 119.74 131.02 1a7q s LYS 103 Ca -0.10 -0.08 -0.13 0.00 -1.56 0.00 0.00 55.97 54.09 1a7q s LYS 103 Cb -0.16 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 32.52 1a7q s LYS 103 CO 0.01 -0.32 0.26 -1.17 0.16 0.00 0.00 175.35 174.29 1a7q s LEU 104 N 2.04 4.67 0.11 5.43 2.96 0.63 -1.31 118.68 133.21 1a7q s LEU 104 Ca 0.14 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1a7q s LEU 104 Cb -0.16 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1a7q s LEU 104 CO 0.10 -0.29 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.02 1a7q s GLU 105 N 1.73 1.69 0.00 1.98 2.02 0.09 -1.21 118.70 125.00 1a7q s GLU 105 Ca 0.06 -1.21 0.30 0.00 0.02 0.00 0.00 54.97 54.14 1a7q s GLU 105 Cb -0.18 -2.05 1.49 0.00 0.10 0.00 0.00 34.13 33.49 1a7q s GLU 105 CO 0.10 0.48 1.99 1.51 0.02 0.00 0.00 175.26 179.37