#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3g s ILE 2 N 0.00 4.36 0.08 5.18 1.01 -1.26 -4.98 121.20 125.59 1i3g s ILE 2 Ca 0.00 1.55 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 1i3g s ILE 2 Cb 0.00 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 1i3g s ILE 2 CO 0.00 -0.51 0.54 -0.69 0.00 0.00 0.00 174.94 174.28 1i3g s VAL 3 N 3.94 4.81 -0.23 2.92 1.01 -1.26 -4.75 120.40 126.84 1i3g s VAL 3 Ca 0.49 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.56 1i3g s VAL 3 Cb -0.14 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1i3g s VAL 3 CO 0.19 0.49 -0.13 -0.76 0.00 0.00 0.00 175.10 174.89 1i3g s LEU 4 N -1.30 2.91 -0.28 3.92 1.43 -1.26 -1.27 118.68 122.82 1i3g s LEU 4 Ca 0.30 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 1i3g s LEU 4 Cb -0.18 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1i3g s LEU 4 CO 0.18 -0.11 0.07 -0.89 0.23 0.00 0.00 176.35 175.84 1i3g s THR 5 N 1.22 3.97 0.08 5.49 2.01 -0.48 -4.15 115.64 123.77 1i3g s THR 5 Ca -0.02 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 1i3g s THR 5 Cb -0.17 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 1i3g s THR 5 CO -0.08 0.13 0.64 -1.10 -0.69 0.00 0.00 174.62 173.53 1i3g s GLN 6 N 1.51 4.34 0.00 4.92 -0.21 -1.26 -2.18 119.66 126.78 1i3g s GLN 6 Ca 0.03 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1i3g s GLN 6 Cb -0.17 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1i3g s GLN 6 CO 0.02 0.55 0.99 -1.13 -2.12 0.00 0.00 175.29 173.60 1i3g n SER 7 N 1.95 0.00 -4.56 5.90 3.41 -0.92 -4.78 113.62 114.62 1i3g n SER 7 Ca -0.08 0.99 -0.25 0.00 -0.26 0.00 0.00 58.87 59.27 1i3g n SER 7 Cb 0.50 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1i3g n SER 7 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1i3g s HIS 8 N -2.95 2.44 -0.12 7.33 3.76 -1.26 -5.04 115.29 119.45 1i3g s HIS 8 Ca 0.00 -0.43 -0.10 0.00 -0.15 0.00 0.00 55.06 54.38 1i3g s HIS 8 Cb 0.00 -1.31 -0.26 0.00 1.11 0.00 0.00 32.58 32.12 1i3g s HIS 8 CO 0.00 0.59 0.41 -0.22 -0.85 0.00 0.00 174.74 174.67 1i3g h LYS 9 N 2.01 0.25 -6.25 1.40 1.63 -1.86 -3.39 116.57 110.36 1i3g h LYS 9 Ca -0.42 -0.43 -0.58 0.00 -0.85 0.00 0.00 60.65 58.37 1i3g h LYS 9 Cb 1.25 0.16 -0.20 0.00 -0.60 0.00 0.00 32.23 32.84 1i3g h LYS 9 CO 0.66 1.21 -0.82 -0.06 -3.45 0.00 0.00 179.45 176.99 1i3g s PHE 10 N -2.53 1.93 -0.12 1.91 0.08 -1.26 0.45 117.98 118.45 1i3g s PHE 10 Ca -0.22 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.35 1i3g s PHE 10 Cb 0.06 -1.02 0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1i3g s PHE 10 CO 0.76 0.30 0.27 1.41 -0.10 0.00 0.00 175.22 177.85 1i3g s MET 11 N -2.29 0.21 0.14 0.44 1.75 0.88 -4.86 119.30 115.56 1i3g s MET 11 Ca 0.12 0.61 0.02 0.00 -1.25 0.00 0.00 55.69 55.19 1i3g s MET 11 Cb -0.08 -0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.46 1i3g s MET 11 CO 0.06 -0.19 0.28 -1.12 -0.65 0.00 0.00 175.02 173.39 1i3g s SER 12 N 1.55 6.35 0.00 1.11 0.01 -1.26 -1.07 113.70 120.39 1i3g s SER 12 Ca -0.07 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1i3g s SER 12 Cb -0.11 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1i3g s SER 12 CO -0.09 0.07 0.00 1.07 0.41 0.00 0.00 173.24 174.70 1i3g n THR 13 N -0.41 0.00 -4.24 1.44 5.66 -0.57 -4.94 114.28 111.21 1i3g n THR 13 Ca -0.07 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.77 1i3g n THR 13 Cb 0.53 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.21 1i3g n THR 13 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1i3g s SER 14 N 0.00 1.92 0.22 1.09 0.15 -1.26 -3.61 113.70 112.21 1i3g s SER 14 Ca 0.00 -0.87 -0.25 0.00 0.70 0.00 0.00 55.95 55.53 1i3g s SER 14 Cb 0.00 -0.05 -0.16 0.00 -1.71 0.00 0.00 66.02 64.10 1i3g s SER 14 CO 0.00 -0.20 0.41 0.52 1.20 0.00 0.00 173.24 175.17 1i3g n VAL 15 N 0.31 1.63 0.00 4.45 0.31 -1.26 -2.46 118.33 121.32 1i3g n VAL 15 Ca -0.14 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1i3g n VAL 15 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1i3g n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i3g n GLY 16 N 1.91 3.00 3.79 2.92 0.00 0.08 -4.94 105.19 111.95 1i3g n GLY 16 Ca 0.16 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1i3g n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3g s ASP 17 N 0.78 2.51 -0.11 1.61 -0.00 -1.03 -4.43 116.67 115.99 1i3g s ASP 17 Ca 0.00 0.53 0.03 0.00 -0.00 0.00 0.00 52.55 53.11 1i3g s ASP 17 Cb 0.00 -0.75 -0.00 0.00 -0.00 0.00 0.00 42.92 42.17 1i3g s ASP 17 CO 0.00 -3.13 -0.21 -0.60 -0.00 0.00 0.00 175.17 171.23 1i3g s ARG 18 N -5.61 3.14 0.06 8.23 3.52 -1.21 -0.37 118.95 126.70 1i3g s ARG 18 Ca 0.71 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 55.56 1i3g s ARG 18 Cb -0.08 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1i3g s ARG 18 CO 0.54 0.18 -0.21 0.08 -0.81 0.00 0.00 175.30 175.08 1i3g s VAL 19 N 0.37 1.70 -0.08 7.11 1.01 0.56 -4.98 120.40 126.10 1i3g s VAL 19 Ca -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1i3g s VAL 19 Cb -0.17 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1i3g s VAL 19 CO 0.08 0.13 -0.06 -0.44 0.00 0.00 0.00 175.10 174.80 1i3g s SER 20 N -1.41 1.65 -0.10 3.32 0.01 -1.26 -0.65 113.70 115.26 1i3g s SER 20 Ca 0.07 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 1i3g s SER 20 Cb -0.09 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 1i3g s SER 20 CO 0.03 -0.09 -0.07 -0.63 0.41 0.00 0.00 173.24 172.89 1i3g s ILE 21 N 1.35 3.68 0.12 1.44 1.01 0.51 -4.94 121.20 124.37 1i3g s ILE 21 Ca -0.03 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1i3g s ILE 21 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1i3g s ILE 21 CO -0.03 0.56 -0.06 0.42 0.00 0.00 0.00 174.94 175.83 1i3g s THR 22 N -0.36 3.53 -0.06 2.92 -4.23 -1.26 -0.40 115.64 115.77 1i3g s THR 22 Ca 0.05 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1i3g s THR 22 Cb -0.12 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.06 1i3g s THR 22 CO 0.02 0.05 0.01 0.00 -0.54 0.00 0.00 174.62 174.16 1i3g s LYS 24 N 1.90 3.30 0.12 0.00 2.20 -0.93 -0.64 119.74 125.69 1i3g s LYS 24 Ca 0.04 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 54.84 1i3g s LYS 24 Cb -0.12 -2.62 -0.06 0.00 -1.51 0.00 0.00 37.83 33.52 1i3g s LYS 24 CO -0.05 0.13 0.42 0.00 -0.36 0.00 0.00 175.35 175.49 1i3g s ALA 25 N 0.56 3.72 -2.00 3.13 0.00 -0.05 -1.39 121.76 125.73 1i3g s ALA 25 Ca -0.09 -0.41 0.31 0.00 0.00 0.00 0.00 51.96 51.77 1i3g s ALA 25 Cb -0.16 -2.26 1.79 0.00 0.00 0.00 0.00 23.12 22.50 1i3g s ALA 25 CO 0.04 0.59 2.17 -1.13 0.00 0.00 0.00 175.76 177.42 1i3g n SER 26 N 0.50 0.14 -3.77 0.00 3.41 -0.40 -4.83 113.62 108.67 1i3g n SER 26 Ca -0.05 -0.97 -0.10 0.00 -0.26 0.00 0.00 58.87 57.49 1i3g n SER 26 Cb 0.52 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1i3g n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1i3g s GLN 29 N -2.05 1.10 0.04 4.33 -0.21 -1.26 -4.93 119.66 116.68 1i3g s GLN 29 Ca 0.45 -0.89 -0.31 0.00 0.02 0.00 0.00 55.36 54.63 1i3g s GLN 29 Cb 0.22 0.43 -0.06 0.00 1.00 0.00 0.00 33.01 34.60 1i3g s GLN 29 CO 0.38 -0.42 1.39 0.34 -2.12 0.00 0.00 175.29 174.86 1i3g s ASP 30 N -2.87 6.85 -0.12 5.90 2.15 -1.26 -4.67 116.67 122.66 1i3g s ASP 30 Ca 0.08 2.18 0.16 0.00 0.43 0.00 0.00 52.55 55.40 1i3g s ASP 30 Cb 0.02 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.35 1i3g s ASP 30 CO -0.07 -0.68 1.14 1.33 -0.17 0.00 0.00 175.17 176.72 1i3g n VAL 31 N 4.38 1.68 0.00 1.11 0.24 -0.18 -5.03 118.33 120.53 1i3g n VAL 31 Ca 0.12 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 1i3g n VAL 31 Cb 0.43 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 1i3g n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i3g n GLY 32 N -1.20 3.80 0.32 7.63 0.00 -1.25 -1.27 105.19 113.22 1i3g n GLY 32 Ca 0.14 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.44 1i3g n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i3g n THR 39 N 0.00 1.32 -1.21 2.61 -2.24 -1.26 0.37 114.28 113.86 1i3g n THR 39 Ca 0.00 -1.71 -0.35 0.00 -2.27 0.00 0.00 64.05 59.72 1i3g n THR 39 Cb 0.00 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1i3g n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i3g n ALA 40 N -0.92 7.13 -2.84 6.98 0.00 -0.39 -1.89 120.51 128.58 1i3g n ALA 40 Ca 0.12 -3.21 -0.25 0.00 0.00 0.00 0.00 53.44 50.10 1i3g n ALA 40 Cb 0.69 -3.25 -0.16 0.00 0.00 0.00 0.00 19.45 16.73 1i3g n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i3g s VAL 41 N 2.23 1.30 0.10 0.00 1.01 -1.26 -1.34 120.40 122.44 1i3g s VAL 41 Ca 0.66 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1i3g s VAL 41 Cb 0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1i3g s VAL 41 CO -0.05 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.21 1i3g s ALA 42 N -0.03 1.84 -0.04 5.51 0.00 -0.23 -1.14 121.76 127.67 1i3g s ALA 42 Ca -0.02 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.75 1i3g s ALA 42 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1i3g s ALA 42 CO 0.01 0.38 -0.21 -1.58 0.00 0.00 0.00 175.76 174.36 1i3g s TRP 43 N -1.13 2.50 0.17 0.00 0.52 -0.25 -0.12 118.94 120.62 1i3g s TRP 43 Ca 0.07 -0.41 0.09 0.00 0.02 0.00 0.00 56.10 55.87 1i3g s TRP 43 Cb -0.10 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1i3g s TRP 43 CO 0.04 -0.01 -0.20 0.71 0.02 0.00 0.00 176.95 177.52 1i3g s TYR 44 N -0.52 1.93 -0.09 -1.98 2.02 0.48 -0.97 117.35 118.21 1i3g s TYR 44 Ca 0.07 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1i3g s TYR 44 Cb -0.11 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1i3g s TYR 44 CO 0.01 0.37 -0.22 -1.14 -1.57 0.00 0.00 175.55 173.00 1i3g s GLN 45 N -2.76 2.97 -0.07 -0.62 0.74 0.38 -1.91 119.66 118.39 1i3g s GLN 45 Ca 0.17 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1i3g s GLN 45 Cb -0.06 -2.33 0.03 0.00 1.10 0.00 0.00 33.01 31.75 1i3g s GLN 45 CO 0.07 0.25 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.92 1i3g s GLN 46 N 0.17 0.66 0.25 1.67 0.74 -0.25 -0.63 119.66 122.28 1i3g s GLN 46 Ca -0.13 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1i3g s GLN 46 Cb -0.16 -0.99 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 1i3g s GLN 46 CO 0.07 -0.29 0.45 0.15 -0.55 0.00 0.00 175.29 175.12 1i3g s LYS 47 N 1.90 3.52 0.31 1.67 1.02 -1.26 -1.41 119.74 125.49 1i3g s LYS 47 Ca 0.04 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1i3g s LYS 47 Cb -0.12 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.29 1i3g s LYS 47 CO -0.05 0.32 1.41 -2.30 -0.92 0.00 0.00 175.35 173.80 1i3g n PRO 48 N -1.02 2.29 -1.38 -1.68 -0.02 -1.26 -2.53 135.00 129.39 1i3g n PRO 48 Ca -0.05 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1i3g n PRO 48 Cb 0.55 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1i3g n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3g n GLY 49 N 1.36 1.39 3.28 -1.23 0.00 -1.26 -4.99 105.19 103.74 1i3g n GLY 49 Ca 0.07 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1i3g n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i3g s GLN 50 N -3.11 1.26 0.30 1.61 -0.21 -1.05 -5.16 119.66 113.30 1i3g s GLN 50 Ca 0.00 -1.65 -0.05 0.00 0.02 0.00 0.00 55.36 53.68 1i3g s GLN 50 Cb 0.00 -0.26 -0.05 0.00 1.00 0.00 0.00 33.01 33.70 1i3g s GLN 50 CO 0.00 -0.21 0.57 -1.54 -2.12 0.00 0.00 175.29 171.99 1i3g s SER 51 N -3.24 6.44 0.59 5.90 1.04 -1.26 -4.68 113.70 118.49 1i3g s SER 51 Ca 0.31 0.74 -0.20 0.00 0.48 0.00 0.00 55.95 57.28 1i3g s SER 51 Cb 0.07 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1i3g s SER 51 CO 0.09 -0.22 1.29 -2.65 0.98 0.00 0.00 173.24 172.73 1i3g n PRO 52 N -1.00 1.37 -5.06 4.02 -0.02 -1.26 -4.69 135.00 128.35 1i3g n PRO 52 Ca -0.01 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 1i3g n PRO 52 Cb 0.54 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 1i3g n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i3g s LYS 53 N -3.06 2.85 0.16 -0.52 2.20 0.20 -4.93 119.74 116.63 1i3g s LYS 53 Ca 0.77 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 1i3g s LYS 53 Cb -0.40 -2.18 -0.08 0.00 -1.51 0.00 0.00 37.83 33.65 1i3g s LYS 53 CO 0.45 0.14 1.28 -1.17 -0.36 0.00 0.00 175.35 175.69 1i3g s LEU 54 N 0.44 4.41 -0.07 5.43 2.96 -1.26 -0.47 118.68 130.13 1i3g s LEU 54 Ca -0.17 2.30 -0.08 0.00 -0.22 0.00 0.00 54.13 55.96 1i3g s LEU 54 Cb -0.17 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1i3g s LEU 54 CO 0.07 -0.51 -0.17 0.18 -1.32 0.00 0.00 176.35 174.61 1i3g n LEU 55 N 3.01 1.29 -4.08 -0.68 4.32 -0.14 -4.79 117.00 115.93 1i3g n LEU 55 Ca 0.07 0.20 -0.18 0.00 -0.02 0.00 0.00 56.01 56.08 1i3g n LEU 55 Cb 0.44 -0.48 -0.14 0.00 -1.62 0.00 0.00 43.42 41.62 1i3g n LEU 55 CO 0.57 -0.22 -0.44 -0.63 -1.22 0.00 0.00 177.39 175.45 1i3g s ILE 56 N -2.36 0.87 0.07 -0.08 -1.09 -1.19 -1.57 121.20 115.86 1i3g s ILE 56 Ca -0.16 -0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1i3g s ILE 56 Cb 0.04 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 1i3g s ILE 56 CO 0.22 0.02 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.20 1i3g s TYR 57 N -0.68 0.66 -1.46 3.97 -0.85 -0.33 -1.09 117.35 117.57 1i3g s TYR 57 Ca 0.01 -1.04 -0.10 0.00 -0.52 0.00 0.00 57.07 55.41 1i3g s TYR 57 Cb -0.06 -0.44 0.04 0.00 0.38 0.00 0.00 41.96 41.88 1i3g s TYR 57 CO 0.01 -0.33 0.95 0.91 -1.52 0.00 0.00 175.55 175.56 1i3g n TRP 58 N 0.04 -2.41 0.00 -3.49 5.03 -1.06 -0.95 117.44 114.61 1i3g n TRP 58 Ca -0.13 0.84 0.00 0.00 3.03 0.00 0.00 57.50 61.24 1i3g n TRP 58 Cb 0.61 -4.36 0.00 0.00 -1.03 0.00 0.00 31.31 26.53 1i3g n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1i3g n ALA 67 N -4.49 0.00 -0.84 6.99 0.00 -0.29 -4.11 120.51 117.76 1i3g n ALA 67 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1i3g n ALA 67 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1i3g n ALA 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i3g n SER 68 N 1.16 0.69 -4.70 0.00 3.41 -1.21 -3.13 113.62 109.85 1i3g n SER 68 Ca 0.00 -1.52 -0.39 0.00 -0.26 0.00 0.00 58.87 56.70 1i3g n SER 68 Cb 0.00 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1i3g n SER 68 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1i3g s THR 69 N -0.45 5.11 0.17 6.66 2.01 -0.12 -4.56 115.64 124.46 1i3g s THR 69 Ca 0.02 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 1i3g s THR 69 Cb 0.02 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1i3g s THR 69 CO 0.00 0.24 0.90 -0.13 -0.69 0.00 0.00 174.62 174.94 1i3g s ARG 70 N 1.10 4.72 0.59 4.92 0.52 -1.26 -1.18 118.95 128.35 1i3g s ARG 70 Ca 0.28 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.75 1i3g s ARG 70 Cb -0.16 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 1i3g s ARG 70 CO 0.12 0.42 1.00 -1.58 0.02 0.00 0.00 175.30 175.27 1i3g s HIS 71 N -0.72 3.59 -0.47 -0.53 5.65 -0.61 -4.93 115.29 117.28 1i3g s HIS 71 Ca 0.41 1.27 -0.29 0.00 0.25 0.00 0.00 55.06 56.71 1i3g s HIS 71 Cb -0.24 -2.69 -0.09 0.00 -1.18 0.00 0.00 32.58 28.37 1i3g s HIS 71 CO 0.29 -0.60 2.37 2.41 -0.65 0.00 0.00 174.74 178.56 1i3g n THR 72 N -2.50 0.07 0.00 0.89 -1.04 -1.26 -2.03 114.28 108.41 1i3g n THR 72 Ca 0.06 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1i3g n THR 72 Cb 0.54 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 1i3g n THR 72 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i3g n GLY 73 N 6.14 1.67 3.73 3.41 0.00 -1.26 -5.11 105.19 113.78 1i3g n GLY 73 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1i3g n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3g s VAL 74 N -1.64 4.20 0.47 1.61 1.01 -0.86 -5.03 120.40 120.16 1i3g s VAL 74 Ca 0.00 1.82 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1i3g s VAL 74 Cb 0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1i3g s VAL 74 CO 0.00 0.27 1.14 -2.16 0.00 0.00 0.00 175.10 174.35 1i3g s PRO 75 N -0.01 3.71 0.23 2.72 0.04 -1.26 -4.86 135.00 135.57 1i3g s PRO 75 Ca 0.49 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.32 1i3g s PRO 75 Cb -0.26 -2.32 0.49 0.00 0.04 0.00 0.00 34.50 32.45 1i3g s PRO 75 CO 0.32 -0.57 1.14 -0.40 0.04 0.00 0.00 177.00 177.53 1i3g n ASP 76 N -0.64 0.24 0.25 6.66 5.75 -1.26 -1.03 116.55 126.51 1i3g n ASP 76 Ca 0.08 0.48 0.08 0.00 -0.01 0.00 0.00 54.79 55.42 1i3g n ASP 76 Cb 0.49 -0.44 0.63 0.00 -1.03 0.00 0.00 41.12 40.77 1i3g n ASP 76 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1i3g h ARG 77 N 0.00 0.00 -5.71 0.11 2.43 -1.93 -3.41 114.38 105.87 1i3g h ARG 77 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 1i3g h ARG 77 Cb 0.55 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 1i3g h ARG 77 CO 0.00 0.07 -0.26 -0.06 -1.51 0.00 0.00 179.97 178.21 1i3g s PHE 78 N -4.83 3.56 -0.06 2.20 0.08 -0.20 -2.19 117.98 116.54 1i3g s PHE 78 Ca -0.05 0.77 -0.02 0.00 0.12 0.00 0.00 56.93 57.75 1i3g s PHE 78 Cb 0.16 -2.34 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1i3g s PHE 78 CO 0.66 0.39 0.12 0.99 -0.10 0.00 0.00 175.22 177.28 1i3g s THR 79 N -0.08 -0.12 0.24 0.64 2.01 -0.03 -4.97 115.64 113.32 1i3g s THR 79 Ca 0.20 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.53 1i3g s THR 79 Cb -0.14 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1i3g s THR 79 CO 0.08 0.11 0.27 -0.83 -0.69 0.00 0.00 174.62 173.56 1i3g s GLY 80 N 1.60 1.36 0.19 4.40 0.00 -1.26 -1.12 107.32 112.49 1i3g s GLY 80 Ca -0.04 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.14 1i3g s GLY 80 CO -0.05 -1.33 0.82 -1.35 0.00 0.00 0.00 173.10 171.19 1i3g s SER 81 N -3.82 -0.27 0.00 1.64 1.04 -0.69 -4.45 113.70 107.16 1i3g s SER 81 Ca 0.33 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1i3g s SER 81 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1i3g s SER 81 CO 0.27 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1i3g n GLY 82 N -0.44 1.61 3.56 7.32 0.00 -1.26 -1.42 105.19 114.56 1i3g n GLY 82 Ca -0.07 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.76 1i3g n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i3g s SER 83 N 0.00 -0.27 0.00 1.61 1.04 -0.99 -4.89 113.70 110.21 1i3g s SER 83 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1i3g s SER 83 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1i3g s SER 83 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1i3g n GLY 84 N 0.13 2.35 0.00 7.32 0.00 0.16 -3.40 105.19 111.75 1i3g n GLY 84 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i3g n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1i3g n THR 87 N 0.00 0.00 -4.05 2.61 5.66 -1.26 -1.02 114.28 116.22 1i3g n THR 87 Ca 0.00 -0.09 -0.31 0.00 -3.05 0.00 0.00 64.05 60.60 1i3g n THR 87 Cb 0.00 0.83 -0.16 0.00 -1.55 0.00 0.00 70.33 69.45 1i3g n THR 87 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1i3g s ASP 88 N -0.25 3.14 0.13 1.09 1.11 -1.22 -0.87 116.67 119.79 1i3g s ASP 88 Ca 0.00 -0.71 0.09 0.00 0.18 0.00 0.00 52.55 52.11 1i3g s ASP 88 Cb 0.00 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 42.62 1i3g s ASP 88 CO 0.00 -0.07 -0.22 -0.36 1.18 0.00 0.00 175.17 175.71 1i3g s PHE 89 N 1.37 1.93 -0.05 4.23 0.08 0.18 -2.33 117.98 123.38 1i3g s PHE 89 Ca 0.02 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1i3g s PHE 89 Cb -0.14 -1.03 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1i3g s PHE 89 CO -0.11 0.28 0.13 0.99 -0.10 0.00 0.00 175.22 176.41 1i3g s THR 90 N -1.35 -0.01 -0.17 0.64 2.01 -0.51 -0.34 115.64 115.92 1i3g s THR 90 Ca 0.11 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1i3g s THR 90 Cb -0.09 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1i3g s THR 90 CO 0.05 0.01 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.73 1i3g s LEU 91 N 0.22 3.15 -0.10 4.42 0.20 0.46 -1.70 118.68 125.34 1i3g s LEU 91 Ca -0.01 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.64 1i3g s LEU 91 Cb -0.02 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 1i3g s LEU 91 CO -0.01 0.13 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.14 1i3g s THR 92 N 0.57 1.49 -0.35 3.68 2.01 -0.27 -0.36 115.64 122.41 1i3g s THR 92 Ca -0.03 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1i3g s THR 92 Cb -0.14 -1.35 0.08 0.00 0.01 0.00 0.00 72.50 71.09 1i3g s THR 92 CO 0.03 0.44 0.10 -0.63 -0.69 0.00 0.00 174.62 173.86 1i3g s ILE 93 N 0.85 3.11 0.19 1.82 1.01 0.17 -0.85 121.20 127.51 1i3g s ILE 93 Ca -0.09 -1.73 -0.08 0.00 0.00 0.00 0.00 60.65 58.74 1i3g s ILE 93 Cb -0.15 -2.97 0.08 0.00 0.01 0.00 0.00 42.46 39.42 1i3g s ILE 93 CO 0.01 -0.40 1.66 0.77 0.00 0.00 0.00 174.94 176.98 1i3g h SER 94 N 8.00 1.03 -2.44 3.58 4.64 -1.70 0.16 113.55 126.83 1i3g h SER 94 Ca -0.16 -0.28 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 1i3g h SER 94 Cb 1.05 -0.28 -0.39 0.00 -0.31 0.00 0.00 62.40 62.48 1i3g h SER 94 CO 0.61 1.07 -0.91 -3.20 -0.87 0.00 0.00 176.83 173.52 1i3g n ASN 95 N -4.19 0.33 -4.52 4.97 4.05 -1.20 -3.34 115.26 111.37 1i3g n ASN 95 Ca 0.03 -2.59 -0.52 0.00 0.45 0.00 0.00 54.58 51.95 1i3g n ASN 95 Cb 0.33 -0.60 -0.07 0.00 1.23 0.00 0.00 39.78 40.67 1i3g n ASN 95 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1i3g n VAL 96 N 2.46 0.25 -2.84 3.44 0.31 0.50 -4.63 118.33 117.82 1i3g n VAL 96 Ca 0.27 -0.19 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1i3g n VAL 96 Cb 0.46 -1.56 0.02 0.00 -0.91 0.00 0.00 33.84 31.86 1i3g n VAL 96 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1i3g s GLN 97 N 5.44 2.73 0.25 5.55 -1.52 -1.26 -0.74 119.66 130.11 1i3g s GLN 97 Ca 1.06 -0.86 -0.06 0.00 -1.95 0.00 0.00 55.36 53.55 1i3g s GLN 97 Cb -0.90 -2.59 0.27 0.00 -0.22 0.00 0.00 33.01 29.58 1i3g s GLN 97 CO 0.53 -0.49 1.93 0.77 -0.25 0.00 0.00 175.29 177.78 1i3g h SER 98 N 0.31 1.14 0.06 5.90 0.02 -1.98 -2.18 113.55 116.82 1i3g h SER 98 Ca -0.43 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1i3g h SER 98 Cb 1.28 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1i3g h SER 98 CO 0.51 0.84 0.00 -1.84 -1.14 0.00 0.00 176.83 175.20 1i3g n GLU 99 N -4.38 0.14 0.00 3.45 0.28 -1.26 -1.87 120.64 117.00 1i3g n GLU 99 Ca 0.12 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.36 1i3g n GLU 99 Cb 0.02 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.62 1i3g n GLU 99 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i3g n ASP 100 N -1.16 2.20 -4.60 -1.84 10.43 -0.82 -4.84 116.55 115.92 1i3g n ASP 100 Ca 0.04 -1.66 -0.43 0.00 2.57 0.00 0.00 54.79 55.31 1i3g n ASP 100 Cb 0.04 0.10 -0.02 0.00 1.84 0.00 0.00 41.12 43.07 1i3g n ASP 100 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1i3g s LEU 101 N -2.14 3.62 0.00 0.64 1.43 -0.78 -4.89 118.68 116.55 1i3g s LEU 101 Ca 0.29 0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 1i3g s LEU 101 Cb 0.20 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.94 1i3g s LEU 101 CO 0.38 -1.35 0.87 0.00 0.23 0.00 0.00 176.35 176.48 1i3g n ALA 102 N 8.39 -2.40 -2.35 4.21 0.00 -1.22 -4.95 120.51 122.19 1i3g n ALA 102 Ca 0.15 -0.62 -0.32 0.00 0.00 0.00 0.00 53.44 52.65 1i3g n ALA 102 Cb 0.48 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 1i3g n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i3g s ASP 103 N -2.95 6.68 -0.06 0.00 1.11 -0.50 -2.28 116.67 118.67 1i3g s ASP 103 Ca 0.20 1.01 0.01 0.00 0.18 0.00 0.00 52.55 53.95 1i3g s ASP 103 Cb -0.01 -2.26 0.02 0.00 1.07 0.00 0.00 42.92 41.74 1i3g s ASP 103 CO 0.01 -0.08 -0.05 -0.31 1.18 0.00 0.00 175.17 175.91 1i3g s TYR 104 N -1.81 0.94 0.08 4.23 2.02 -0.69 -1.09 117.35 121.03 1i3g s TYR 104 Ca 0.48 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.95 1i3g s TYR 104 Cb -0.11 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1i3g s TYR 104 CO 0.20 -0.27 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.60 1i3g s PHE 105 N 1.15 2.19 0.09 2.71 0.08 -0.80 -1.74 117.98 121.66 1i3g s PHE 105 Ca -0.07 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.65 1i3g s PHE 105 Cb -0.14 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1i3g s PHE 105 CO -0.01 0.20 -0.11 0.00 -0.10 0.00 0.00 175.22 175.20 1i3g s GLN 107 N -2.05 0.31 -0.13 0.00 0.74 0.83 -0.59 119.66 118.79 1i3g s GLN 107 Ca 0.20 -0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.16 1i3g s GLN 107 Cb -0.11 -0.11 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 1i3g s GLN 107 CO 0.12 0.02 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.72 1i3g s GLN 108 N -0.90 3.38 -0.14 1.67 -0.44 -0.35 -1.07 119.66 121.81 1i3g s GLN 108 Ca -0.07 -0.47 0.18 0.00 -2.50 0.00 0.00 55.36 52.49 1i3g s GLN 108 Cb -0.06 -2.87 0.44 0.00 -1.64 0.00 0.00 33.01 28.88 1i3g s GLN 108 CO -0.00 0.44 1.19 2.48 0.50 0.00 0.00 175.29 179.89 1i3g n TYR 109 N 2.94 0.44 0.06 1.67 4.11 -0.45 -3.51 117.16 122.42 1i3g n TYR 109 Ca -0.18 -1.26 -0.20 0.00 -0.00 0.00 0.00 57.90 56.26 1i3g n TYR 109 Cb 0.53 -0.22 -0.15 0.00 -0.00 0.00 0.00 39.34 39.50 1i3g n TYR 109 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1i3g h SER 110 N 1.31 0.50 -5.06 9.48 4.64 -1.89 -3.48 113.55 119.05 1i3g h SER 110 Ca -0.06 -0.77 -0.09 0.00 -0.47 0.00 0.00 61.79 60.39 1i3g h SER 110 Cb 1.44 -0.16 -0.17 0.00 -0.31 0.00 0.00 62.40 63.20 1i3g h SER 110 CO 0.14 1.66 -0.25 -0.94 -0.87 0.00 0.00 176.83 176.57 1i3g s SER 111 N -7.11 -0.12 0.41 4.97 1.04 -1.26 -5.15 113.70 106.47 1i3g s SER 111 Ca -0.14 -0.21 -0.22 0.00 0.48 0.00 0.00 55.95 55.86 1i3g s SER 111 Cb 0.06 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 1i3g s SER 111 CO 0.84 -0.62 0.96 -0.31 0.98 0.00 0.00 173.24 175.09 1i3g s TYR 135 N -2.62 3.37 0.48 5.02 4.12 -1.26 -3.79 117.35 122.67 1i3g s TYR 135 Ca -0.04 1.65 -0.19 0.00 0.02 0.00 0.00 57.07 58.51 1i3g s TYR 135 Cb -0.01 -2.89 -0.09 0.00 -1.52 0.00 0.00 41.96 37.45 1i3g s TYR 135 CO -0.04 -0.11 0.98 -1.25 0.02 0.00 0.00 175.55 175.15 1i3g s PRO 136 N -2.90 4.04 0.33 -1.71 0.04 -1.26 -4.86 135.00 128.68 1i3g s PRO 136 Ca 0.60 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1i3g s PRO 136 Cb -0.12 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1i3g s PRO 136 CO 0.16 -0.19 1.31 -0.51 0.04 0.00 0.00 177.00 177.81 1i3g s LEU 137 N -3.66 4.43 0.10 -3.56 1.43 -1.25 -4.78 118.68 111.39 1i3g s LEU 137 Ca 0.61 2.68 0.04 0.00 -1.03 0.00 0.00 54.13 56.43 1i3g s LEU 137 Cb -0.10 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1i3g s LEU 137 CO 0.23 -0.53 -0.10 0.42 0.23 0.00 0.00 176.35 176.59 1i3g s THR 138 N -1.12 0.97 0.32 5.49 -4.23 -1.23 -5.01 115.64 110.84 1i3g s THR 138 Ca 0.49 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 1i3g s THR 138 Cb -0.40 -1.36 -0.06 0.00 1.34 0.00 0.00 72.50 72.03 1i3g s THR 138 CO 0.53 -0.54 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.59 1i3g s PHE 139 N -2.38 2.33 0.59 3.99 0.40 -1.26 -1.22 117.98 120.44 1i3g s PHE 139 Ca 0.05 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1i3g s PHE 139 Cb -0.03 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.26 1i3g s PHE 139 CO 0.00 0.59 0.89 0.20 0.70 0.00 0.00 175.22 177.60 1i3g s GLY 140 N -3.57 1.63 0.53 4.36 0.00 0.25 -4.43 107.32 106.08 1i3g s GLY 140 Ca 0.31 -0.81 0.31 0.00 0.00 0.00 0.00 44.72 44.54 1i3g s GLY 140 CO 0.16 -0.52 1.99 0.00 0.00 0.00 0.00 173.10 174.73 1i3g h ALA 141 N -0.18 1.05 0.00 3.20 0.00 -1.91 -3.43 119.26 117.98 1i3g h ALA 141 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1i3g h ALA 141 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1i3g h ALA 141 CO 0.60 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1i3g n GLY 142 N -0.13 2.58 2.72 0.00 0.00 -1.26 -5.05 105.19 104.05 1i3g n GLY 142 Ca -0.00 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 1i3g n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3g s THR 143 N -2.55 0.22 -0.16 2.61 2.01 -0.71 -4.44 115.64 112.64 1i3g s THR 143 Ca 0.00 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1i3g s THR 143 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1i3g s THR 143 CO 0.00 0.11 0.61 -0.75 -0.69 0.00 0.00 174.62 173.90 1i3g s LYS 144 N 2.02 4.28 -0.44 4.92 2.20 0.17 -1.71 119.74 131.19 1i3g s LYS 144 Ca 0.04 0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 56.11 1i3g s LYS 144 Cb -0.13 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1i3g s LYS 144 CO -0.06 -0.10 0.44 -1.17 -0.36 0.00 0.00 175.35 174.11 1i3g s LEU 145 N 1.43 5.04 0.30 5.43 2.96 -0.97 -0.09 118.68 132.80 1i3g s LEU 145 Ca 0.30 -0.85 0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1i3g s LEU 145 Cb -0.16 -2.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 1i3g s LEU 145 CO 0.12 -0.63 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.75 1i3g s GLU 146 N 2.08 1.72 0.00 1.98 2.02 -0.23 -3.44 118.70 122.83 1i3g s GLU 146 Ca 0.10 -1.83 0.27 0.00 0.02 0.00 0.00 54.97 53.53 1i3g s GLU 146 Cb -0.19 -1.71 1.60 0.00 0.10 0.00 0.00 34.13 33.93 1i3g s GLU 146 CO 0.12 0.25 1.95 1.28 0.02 0.00 0.00 175.26 178.87