#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dg3 s LYS 2 N 0.00 3.37 -0.08 0.03 2.20 -1.26 -0.50 119.74 123.49 3dg3 s LYS 2 Ca 0.00 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 3dg3 s LYS 2 Cb 0.00 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 3dg3 s LYS 2 CO 0.00 0.69 1.24 0.42 -0.36 0.00 0.00 175.35 177.35 3dg3 s ILE 3 N -0.81 4.20 -0.06 5.43 1.01 0.33 -0.88 121.20 130.42 3dg3 s ILE 3 Ca 0.13 1.51 0.14 0.00 0.00 0.00 0.00 60.65 62.44 3dg3 s ILE 3 Cb -0.12 -3.97 -0.22 0.00 0.01 0.00 0.00 42.46 38.16 3dg3 s ILE 3 CO 0.03 -0.04 0.33 1.33 0.00 0.00 0.00 174.94 176.59 3dg3 n VAL 4 N 4.84 0.00 -3.55 2.92 0.24 0.50 -0.98 118.33 122.29 3dg3 n VAL 4 Ca 0.12 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 3dg3 n VAL 4 Cb 0.46 0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 3dg3 n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dg3 s ALA 5 N -2.94 -1.88 -0.06 2.33 0.00 -1.16 -4.93 121.76 113.12 3dg3 s ALA 5 Ca -0.05 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 3dg3 s ALA 5 Cb 0.09 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3dg3 s ALA 5 CO 0.59 -0.40 0.02 0.42 0.00 0.00 0.00 175.76 176.39 3dg3 s ILE 6 N -1.53 0.23 0.26 0.00 1.01 -1.26 -0.18 121.20 119.73 3dg3 s ILE 6 Ca -0.02 0.19 0.11 0.00 0.00 0.00 0.00 60.65 60.93 3dg3 s ILE 6 Cb -0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 3dg3 s ILE 6 CO 0.01 0.22 -0.11 -0.83 0.00 0.00 0.00 174.94 174.24 3dg3 s GLY 7 N 1.87 1.76 -0.20 6.18 0.00 0.19 -4.88 107.32 112.24 3dg3 s GLY 7 Ca 0.03 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 3dg3 s GLY 7 CO -0.04 -1.79 0.06 0.00 0.00 0.00 0.00 173.10 171.33 3dg3 s ALA 8 N -2.28 0.91 -0.27 3.20 0.00 -1.26 -1.35 121.76 120.72 3dg3 s ALA 8 Ca 0.29 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 3dg3 s ALA 8 Cb -0.06 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.87 3dg3 s ALA 8 CO 0.17 -1.24 0.01 0.42 0.00 0.00 0.00 175.76 175.12 3dg3 s ILE 9 N 1.91 3.50 0.30 0.00 1.01 0.48 -4.91 121.20 123.48 3dg3 s ILE 9 Ca 0.01 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 3dg3 s ILE 9 Cb -0.17 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 3dg3 s ILE 9 CO -0.11 0.18 1.07 -2.16 0.00 0.00 0.00 174.94 173.92 3dg3 s PRO 10 N 1.44 4.57 0.07 2.79 0.04 -1.26 -0.07 135.00 142.58 3dg3 s PRO 10 Ca 0.02 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 3dg3 s PRO 10 Cb -0.16 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 3dg3 s PRO 10 CO -0.01 0.18 0.15 -0.59 0.04 0.00 0.00 177.00 176.77 3dg3 s PHE 11 N -1.26 0.19 -0.03 0.56 -0.12 -0.51 -0.83 117.98 115.98 3dg3 s PHE 11 Ca 0.47 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 3dg3 s PHE 11 Cb -0.29 -0.11 0.03 0.00 -0.63 0.00 0.00 43.02 42.02 3dg3 s PHE 11 CO 0.37 -0.49 0.01 0.45 -0.05 0.00 0.00 175.22 175.51 3dg3 s SER 12 N -2.71 0.38 -0.10 1.98 0.15 -0.38 -2.01 113.70 111.00 3dg3 s SER 12 Ca 0.03 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 3dg3 s SER 12 Cb 0.04 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 3dg3 s SER 12 CO -0.09 -0.11 -0.07 -0.63 1.20 0.00 0.00 173.24 173.54 3dg3 s ILE 13 N 1.04 0.97 0.64 6.45 1.01 -0.58 -4.76 121.20 125.96 3dg3 s ILE 13 Ca -0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 3dg3 s ILE 13 Cb -0.13 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3dg3 s ILE 13 CO -0.02 0.35 1.25 -2.84 0.00 0.00 0.00 174.94 173.68 3dg3 s PRO 14 N 1.57 2.64 0.27 2.79 0.02 -1.26 0.00 135.00 141.03 3dg3 s PRO 14 Ca 0.02 1.92 -0.06 0.00 0.02 0.00 0.00 61.00 62.90 3dg3 s PRO 14 Cb -0.13 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3dg3 s PRO 14 CO -0.06 -1.49 0.54 0.71 -0.33 0.00 0.00 177.00 176.37 3dg3 s TYR 15 N -1.58 3.46 -0.62 6.54 1.51 -1.26 -1.51 117.35 123.90 3dg3 s TYR 15 Ca 0.79 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 3dg3 s TYR 15 Cb -0.33 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.38 3dg3 s TYR 15 CO 0.38 0.21 0.66 2.41 -1.11 0.00 0.00 175.55 178.10 3dg3 n THR 16 N -0.67 0.36 -4.43 -0.71 -1.04 0.36 -4.72 114.28 103.45 3dg3 n THR 16 Ca -0.01 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 3dg3 n THR 16 Cb 0.53 -0.67 -0.13 0.00 -1.82 0.00 0.00 70.33 68.24 3dg3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dg3 s ALA 28 N -0.60 1.47 -0.55 2.41 0.00 -1.26 -5.04 121.76 118.19 3dg3 s ALA 28 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 3dg3 s ALA 28 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3dg3 s ALA 28 CO 0.00 0.30 0.82 0.00 0.00 0.00 0.00 175.76 176.87 3dg3 s ALA 29 N -0.92 3.25 -0.95 0.00 0.00 0.10 -4.91 121.76 118.33 3dg3 s ALA 29 Ca 0.04 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.38 3dg3 s ALA 29 Cb -0.09 -3.60 0.24 0.00 0.00 0.00 0.00 23.12 19.67 3dg3 s ALA 29 CO 0.02 -2.29 0.89 -1.21 0.00 0.00 0.00 175.76 173.17 3dg3 s GLU 30 N 3.41 3.67 0.42 0.00 2.02 -1.26 -1.53 118.70 125.44 3dg3 s GLU 30 Ca 0.23 -3.04 0.05 0.00 0.02 0.00 0.00 54.97 52.23 3dg3 s GLU 30 Cb -0.16 -4.28 0.05 0.00 0.10 0.00 0.00 34.13 29.84 3dg3 s GLU 30 CO 0.15 -1.25 0.45 0.72 0.02 0.00 0.00 175.26 175.34 3dg3 n HIS 31 N 2.89 -1.62 -4.25 1.61 8.25 -0.85 -4.27 115.22 116.98 3dg3 n HIS 31 Ca 0.20 -1.66 -0.27 0.00 -0.26 0.00 0.00 57.72 55.73 3dg3 n HIS 31 Cb 0.40 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 3dg3 n HIS 31 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dg3 s VAL 32 N -1.86 1.23 -0.21 1.59 1.01 -0.75 -1.43 120.40 119.98 3dg3 s VAL 32 Ca 0.34 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 3dg3 s VAL 32 Cb -0.03 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3dg3 s VAL 32 CO 0.22 0.39 0.73 -0.22 0.00 0.00 0.00 175.10 176.22 3dg3 s LEU 33 N 1.20 4.12 -0.17 3.92 2.96 0.90 -0.74 118.68 130.88 3dg3 s LEU 33 Ca -0.04 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 54.78 3dg3 s LEU 33 Cb -0.14 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3dg3 s LEU 33 CO -0.03 -0.38 0.01 -0.69 -1.32 0.00 0.00 176.35 173.93 3dg3 s VAL 34 N 2.30 4.33 -0.09 1.68 1.01 0.65 -0.39 120.40 129.89 3dg3 s VAL 34 Ca 0.32 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3dg3 s VAL 34 Cb -0.16 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3dg3 s VAL 34 CO 0.10 0.48 -0.13 -0.13 0.00 0.00 0.00 175.10 175.42 3dg3 s ARG 35 N 0.32 1.86 -0.31 2.72 0.52 -0.46 -1.94 118.95 121.66 3dg3 s ARG 35 Ca -0.00 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 3dg3 s ARG 35 Cb -0.13 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.75 3dg3 s ARG 35 CO 0.02 -0.04 0.12 0.08 0.02 0.00 0.00 175.30 175.49 3dg3 s VAL 36 N 0.92 4.22 -0.10 3.52 1.01 0.05 -0.64 120.40 129.39 3dg3 s VAL 36 Ca -0.09 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3dg3 s VAL 36 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3dg3 s VAL 36 CO 0.00 0.03 0.26 -1.00 0.00 0.00 0.00 175.10 174.40 3dg3 s HIS 37 N 1.54 3.60 0.38 5.22 3.76 0.75 -0.81 115.29 129.73 3dg3 s HIS 37 Ca 0.03 0.68 0.08 0.00 -0.15 0.00 0.00 55.06 55.70 3dg3 s HIS 37 Cb -0.17 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 3dg3 s HIS 37 CO 0.04 0.56 0.17 0.95 -0.85 0.00 0.00 174.74 175.61 3dg3 s THR 38 N -0.60 2.62 -2.00 1.30 -4.23 -0.21 -0.37 115.64 112.15 3dg3 s THR 38 Ca 0.18 -1.69 0.18 0.00 -1.18 0.00 0.00 61.69 59.18 3dg3 s THR 38 Cb -0.14 -2.97 0.52 0.00 1.34 0.00 0.00 72.50 71.25 3dg3 s THR 38 CO 0.07 -0.08 1.56 -0.90 -0.54 0.00 0.00 174.62 174.73 3dg3 n ASP 39 N -1.21 0.00 -0.97 3.99 5.75 -0.05 -2.11 116.55 121.95 3dg3 n ASP 39 Ca -0.02 -0.99 0.10 0.00 -0.01 0.00 0.00 54.79 53.88 3dg3 n ASP 39 Cb 0.63 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.89 3dg3 n ASP 39 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3dg3 n ASP 40 N -0.87 3.13 0.00 -1.12 10.43 -1.26 -4.94 116.55 121.92 3dg3 n ASP 40 Ca 0.14 -1.92 0.00 0.00 2.57 0.00 0.00 54.79 55.58 3dg3 n ASP 40 Cb 0.06 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 42.84 3dg3 n ASP 40 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dg3 n GLY 41 N 1.24 0.80 3.80 0.44 0.00 -0.89 -5.02 105.19 105.55 3dg3 n GLY 41 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3dg3 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dg3 s ILE 42 N -3.12 4.52 -0.18 -0.61 1.01 -1.26 -4.88 121.20 116.68 3dg3 s ILE 42 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.09 3dg3 s ILE 42 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3dg3 s ILE 42 CO 0.00 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.56 3dg3 s VAL 43 N -1.30 1.45 0.17 2.92 1.01 -1.26 -1.04 120.40 122.36 3dg3 s VAL 43 Ca 0.37 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3dg3 s VAL 43 Cb -0.20 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 3dg3 s VAL 43 CO 0.23 0.18 0.49 -0.83 0.00 0.00 0.00 175.10 175.17 3dg3 s GLY 44 N 1.48 2.32 0.15 4.51 0.00 0.01 -4.78 107.32 111.01 3dg3 s GLY 44 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3dg3 s GLY 44 CO -0.08 -0.15 -0.02 -1.34 0.00 0.00 0.00 173.10 171.51 3dg3 s VAL 45 N -1.64 0.68 0.03 1.40 -7.23 -1.26 -0.77 120.40 111.61 3dg3 s VAL 45 Ca 0.42 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 3dg3 s VAL 45 Cb -0.13 -1.99 0.10 0.00 0.56 0.00 0.00 36.38 34.93 3dg3 s VAL 45 CO 0.21 -0.59 1.14 0.00 -0.31 0.00 0.00 175.10 175.55 3dg3 s ALA 46 N -3.65 -1.99 0.20 1.32 0.00 -0.82 -4.04 121.76 112.78 3dg3 s ALA 46 Ca 0.20 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.83 3dg3 s ALA 46 Cb 0.06 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3dg3 s ALA 46 CO 0.01 -1.00 -0.20 -1.83 0.00 0.00 0.00 175.76 172.74 3dg3 s GLU 47 N -2.78 1.45 -0.22 0.00 -1.05 -1.26 -0.26 118.70 114.58 3dg3 s GLU 47 Ca 0.13 -1.53 0.01 0.00 -0.15 0.00 0.00 54.97 53.42 3dg3 s GLU 47 Cb 0.02 -1.59 0.05 0.00 -0.44 0.00 0.00 34.13 32.18 3dg3 s GLU 47 CO -0.02 0.32 -0.07 0.00 0.95 0.00 0.00 175.26 176.44 3dg3 s ALA 48 N -2.07 2.00 -0.38 -0.84 0.00 0.08 -4.58 121.76 115.98 3dg3 s ALA 48 Ca 0.21 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 3dg3 s ALA 48 Cb -0.06 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3dg3 s ALA 48 CO 0.09 -1.08 0.77 -1.25 0.00 0.00 0.00 175.76 174.29 3dg3 s PRO 49 N 1.38 3.69 -0.10 0.00 0.04 -1.26 -1.81 135.00 136.94 3dg3 s PRO 49 Ca -0.05 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.92 3dg3 s PRO 49 Cb -0.18 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 3dg3 s PRO 49 CO -0.07 -0.89 1.39 -1.25 0.04 0.00 0.00 177.00 176.23 3dg3 s PRO 50 N 3.10 4.24 -0.58 0.56 0.04 -1.26 -4.91 135.00 136.19 3dg3 s PRO 50 Ca 0.31 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.25 3dg3 s PRO 50 Cb -0.13 -3.78 0.16 0.00 0.04 0.00 0.00 34.50 30.80 3dg3 s PRO 50 CO 0.18 -0.70 0.41 1.03 0.04 0.00 0.00 177.00 177.95 3dg3 s ARG 51 N 3.35 1.87 0.57 4.56 1.81 -1.22 -4.89 118.95 124.99 3dg3 s ARG 51 Ca 0.62 -2.81 0.26 0.00 -1.72 0.00 0.00 55.73 52.08 3dg3 s ARG 51 Cb -0.27 -2.73 1.55 0.00 -0.45 0.00 0.00 34.95 33.05 3dg3 s ARG 51 CO 0.21 -1.29 2.11 -1.00 -0.68 0.00 0.00 175.30 174.65 3dg3 h PRO 52 N 5.68 0.00 -0.24 3.54 0.13 -1.72 0.89 132.00 140.28 3dg3 h PRO 52 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dg3 h PRO 52 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3dg3 h PRO 52 CO 0.59 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.55 3dg3 n PHE 53 N -4.06 0.31 0.00 1.56 0.99 -1.26 -2.33 117.46 112.68 3dg3 n PHE 53 Ca 0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 3dg3 n PHE 53 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.78 3dg3 n PHE 53 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3dg3 n THR 54 N 0.43 0.00 0.00 4.37 -1.04 -0.48 -4.91 114.28 112.65 3dg3 n THR 54 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3dg3 n THR 54 Cb 0.33 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3dg3 n THR 54 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3dg3 n TYR 55 N -2.45 0.00 -0.58 -1.42 4.01 0.19 -5.03 117.16 111.88 3dg3 n TYR 55 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3dg3 n TYR 55 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3dg3 n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dg3 n GLY 56 N 1.81 0.74 3.85 2.72 0.00 -0.94 -4.84 105.19 108.53 3dg3 n GLY 56 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dg3 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dg3 s GLU 57 N -0.42 4.01 0.27 1.61 2.02 -1.25 -4.77 118.70 120.16 3dg3 s GLU 57 Ca 0.00 0.69 0.09 0.00 0.02 0.00 0.00 54.97 55.77 3dg3 s GLU 57 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 3dg3 s GLU 57 CO 0.00 0.14 -0.14 0.95 0.02 0.00 0.00 175.26 176.22 3dg3 s THR 58 N -2.01 2.07 0.19 3.63 -4.23 -1.26 -2.07 115.64 111.96 3dg3 s THR 58 Ca 0.55 -2.27 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 3dg3 s THR 58 Cb -0.10 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.54 3dg3 s THR 58 CO 0.18 -0.42 1.85 -0.61 -0.54 0.00 0.00 174.62 175.07 3dg3 h GLN 59 N 2.33 0.76 -0.69 3.99 4.15 -1.90 -0.27 115.11 123.47 3dg3 h GLN 59 Ca -0.40 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 58.93 3dg3 h GLN 59 Cb 1.24 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 3dg3 h GLN 59 CO 0.63 0.50 0.23 1.15 -1.93 0.00 0.00 178.83 179.42 3dg3 h THR 60 N 0.78 1.25 -0.54 2.39 2.02 -1.98 -2.85 112.91 113.99 3dg3 h THR 60 Ca 0.22 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 3dg3 h THR 60 Cb -0.06 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3dg3 h THR 60 CO -0.06 0.33 0.04 1.23 0.37 0.00 0.00 175.52 177.43 3dg3 h GLY 61 N 1.00 0.95 0.83 2.16 0.00 -1.79 -1.85 103.07 104.36 3dg3 h GLY 61 Ca 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3dg3 h GLY 61 CO -0.01 0.57 0.04 -2.22 0.00 0.00 0.00 176.54 174.92 3dg3 h ILE 62 N 0.82 1.19 -0.88 2.60 2.04 -0.95 -0.56 117.51 121.78 3dg3 h ILE 62 Ca 0.16 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3dg3 h ILE 62 Cb 0.43 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3dg3 h ILE 62 CO 0.02 0.17 0.55 0.58 0.00 0.00 0.00 178.15 179.47 3dg3 h VAL 63 N 0.02 1.24 -0.14 1.67 2.07 -1.43 -2.01 116.25 117.67 3dg3 h VAL 63 Ca 0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3dg3 h VAL 63 Cb 0.24 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3dg3 h VAL 63 CO -0.00 0.24 0.04 0.00 0.02 0.00 0.00 177.57 177.88 3dg3 h ALA 64 N 1.30 0.18 -0.20 1.67 0.00 -1.09 -0.83 119.26 120.29 3dg3 h ALA 64 Ca 0.32 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3dg3 h ALA 64 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dg3 h ALA 64 CO -0.06 -0.20 -0.22 -0.24 0.00 0.00 0.00 179.25 178.52 3dg3 h VAL 65 N 0.05 1.24 -0.04 0.00 3.04 -0.96 0.67 116.25 120.25 3dg3 h VAL 65 Ca 0.05 -1.13 -0.04 0.00 -1.01 0.00 0.00 66.70 64.57 3dg3 h VAL 65 Cb 0.22 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3dg3 h VAL 65 CO -0.00 0.35 -0.11 0.40 -1.01 0.00 0.00 177.57 177.20 3dg3 h ILE 66 N 0.32 1.44 -0.39 3.17 2.04 -1.26 -0.23 117.51 122.60 3dg3 h ILE 66 Ca 0.05 -1.49 -0.13 0.00 1.00 0.00 0.00 64.86 64.29 3dg3 h ILE 66 Cb 0.58 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 3dg3 h ILE 66 CO 0.04 0.41 -0.29 -0.33 0.00 0.00 0.00 178.15 177.97 3dg3 h GLU 67 N -0.38 0.85 0.00 2.37 5.08 -1.07 0.17 114.58 121.60 3dg3 h GLU 67 Ca -0.00 -0.39 -0.22 0.00 -1.00 0.00 0.00 59.36 57.75 3dg3 h GLU 67 Cb 0.72 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3dg3 h GLU 67 CO 0.02 1.03 -1.42 1.96 -1.00 0.00 0.00 179.01 179.61 3dg3 h GLN 68 N 0.72 0.00 0.00 2.33 4.20 -0.95 -3.41 115.11 118.00 3dg3 h GLN 68 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3dg3 h GLN 68 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3dg3 h GLN 68 CO 0.07 0.48 -0.17 0.66 -0.67 0.00 0.00 178.83 179.20 3dg3 n TYR 69 N -3.04 -0.11 -0.03 2.96 4.01 -0.18 -4.81 117.16 115.96 3dg3 n TYR 69 Ca -0.11 0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.53 3dg3 n TYR 69 Cb 0.93 0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.92 3dg3 n TYR 69 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3dg3 h PHE 70 N 0.00 0.19 0.19 -0.72 0.04 -1.30 -2.94 116.94 112.40 3dg3 h PHE 70 Ca 0.00 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3dg3 h PHE 70 Cb 0.17 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3dg3 h PHE 70 CO 0.00 0.46 -0.39 0.00 -0.60 0.00 0.00 178.31 177.78 3dg3 h ALA 71 N 0.70 -0.72 0.00 2.45 0.00 -0.91 -1.16 119.26 119.62 3dg3 h ALA 71 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dg3 h ALA 71 Cb 0.39 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dg3 h ALA 71 CO 0.01 -0.96 -0.03 -1.00 0.00 0.00 0.00 179.25 177.26 3dg3 h PRO 72 N -0.66 0.00 0.00 0.00 0.13 -1.79 -1.64 132.00 128.03 3dg3 h PRO 72 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3dg3 h PRO 72 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3dg3 h PRO 72 CO -0.19 0.03 -0.08 0.00 -0.23 0.00 0.00 178.00 177.53 3dg3 h ALA 73 N 1.97 0.96 0.00 -0.56 0.00 -1.17 -3.35 119.26 117.10 3dg3 h ALA 73 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3dg3 h ALA 73 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dg3 h ALA 73 CO 0.00 0.00 -1.78 1.28 0.00 0.00 0.00 179.25 178.76 3dg3 n LEU 74 N -3.04 0.00 -4.70 0.00 4.77 -0.51 -4.95 117.00 108.56 3dg3 n LEU 74 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 3dg3 n LEU 74 Cb 0.53 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 3dg3 n LEU 74 CO 0.34 0.06 1.16 -0.38 -1.33 0.00 0.00 177.39 177.25 3dg3 n ILE 75 N -2.14 0.74 0.00 -0.08 5.41 -0.69 -1.84 119.36 120.76 3dg3 n ILE 75 Ca -0.07 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3dg3 n ILE 75 Cb 0.51 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 3dg3 n ILE 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dg3 n GLY 76 N 2.54 2.90 3.84 7.39 0.00 -0.16 -5.01 105.19 116.69 3dg3 n GLY 76 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3dg3 n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dg3 s LEU 77 N 0.00 3.67 0.53 0.99 1.43 -0.77 -4.70 118.68 119.84 3dg3 s LEU 77 Ca 0.00 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 3dg3 s LEU 77 Cb 0.00 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.72 3dg3 s LEU 77 CO 0.00 -0.58 0.78 0.42 0.23 0.00 0.00 176.35 177.19 3dg3 s THR 78 N -2.53 3.36 -1.55 5.49 -4.23 -1.26 -0.51 115.64 114.40 3dg3 s THR 78 Ca 0.60 -0.44 0.18 0.00 -1.18 0.00 0.00 61.69 60.85 3dg3 s THR 78 Cb -0.10 -3.28 0.36 0.00 1.34 0.00 0.00 72.50 70.82 3dg3 s THR 78 CO 0.28 -0.22 1.54 0.18 -0.54 0.00 0.00 174.62 175.86 3dg3 n LEU 79 N -2.33 0.00 -1.59 4.79 4.77 0.34 -2.66 117.00 120.32 3dg3 n LEU 79 Ca 0.05 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.10 3dg3 n LEU 79 Cb 0.59 -0.22 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 3dg3 n LEU 79 CO 0.48 -0.09 0.66 0.35 -1.33 0.00 0.00 177.39 177.46 3dg3 n THR 80 N -1.22 2.72 -2.54 -5.08 -2.24 -1.26 -4.43 114.28 100.23 3dg3 n THR 80 Ca 0.10 -3.22 -0.10 0.00 -2.27 0.00 0.00 64.05 58.56 3dg3 n THR 80 Cb 0.13 -0.68 0.04 0.00 -2.10 0.00 0.00 70.33 67.71 3dg3 n THR 80 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dg3 n GLU 81 N -0.98 2.39 -0.26 -0.78 1.02 -1.09 -4.91 120.64 116.04 3dg3 n GLU 81 Ca 0.41 -3.76 0.10 0.00 -0.02 0.00 0.00 57.16 53.90 3dg3 n GLU 81 Cb 0.96 -1.83 0.36 0.00 -0.02 0.00 0.00 31.44 30.91 3dg3 n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dg3 h ARG 82 N 2.50 0.71 0.00 3.49 3.08 -1.81 -0.79 114.38 121.56 3dg3 h ARG 82 Ca 0.05 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3dg3 h ARG 82 Cb 1.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3dg3 h ARG 82 CO 0.43 0.47 -0.37 0.93 -1.07 0.00 0.00 179.97 180.36 3dg3 h GLU 83 N 0.73 0.00 -0.16 0.04 4.39 -1.98 0.18 114.58 117.79 3dg3 h GLU 83 Ca 0.42 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.98 3dg3 h GLU 83 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3dg3 h GLU 83 CO -0.18 0.37 -0.44 0.28 -1.16 0.00 0.00 179.01 177.88 3dg3 h VAL 84 N 0.00 1.34 -0.64 3.13 2.07 -1.58 -1.28 116.25 119.30 3dg3 h VAL 84 Ca -0.00 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 3dg3 h VAL 84 Cb 0.84 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3dg3 h VAL 84 CO 0.05 0.52 0.21 0.00 0.02 0.00 0.00 177.57 178.37 3dg3 h ALA 85 N 0.54 0.83 -0.33 1.67 0.00 -1.07 -0.50 119.26 120.40 3dg3 h ALA 85 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dg3 h ALA 85 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3dg3 h ALA 85 CO 0.09 0.49 0.20 1.25 0.00 0.00 0.00 179.25 181.29 3dg3 h HIS 86 N 0.91 0.43 -0.49 0.00 6.17 -0.59 -0.88 115.15 120.70 3dg3 h HIS 86 Ca 0.21 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.20 3dg3 h HIS 86 Cb 0.27 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 3dg3 h HIS 86 CO 0.02 0.30 -0.05 1.15 0.71 0.00 0.00 177.93 180.07 3dg3 h THR 87 N 0.43 1.27 -0.28 6.26 2.02 -1.01 -1.34 112.91 120.26 3dg3 h THR 87 Ca 0.12 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 3dg3 h THR 87 Cb -0.01 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3dg3 h THR 87 CO -0.02 0.40 0.02 0.03 0.37 0.00 0.00 175.52 176.32 3dg3 h ARG 88 N 0.75 0.48 -0.17 6.66 3.08 -0.93 -2.82 114.38 121.44 3dg3 h ARG 88 Ca 0.13 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3dg3 h ARG 88 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3dg3 h ARG 88 CO 0.03 0.62 -0.17 0.52 -1.07 0.00 0.00 179.97 179.91 3dg3 h MET 89 N 0.28 0.28 0.00 0.04 2.86 -1.13 -2.47 114.93 114.79 3dg3 h MET 89 Ca 0.08 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3dg3 h MET 89 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3dg3 h MET 89 CO 0.01 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.43 3dg3 h ALA 90 N 1.57 1.00 -0.15 6.32 0.00 -0.98 -1.49 119.26 125.54 3dg3 h ALA 90 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3dg3 h ALA 90 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3dg3 h ALA 90 CO 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.06 3dg3 h ARG 91 N 0.00 0.26 -5.96 0.00 3.08 -1.40 -3.40 114.38 106.96 3dg3 h ARG 91 Ca 0.00 -0.08 -0.56 0.00 0.07 0.00 0.00 59.98 59.41 3dg3 h ARG 91 Cb 0.13 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3dg3 h ARG 91 CO 0.00 0.47 0.03 0.99 -1.07 0.00 0.00 179.97 180.39 3dg3 s THR 92 N -4.54 5.08 0.35 2.04 2.01 -0.56 -5.05 115.64 114.97 3dg3 s THR 92 Ca -0.05 1.32 -0.21 0.00 0.31 0.00 0.00 61.69 63.06 3dg3 s THR 92 Cb 0.15 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 3dg3 s THR 92 CO 0.75 0.27 0.88 -0.69 -0.69 0.00 0.00 174.62 175.14 3dg3 s VAL 93 N 0.74 4.42 0.00 3.82 1.01 -1.26 -4.89 120.40 124.24 3dg3 s VAL 93 Ca 0.35 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.77 3dg3 s VAL 93 Cb -0.17 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3dg3 s VAL 93 CO 0.16 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3dg3 n GLY 94 N -0.09 2.00 3.96 4.51 0.00 -1.26 -4.91 105.19 109.40 3dg3 n GLY 94 Ca 0.04 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3dg3 n GLY 94 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dg3 n ASN 95 N 0.97 -1.22 -0.02 1.61 3.02 -1.26 -4.89 115.26 113.46 3dg3 n ASN 95 Ca 0.00 -0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 53.50 3dg3 n ASN 95 Cb 0.00 -3.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.94 3dg3 n ASN 95 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3dg3 h PRO 96 N -1.81 -0.07 0.00 3.52 0.13 -1.91 -2.43 132.00 129.43 3dg3 h PRO 96 Ca -0.62 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.43 3dg3 h PRO 96 Cb 1.37 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3dg3 h PRO 96 CO 0.64 -0.05 -0.43 1.79 -0.23 0.00 0.00 178.00 179.73 3dg3 h THR 97 N -0.07 1.20 -0.17 1.56 1.35 -1.81 -0.06 112.91 114.91 3dg3 h THR 97 Ca 0.09 -1.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.40 3dg3 h THR 97 Cb 0.21 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 3dg3 h THR 97 CO -0.21 0.42 0.03 0.00 -0.25 0.00 0.00 175.52 175.51 3dg3 h ALA 98 N 1.57 0.23 -0.30 6.62 0.00 -1.82 -0.37 119.26 125.19 3dg3 h ALA 98 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3dg3 h ALA 98 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3dg3 h ALA 98 CO 0.06 -0.11 0.04 0.87 0.00 0.00 0.00 179.25 180.10 3dg3 h LYS 99 N 0.08 0.51 -0.77 0.00 1.57 -1.23 -2.79 116.57 113.94 3dg3 h LYS 99 Ca 0.05 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3dg3 h LYS 99 Cb 0.30 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3dg3 h LYS 99 CO 0.00 0.62 0.51 0.00 -0.57 0.00 0.00 179.45 180.01 3dg3 h ALA 100 N 0.87 0.98 -0.58 3.86 0.00 -0.93 -1.44 119.26 122.00 3dg3 h ALA 100 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dg3 h ALA 100 Cb 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dg3 h ALA 100 CO 0.01 0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.96 3dg3 h ALA 101 N 1.28 0.74 -0.51 0.00 0.00 -1.01 -0.18 119.26 119.59 3dg3 h ALA 101 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dg3 h ALA 101 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3dg3 h ALA 101 CO -0.06 0.27 0.21 0.82 0.00 0.00 0.00 179.25 180.49 3dg3 h ILE 102 N 0.78 1.21 -0.38 0.00 2.04 -1.19 0.18 117.51 120.15 3dg3 h ILE 102 Ca 0.20 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3dg3 h ILE 102 Cb 0.06 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3dg3 h ILE 102 CO -0.03 0.24 0.23 -0.78 0.00 0.00 0.00 178.15 177.81 3dg3 h ASP 103 N 0.68 0.45 -0.07 1.72 3.58 -0.90 -0.59 116.42 121.29 3dg3 h ASP 103 Ca 0.17 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 3dg3 h ASP 103 Cb 0.18 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3dg3 h ASP 103 CO -0.02 0.37 -0.31 0.24 -2.88 0.00 0.00 179.24 176.64 3dg3 h MET 104 N 0.49 0.55 -0.36 0.28 2.86 -0.84 -1.19 114.93 116.72 3dg3 h MET 104 Ca 0.14 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 3dg3 h MET 104 Cb -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3dg3 h MET 104 CO -0.03 0.79 -0.19 0.00 1.06 0.00 0.00 176.91 178.55 3dg3 h ALA 105 N 1.20 0.99 -0.46 6.32 0.00 -0.73 0.27 119.26 126.85 3dg3 h ALA 105 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3dg3 h ALA 105 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3dg3 h ALA 105 CO 0.06 0.59 0.09 0.52 0.00 0.00 0.00 179.25 180.52 3dg3 h MET 106 N 0.61 0.76 -0.53 0.00 2.07 -0.71 -0.77 114.93 116.36 3dg3 h MET 106 Ca 0.09 -0.20 -0.06 0.00 -2.07 0.00 0.00 59.70 57.47 3dg3 h MET 106 Cb 0.66 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 3dg3 h MET 106 CO 0.05 0.76 0.10 -1.49 1.07 0.00 0.00 176.91 177.40 3dg3 h TRP 107 N 0.63 0.86 -0.16 -0.22 4.06 -0.88 -0.16 115.95 120.08 3dg3 h TRP 107 Ca 0.14 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3dg3 h TRP 107 Cb 0.36 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3dg3 h TRP 107 CO 0.02 0.74 0.07 0.22 -3.56 0.00 0.00 178.44 175.93 3dg3 h ASP 108 N 0.79 0.21 -0.90 -3.49 3.58 -0.60 -0.25 116.42 115.76 3dg3 h ASP 108 Ca 0.17 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3dg3 h ASP 108 Cb 0.34 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 3dg3 h ASP 108 CO 0.00 0.29 0.53 0.00 -2.88 0.00 0.00 179.24 177.18 3dg3 h ALA 109 N 0.92 1.15 -0.38 -0.78 0.00 -0.84 -1.06 119.26 118.26 3dg3 h ALA 109 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dg3 h ALA 109 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dg3 h ALA 109 CO -0.01 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.27 3dg3 h LEU 110 N 1.24 0.53 -0.69 0.00 5.85 -0.74 -0.80 115.31 120.69 3dg3 h LEU 110 Ca 0.32 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dg3 h LEU 110 Cb -0.03 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3dg3 h LEU 110 CO -0.06 0.55 0.42 1.23 -0.34 0.00 0.00 178.44 180.24 3dg3 h GLY 111 N 0.48 1.01 1.19 3.75 0.00 -0.59 -0.98 103.07 107.92 3dg3 h GLY 111 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3dg3 h GLY 111 CO -0.01 0.41 0.16 1.46 0.00 0.00 0.00 176.54 178.55 3dg3 h GLN 112 N 0.95 1.01 -0.04 4.80 4.20 -0.96 0.34 115.11 125.40 3dg3 h GLN 112 Ca 0.25 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3dg3 h GLN 112 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3dg3 h GLN 112 CO -0.05 0.89 -0.34 0.77 -0.67 0.00 0.00 178.83 179.43 3dg3 h SER 113 N 0.96 0.08 -0.02 1.46 0.02 -0.48 -3.07 113.55 112.51 3dg3 h SER 113 Ca 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3dg3 h SER 113 Cb 0.33 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3dg3 h SER 113 CO -0.00 0.42 -0.29 0.18 -1.14 0.00 0.00 176.83 176.01 3dg3 n LEU 114 N -4.11 2.03 -3.16 5.07 4.77 -0.43 -4.98 117.00 116.19 3dg3 n LEU 114 Ca -0.02 -0.83 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 3dg3 n LEU 114 Cb 0.40 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3dg3 n LEU 114 CO 0.39 0.37 0.20 0.54 -1.33 0.00 0.00 177.39 177.56 3dg3 n ARG 115 N 0.25 -6.70 -4.28 3.23 1.74 0.10 -5.02 116.66 105.98 3dg3 n ARG 115 Ca 0.09 0.72 -0.18 0.00 -0.77 0.00 0.00 57.85 57.70 3dg3 n ARG 115 Cb 0.42 -5.41 -0.13 0.00 -1.02 0.00 0.00 32.46 26.32 3dg3 n ARG 115 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dg3 s LEU 116 N -6.33 2.17 0.53 0.55 1.43 -0.19 -4.84 118.68 112.00 3dg3 s LEU 116 Ca 0.42 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3dg3 s LEU 116 Cb -0.19 -0.49 -0.07 0.00 0.03 0.00 0.00 46.19 45.47 3dg3 s LEU 116 CO 0.63 -0.00 1.01 -0.94 0.23 0.00 0.00 176.35 177.27 3dg3 s SER 117 N -1.09 6.39 0.20 2.29 1.04 -1.26 0.05 113.70 121.31 3dg3 s SER 117 Ca -0.00 1.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.99 3dg3 s SER 117 Cb -0.08 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.65 3dg3 s SER 117 CO 0.01 -0.75 1.86 0.58 0.98 0.00 0.00 173.24 175.92 3dg3 h VAL 118 N 0.91 1.18 -0.38 5.02 2.07 -1.47 -1.91 116.25 121.68 3dg3 h VAL 118 Ca -0.47 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3dg3 h VAL 118 Cb 1.20 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3dg3 h VAL 118 CO 0.60 0.18 -0.04 -1.28 0.02 0.00 0.00 177.57 177.05 3dg3 h SER 119 N 0.94 -0.23 -0.14 0.57 0.87 -1.83 -0.73 113.55 113.00 3dg3 h SER 119 Ca 0.25 0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 3dg3 h SER 119 Cb -0.09 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3dg3 h SER 119 CO -0.05 -0.07 -0.39 1.05 -0.53 0.00 0.00 176.83 176.83 3dg3 h GLU 120 N 0.06 0.67 -0.37 2.24 4.11 -1.82 -0.85 114.58 118.63 3dg3 h GLU 120 Ca 0.18 -0.34 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 3dg3 h GLU 120 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3dg3 h GLU 120 CO -0.34 0.95 0.12 0.52 0.07 0.00 0.00 179.01 180.33 3dg3 h MET 121 N 0.56 0.53 0.00 1.06 2.86 -0.78 -2.47 114.93 116.69 3dg3 h MET 121 Ca 0.05 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dg3 h MET 121 Cb 0.92 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 3dg3 h MET 121 CO 0.08 0.47 -0.01 -0.07 1.06 0.00 0.00 176.91 178.44 3dg3 h LEU 122 N 0.53 0.00 0.00 1.22 3.38 -0.90 -3.46 115.31 116.07 3dg3 h LEU 122 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dg3 h LEU 122 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dg3 h LEU 122 CO -0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3dg3 n GLY 123 N 0.75 0.48 3.91 0.83 0.00 -0.93 -4.90 105.19 105.32 3dg3 n GLY 123 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3dg3 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dg3 n GLY 124 N 0.00 -0.49 0.17 -0.02 0.00 -0.35 -4.90 105.19 99.60 3dg3 n GLY 124 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3dg3 n GLY 124 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dg3 h TYR 125 N -1.94 0.47 -4.41 1.61 3.20 -1.27 -3.46 116.97 111.17 3dg3 h TYR 125 Ca -0.57 0.01 -0.36 0.00 3.14 0.00 0.00 58.73 60.96 3dg3 h TYR 125 Cb 1.37 -0.16 -0.10 0.00 1.54 0.00 0.00 36.73 39.39 3dg3 h TYR 125 CO 0.58 0.29 -0.29 -0.08 -1.64 0.00 0.00 178.16 177.02 3dg3 s THR 126 N -6.16 0.00 -0.86 1.81 -1.32 -0.14 -5.02 115.64 103.95 3dg3 s THR 126 Ca -0.13 -1.74 0.08 0.00 -1.21 0.00 0.00 61.69 58.69 3dg3 s THR 126 Cb 0.11 -2.61 0.16 0.00 -1.51 0.00 0.00 72.50 68.65 3dg3 s THR 126 CO 0.72 0.00 1.01 -0.90 -2.21 0.00 0.00 174.62 173.24 3dg3 n ASP 127 N -1.52 2.27 -3.57 8.08 5.75 -1.26 -4.61 116.55 121.70 3dg3 n ASP 127 Ca 0.03 -1.72 -0.10 0.00 -0.01 0.00 0.00 54.79 52.99 3dg3 n ASP 127 Cb 0.62 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 3dg3 n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dg3 s ARG 128 N -0.87 1.44 0.07 0.11 1.70 -1.26 -1.47 118.95 118.66 3dg3 s ARG 128 Ca 0.14 -0.64 0.05 0.00 -0.47 0.00 0.00 55.73 54.81 3dg3 s ARG 128 Cb 0.08 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 3dg3 s ARG 128 CO 0.11 -0.64 -0.15 -1.64 -1.08 0.00 0.00 175.30 171.91 3dg3 s MET 129 N -3.81 0.85 0.43 3.89 -1.94 -0.30 -4.84 119.30 113.59 3dg3 s MET 129 Ca 0.04 -0.96 -0.22 0.00 -1.71 0.00 0.00 55.69 52.85 3dg3 s MET 129 Cb -0.02 -0.87 -0.10 0.00 2.01 0.00 0.00 34.83 35.84 3dg3 s MET 129 CO -0.07 0.20 0.99 1.03 -0.01 0.00 0.00 175.02 177.16 3dg3 s ARG 130 N -1.71 4.13 -0.07 2.03 0.52 -1.26 -0.95 118.95 121.64 3dg3 s ARG 130 Ca -0.01 1.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 3dg3 s ARG 130 Cb -0.10 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 3dg3 s ARG 130 CO 0.02 -0.13 -0.06 0.08 0.02 0.00 0.00 175.30 175.23 3dg3 s VAL 131 N -2.00 3.79 0.25 3.52 1.01 0.45 -0.55 120.40 126.87 3dg3 s VAL 131 Ca 0.62 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.25 3dg3 s VAL 131 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3dg3 s VAL 131 CO 0.18 0.60 -0.04 -0.94 0.00 0.00 0.00 175.10 174.90 3dg3 s SER 132 N -0.79 4.41 -0.02 3.32 1.04 -0.36 -4.12 113.70 117.18 3dg3 s SER 132 Ca 0.12 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.92 3dg3 s SER 132 Cb -0.11 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 3dg3 s SER 132 CO 0.02 0.02 -0.13 -2.28 0.98 0.00 0.00 173.24 171.85 3dg3 s HIS 133 N -2.24 1.21 -0.05 5.02 5.04 -0.18 -3.66 115.29 120.43 3dg3 s HIS 133 Ca 0.30 -0.25 -0.01 0.00 -1.54 0.00 0.00 55.06 53.56 3dg3 s HIS 133 Cb -0.07 -0.79 -0.03 0.00 0.04 0.00 0.00 32.58 31.72 3dg3 s HIS 133 CO 0.19 -0.04 0.00 0.00 -2.34 0.00 0.00 174.74 172.55 3dg3 s MET 134 N -0.21 2.92 0.23 2.88 0.23 -1.26 -0.62 119.30 123.46 3dg3 s MET 134 Ca 0.03 -0.48 -0.16 0.00 -1.03 0.00 0.00 55.69 54.05 3dg3 s MET 134 Cb -0.06 -2.75 0.02 0.00 -1.53 0.00 0.00 34.83 30.50 3dg3 s MET 134 CO -0.00 0.67 0.54 -0.48 -2.03 0.00 0.00 175.02 173.72 3dg3 s LEU 135 N -1.13 0.11 0.00 0.18 0.05 -0.70 -4.95 118.68 112.23 3dg3 s LEU 135 Ca 0.16 -0.65 0.00 0.00 0.05 0.00 0.00 54.13 53.68 3dg3 s LEU 135 Cb -0.11 2.12 0.00 0.00 -2.05 0.00 0.00 46.19 46.14 3dg3 s LEU 135 CO 0.05 -1.13 0.00 0.61 -0.55 0.00 0.00 176.35 175.33 3dg3 n GLY 136 N -0.37 -0.53 2.54 -3.48 0.00 -1.26 -0.24 105.19 101.85 3dg3 n GLY 136 Ca -0.06 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 3dg3 n GLY 136 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dg3 n PHE 137 N 1.98 -1.26 -3.97 1.61 0.99 -1.26 -4.94 117.46 110.61 3dg3 n PHE 137 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 57.45 57.68 3dg3 n PHE 137 Cb 0.00 -3.17 -0.01 0.00 -1.00 0.00 0.00 39.48 35.30 3dg3 n PHE 137 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3dg3 s ASP 138 N -2.87 0.52 0.47 4.37 -1.08 -1.26 -5.15 116.67 111.66 3dg3 s ASP 138 Ca 0.21 -1.33 -0.24 0.00 -0.52 0.00 0.00 52.55 50.67 3dg3 s ASP 138 Cb -0.09 0.74 -0.07 0.00 -1.46 0.00 0.00 42.92 42.04 3dg3 s ASP 138 CO 0.25 -1.46 1.28 -1.81 0.52 0.00 0.00 175.17 173.95 3dg3 s ASP 139 N -3.16 5.92 0.25 -0.34 -0.00 -1.26 -4.82 116.67 113.25 3dg3 s ASP 139 Ca 0.24 2.58 -0.03 0.00 -0.00 0.00 0.00 52.55 55.34 3dg3 s ASP 139 Cb -0.02 -2.63 0.49 0.00 -0.00 0.00 0.00 42.92 40.76 3dg3 s ASP 139 CO 0.16 -1.11 1.74 -0.65 -0.00 0.00 0.00 175.17 175.31 3dg3 h PRO 140 N 2.07 0.51 -0.72 8.23 0.11 -1.91 -0.41 132.00 139.87 3dg3 h PRO 140 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dg3 h PRO 140 Cb 1.26 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3dg3 h PRO 140 CO 0.60 0.33 0.47 -0.39 -0.21 0.00 0.00 178.00 178.80 3dg3 h VAL 141 N 0.52 1.19 -0.22 3.15 -1.51 -1.95 0.20 116.25 117.62 3dg3 h VAL 141 Ca 0.43 -0.36 -0.14 0.00 -1.23 0.00 0.00 66.70 65.40 3dg3 h VAL 141 Cb 0.63 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 3dg3 h VAL 141 CO -0.38 0.19 -0.43 0.11 -1.23 0.00 0.00 177.57 175.82 3dg3 h LYS 142 N 0.98 0.55 -0.48 5.19 1.57 -1.68 -1.87 116.57 120.82 3dg3 h LYS 142 Ca 0.26 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3dg3 h LYS 142 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3dg3 h LYS 142 CO -0.05 0.88 -0.16 0.52 -0.57 0.00 0.00 179.45 180.07 3dg3 h MET 143 N 0.45 0.93 -0.51 3.15 2.86 -0.64 -0.84 114.93 120.33 3dg3 h MET 143 Ca 0.03 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 3dg3 h MET 143 Cb 0.94 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3dg3 h MET 143 CO 0.08 1.02 0.11 0.28 1.06 0.00 0.00 176.91 179.46 3dg3 h VAL 144 N 0.82 1.25 -0.75 -2.22 2.07 -0.85 -1.04 116.25 115.52 3dg3 h VAL 144 Ca 0.12 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3dg3 h VAL 144 Cb 0.71 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3dg3 h VAL 144 CO 0.05 0.32 0.45 0.00 0.02 0.00 0.00 177.57 178.42 3dg3 h ALA 145 N 0.99 0.96 -0.49 1.67 0.00 -1.06 -0.78 119.26 120.55 3dg3 h ALA 145 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dg3 h ALA 145 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dg3 h ALA 145 CO 0.01 0.43 0.00 1.49 0.00 0.00 0.00 179.25 181.18 3dg3 h GLU 146 N 1.03 0.87 -0.60 0.00 4.81 -0.91 -1.65 114.58 118.14 3dg3 h GLU 146 Ca 0.27 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3dg3 h GLU 146 Cb -0.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3dg3 h GLU 146 CO -0.05 0.91 0.28 0.00 -0.73 0.00 0.00 179.01 179.42 3dg3 h ALA 147 N 0.93 0.77 -0.51 2.92 0.00 -0.83 0.34 119.26 122.88 3dg3 h ALA 147 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dg3 h ALA 147 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dg3 h ALA 147 CO 0.03 0.34 0.29 0.93 0.00 0.00 0.00 179.25 180.83 3dg3 h GLU 148 N 0.81 0.70 0.06 0.00 5.08 -1.01 0.16 114.58 120.39 3dg3 h GLU 148 Ca 0.20 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3dg3 h GLU 148 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3dg3 h GLU 148 CO -0.02 0.53 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.40 3dg3 h ARG 149 N 0.68 -0.07 -0.59 2.33 2.43 -0.90 0.35 114.38 118.60 3dg3 h ARG 149 Ca 0.18 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3dg3 h ARG 149 Cb 0.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3dg3 h ARG 149 CO -0.03 0.04 0.36 0.82 -1.51 0.00 0.00 179.97 179.65 3dg3 h ILE 150 N -0.17 1.17 -0.38 1.20 1.08 -0.80 0.19 117.51 119.79 3dg3 h ILE 150 Ca -0.01 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 3dg3 h ILE 150 Cb 0.15 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3dg3 h ILE 150 CO 0.01 0.18 0.01 -0.09 -0.69 0.00 0.00 178.15 177.57 3dg3 h ARG 151 N 0.80 0.67 -0.20 2.37 2.43 -0.86 -0.20 114.38 119.38 3dg3 h ARG 151 Ca 0.21 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3dg3 h ARG 151 Cb -0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3dg3 h ARG 151 CO -0.04 0.76 -0.51 0.93 -1.51 0.00 0.00 179.97 179.60 3dg3 h GLU 152 N 0.49 0.56 -0.01 0.20 4.39 -0.74 0.28 114.58 119.75 3dg3 h GLU 152 Ca 0.11 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 3dg3 h GLU 152 Cb 0.45 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3dg3 h GLU 152 CO 0.02 0.94 -0.23 1.15 -1.16 0.00 0.00 179.01 179.72 3dg3 h THR 153 N 0.44 1.53 -0.00 1.13 2.02 -0.57 -3.39 112.91 114.07 3dg3 h THR 153 Ca 0.02 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.31 3dg3 h THR 153 Cb 1.04 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3dg3 h THR 153 CO 0.10 0.52 -0.47 -1.22 0.37 0.00 0.00 175.52 174.81 3dg3 n TYR 154 N -4.52 0.00 -0.89 3.16 4.01 -0.09 -4.94 117.16 113.88 3dg3 n TYR 154 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3dg3 n TYR 154 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3dg3 n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dg3 n GLY 155 N 1.21 0.63 3.70 2.72 0.00 0.97 -0.04 105.19 114.38 3dg3 n GLY 155 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3dg3 n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dg3 s ILE 156 N -2.34 2.79 -0.49 -0.61 1.01 -1.25 -2.59 121.20 117.73 3dg3 s ILE 156 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.09 3dg3 s ILE 156 Cb 0.00 -3.25 0.10 0.00 0.01 0.00 0.00 42.46 39.32 3dg3 s ILE 156 CO 0.00 0.01 0.95 0.59 0.00 0.00 0.00 174.94 176.49 3dg3 n ASN 157 N 5.01 2.05 -4.02 3.58 5.03 -1.26 -4.27 115.26 121.38 3dg3 n ASN 157 Ca 0.15 -1.71 -0.28 0.00 0.87 0.00 0.00 54.58 53.61 3dg3 n ASN 157 Cb 0.39 -0.07 -0.17 0.00 -1.02 0.00 0.00 39.78 38.92 3dg3 n ASN 157 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3dg3 s THR 158 N -0.79 1.43 -0.07 3.41 2.01 -1.26 -0.88 115.64 119.48 3dg3 s THR 158 Ca 0.09 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.55 3dg3 s THR 158 Cb 0.05 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.23 3dg3 s THR 158 CO 0.07 0.43 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.87 3dg3 s PHE 159 N 1.20 2.11 -0.25 4.92 0.08 -0.29 -1.01 117.98 124.74 3dg3 s PHE 159 Ca -0.02 -0.76 -0.06 0.00 0.12 0.00 0.00 56.93 56.21 3dg3 s PHE 159 Cb -0.14 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3dg3 s PHE 159 CO -0.05 -0.30 0.04 0.21 -0.10 0.00 0.00 175.22 175.03 3dg3 s LYS 160 N 0.26 3.43 -0.18 0.44 2.20 0.20 -2.49 119.74 123.61 3dg3 s LYS 160 Ca -0.12 -0.62 -0.21 0.00 -0.36 0.00 0.00 55.97 54.66 3dg3 s LYS 160 Cb -0.15 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 3dg3 s LYS 160 CO 0.05 -0.26 0.65 0.08 -0.36 0.00 0.00 175.35 175.51 3dg3 s VAL 161 N 1.55 5.02 -0.04 4.02 1.01 0.18 -1.73 120.40 130.41 3dg3 s VAL 161 Ca 0.05 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3dg3 s VAL 161 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3dg3 s VAL 161 CO 0.02 0.13 1.02 -0.54 0.00 0.00 0.00 175.10 175.73 3dg3 s LYS 162 N 1.74 4.49 0.38 2.72 -0.14 0.67 -1.78 119.74 127.82 3dg3 s LYS 162 Ca 0.30 1.45 0.03 0.00 -1.36 0.00 0.00 55.97 56.39 3dg3 s LYS 162 Cb -0.16 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.49 3dg3 s LYS 162 CO 0.11 -0.18 0.10 1.33 -0.76 0.00 0.00 175.35 175.94 3dg3 n VAL 163 N 4.18 0.00 0.00 3.17 0.24 0.21 -4.08 118.33 122.04 3dg3 n VAL 163 Ca 0.08 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 3dg3 n VAL 163 Cb 0.50 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3dg3 n VAL 163 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dg3 n GLY 164 N -0.38 -0.08 3.92 7.63 0.00 -1.26 -4.28 105.19 110.74 3dg3 n GLY 164 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3dg3 n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dg3 s ARG 165 N 0.00 3.36 -0.04 1.61 0.52 -1.26 -4.46 118.95 118.68 3dg3 s ARG 165 Ca 0.00 0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.31 3dg3 s ARG 165 Cb 0.00 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 33.08 3dg3 s ARG 165 CO 0.00 -0.29 -0.16 1.03 0.02 0.00 0.00 175.30 175.90 3dg3 s ARG 166 N -4.75 1.70 0.71 3.54 0.52 -1.26 -3.47 118.95 115.94 3dg3 s ARG 166 Ca 0.48 -0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 3dg3 s ARG 166 Cb -0.10 -1.48 0.03 0.00 0.52 0.00 0.00 34.95 33.91 3dg3 s ARG 166 CO 0.44 0.22 1.14 -2.14 0.02 0.00 0.00 175.30 174.98 3dg3 s PRO 167 N 0.07 2.43 0.62 3.54 0.02 -1.26 -4.99 135.00 135.43 3dg3 s PRO 167 Ca -0.04 1.48 0.35 0.00 0.02 0.00 0.00 61.00 62.81 3dg3 s PRO 167 Cb -0.11 -1.90 2.05 0.00 0.02 0.00 0.00 34.50 34.56 3dg3 s PRO 167 CO 0.02 -1.55 2.30 -0.39 -0.33 0.00 0.00 177.00 177.05 3dg3 h VAL 168 N -0.32 0.33 -0.16 3.83 -1.51 -1.94 -2.04 116.25 114.43 3dg3 h VAL 168 Ca -0.46 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.05 3dg3 h VAL 168 Cb 1.26 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3dg3 h VAL 168 CO 0.52 0.00 0.16 1.56 -1.23 0.00 0.00 177.57 178.57 3dg3 h GLN 169 N 0.00 0.00 -0.47 5.19 7.50 -1.97 -0.84 115.11 124.53 3dg3 h GLN 169 Ca 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 3dg3 h GLN 169 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 3dg3 h GLN 169 CO -0.00 0.00 0.08 -0.07 -1.50 0.00 0.00 178.83 177.34 3dg3 h LEU 170 N 0.00 0.68 0.10 1.46 4.07 -1.70 -1.68 115.31 118.24 3dg3 h LEU 170 Ca 0.08 -0.12 -0.34 0.00 0.08 0.00 0.00 57.88 57.57 3dg3 h LEU 170 Cb 0.39 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 3dg3 h LEU 170 CO -0.00 0.70 -1.87 0.44 -1.08 0.00 0.00 178.44 176.63 3dg3 h ASP 171 N 0.70 0.32 0.34 -0.43 3.32 -1.39 -3.31 116.42 115.97 3dg3 h ASP 171 Ca 0.15 -0.68 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 3dg3 h ASP 171 Cb 0.31 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3dg3 h ASP 171 CO 0.00 1.60 -0.16 0.71 -1.72 0.00 0.00 179.24 179.67 3dg3 h THR 172 N 0.06 0.76 -0.23 0.35 1.35 -1.25 -1.61 112.91 112.34 3dg3 h THR 172 Ca -0.37 -0.65 -0.14 0.00 -0.55 0.00 0.00 66.41 64.70 3dg3 h THR 172 Cb 2.03 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 3dg3 h THR 172 CO 0.10 0.16 -0.45 0.00 -0.25 0.00 0.00 175.52 175.08 3dg3 h ALA 173 N 1.84 0.79 -0.15 6.62 0.00 -1.43 -1.61 119.26 125.32 3dg3 h ALA 173 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3dg3 h ALA 173 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dg3 h ALA 173 CO 0.02 0.66 -0.05 0.28 0.00 0.00 0.00 179.25 180.16 3dg3 h VAL 174 N 0.47 1.30 -0.63 0.00 2.07 -1.40 -1.76 116.25 116.30 3dg3 h VAL 174 Ca 0.03 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3dg3 h VAL 174 Cb 0.96 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3dg3 h VAL 174 CO 0.09 0.30 0.28 0.58 0.02 0.00 0.00 177.57 178.84 3dg3 h VAL 175 N -0.02 1.23 -0.72 2.57 2.07 -1.37 -2.33 116.25 117.67 3dg3 h VAL 175 Ca 0.04 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3dg3 h VAL 175 Cb 0.49 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3dg3 h VAL 175 CO 0.02 0.27 0.27 -0.09 0.02 0.00 0.00 177.57 178.06 3dg3 h ARG 176 N 0.87 1.10 -0.83 1.57 2.43 -1.27 -1.95 114.38 116.29 3dg3 h ARG 176 Ca 0.21 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3dg3 h ARG 176 Cb 0.16 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3dg3 h ARG 176 CO -0.02 0.91 0.47 0.00 -1.51 0.00 0.00 179.97 179.82 3dg3 h ALA 177 N 1.13 1.26 -0.39 2.80 0.00 -1.05 -0.35 119.26 122.65 3dg3 h ALA 177 Ca 0.24 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3dg3 h ALA 177 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dg3 h ALA 177 CO -0.02 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.72 3dg3 h LEU 178 N 1.16 0.73 -0.73 0.00 3.38 -1.06 -2.10 115.31 116.69 3dg3 h LEU 178 Ca 0.30 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3dg3 h LEU 178 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3dg3 h LEU 178 CO -0.05 0.90 -0.14 -0.09 0.09 0.00 0.00 178.44 179.15 3dg3 h ARG 179 N 0.55 0.82 -0.35 1.13 9.65 -1.02 -2.05 114.38 123.11 3dg3 h ARG 179 Ca 0.10 -0.29 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 3dg3 h ARG 179 Cb 0.56 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 3dg3 h ARG 179 CO 0.03 0.91 -0.11 0.93 2.80 0.00 0.00 179.97 184.54 3dg3 h GLU 180 N 0.73 0.60 -0.00 0.20 5.08 -0.96 0.33 114.58 120.57 3dg3 h GLU 180 Ca 0.12 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3dg3 h GLU 180 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3dg3 h GLU 180 CO 0.05 0.71 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.67 3dg3 h ARG 181 N 0.56 0.00 0.00 2.33 9.65 -1.18 -3.37 114.38 122.37 3dg3 h ARG 181 Ca 0.10 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3dg3 h ARG 181 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3dg3 h ARG 181 CO 0.03 0.65 -1.39 1.19 2.80 0.00 0.00 179.97 183.25 3dg3 n PHE 182 N -4.77 0.32 -4.81 2.20 3.72 -0.79 -5.06 117.46 108.27 3dg3 n PHE 182 Ca -0.09 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3dg3 n PHE 182 Cb 0.32 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3dg3 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dg3 n GLY 183 N 1.29 2.32 0.29 1.37 0.00 0.12 -1.99 105.19 108.58 3dg3 n GLY 183 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.54 3dg3 n GLY 183 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dg3 n ASP 184 N 1.16 0.83 0.20 1.61 5.75 -1.26 -3.92 116.55 120.92 3dg3 n ASP 184 Ca 0.00 -2.00 0.14 0.00 -0.01 0.00 0.00 54.79 52.92 3dg3 n ASP 184 Cb 0.00 -0.11 0.52 0.00 -1.03 0.00 0.00 41.12 40.51 3dg3 n ASP 184 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dg3 h ALA 185 N 3.28 1.00 -2.21 2.12 0.00 -1.80 -3.45 119.26 118.20 3dg3 h ALA 185 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 3dg3 h ALA 185 Cb 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 3dg3 h ALA 185 CO 0.00 0.00 -0.69 0.96 0.00 0.00 0.00 179.25 179.52 3dg3 s ILE 186 N -3.43 1.23 -0.04 0.00 -4.36 -1.25 -4.96 121.20 108.40 3dg3 s ILE 186 Ca 0.04 -2.08 -0.03 0.00 -0.26 0.00 0.00 60.65 58.32 3dg3 s ILE 186 Cb 0.09 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 3dg3 s ILE 186 CO 0.51 -0.55 0.16 -1.61 0.24 0.00 0.00 174.94 173.69 3dg3 s GLU 187 N -3.77 3.39 0.01 0.37 2.02 -0.06 -4.99 118.70 115.67 3dg3 s GLU 187 Ca 0.22 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.93 3dg3 s GLU 187 Cb 0.03 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 3dg3 s GLU 187 CO 0.05 0.70 -0.04 -0.51 0.02 0.00 0.00 175.26 175.48 3dg3 s LEU 188 N -1.68 2.13 0.28 1.80 1.43 -1.26 -1.14 118.68 120.24 3dg3 s LEU 188 Ca 0.24 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3dg3 s LEU 188 Cb -0.12 -0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.04 3dg3 s LEU 188 CO 0.14 -0.12 0.65 -0.72 0.23 0.00 0.00 176.35 176.54 3dg3 s TYR 189 N -0.77 -0.01 0.13 0.29 -0.85 -1.04 -1.24 117.35 113.87 3dg3 s TYR 189 Ca -0.06 -0.43 0.07 0.00 -0.52 0.00 0.00 57.07 56.12 3dg3 s TYR 189 Cb -0.06 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 3dg3 s TYR 189 CO -0.00 -1.18 -0.16 0.14 -1.52 0.00 0.00 175.55 172.83 3dg3 s VAL 190 N -3.87 1.50 -0.08 -3.49 -7.23 -1.13 -0.65 120.40 105.45 3dg3 s VAL 190 Ca 0.15 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3dg3 s VAL 190 Cb -0.04 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.31 3dg3 s VAL 190 CO 0.08 -0.36 0.04 -0.62 -0.31 0.00 0.00 175.10 173.92 3dg3 s ASP 191 N -2.47 1.61 0.00 4.85 -1.08 -0.73 -0.32 116.67 118.53 3dg3 s ASP 191 Ca 0.11 -0.14 0.24 0.00 -0.52 0.00 0.00 52.55 52.24 3dg3 s ASP 191 Cb -0.06 -0.32 0.38 0.00 -1.46 0.00 0.00 42.92 41.47 3dg3 s ASP 191 CO 0.04 -0.24 1.33 0.61 0.52 0.00 0.00 175.17 177.43 3dg3 n GLY 192 N 5.21 -0.99 4.13 2.66 0.00 -0.10 -0.62 105.19 115.49 3dg3 n GLY 192 Ca -0.06 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3dg3 n GLY 192 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dg3 n ASN 193 N -1.23 -3.23 -0.84 1.61 4.13 -0.98 -0.35 115.26 114.37 3dg3 n ASN 193 Ca 0.07 -0.96 -0.11 0.00 1.68 0.00 0.00 54.58 55.25 3dg3 n ASN 193 Cb 0.35 -3.03 -0.05 0.00 -1.54 0.00 0.00 39.78 35.51 3dg3 n ASN 193 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3dg3 n ARG 194 N -4.45 -1.46 0.16 3.52 1.74 0.56 -4.90 116.66 111.84 3dg3 n ARG 194 Ca 0.02 0.86 0.02 0.00 -0.77 0.00 0.00 57.85 57.98 3dg3 n ARG 194 Cb 0.52 -5.15 0.25 0.00 -1.02 0.00 0.00 32.46 27.07 3dg3 n ARG 194 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3dg3 h GLY 195 N 0.00 0.00 -3.00 -0.13 0.00 -0.71 -3.34 103.07 95.88 3dg3 h GLY 195 Ca -0.22 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.64 3dg3 h GLY 195 CO 0.33 0.00 -0.42 -0.98 0.00 0.00 0.00 176.54 175.47 3dg3 s TRP 196 N -3.63 3.28 0.71 5.60 0.51 -0.86 -4.88 118.94 119.68 3dg3 s TRP 196 Ca -0.01 -0.10 -0.10 0.00 -2.12 0.00 0.00 56.10 53.77 3dg3 s TRP 196 Cb 0.12 -1.68 0.04 0.00 -0.81 0.00 0.00 33.47 31.14 3dg3 s TRP 196 CO 0.73 0.31 1.08 -1.54 -0.51 0.00 0.00 176.95 177.01 3dg3 s SER 197 N -4.02 5.13 0.24 2.95 1.04 -1.26 -4.00 113.70 113.78 3dg3 s SER 197 Ca 0.37 0.87 -0.06 0.00 0.48 0.00 0.00 55.95 57.62 3dg3 s SER 197 Cb -0.09 -1.60 0.23 0.00 0.10 0.00 0.00 66.02 64.66 3dg3 s SER 197 CO 0.29 -1.48 1.82 0.00 0.98 0.00 0.00 173.24 174.85 3dg3 h ALA 198 N -0.68 1.13 -0.57 5.32 0.00 -1.92 -1.02 119.26 121.53 3dg3 h ALA 198 Ca -0.45 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3dg3 h ALA 198 Cb 1.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3dg3 h ALA 198 CO 0.63 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.73 3dg3 h ALA 199 N 1.25 0.74 -0.61 0.00 0.00 -1.92 -1.44 119.26 117.28 3dg3 h ALA 199 Ca 0.27 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3dg3 h ALA 199 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dg3 h ALA 199 CO -0.03 0.37 0.02 0.93 0.00 0.00 0.00 179.25 180.55 3dg3 h GLU 200 N 0.78 1.05 -0.55 0.00 5.08 -1.87 -2.57 114.58 116.50 3dg3 h GLU 200 Ca 0.19 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3dg3 h GLU 200 Cb 0.24 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3dg3 h GLU 200 CO -0.01 1.01 0.34 0.77 -1.00 0.00 0.00 179.01 180.11 3dg3 h SER 201 N 0.96 0.55 -0.38 1.42 0.02 -0.81 -0.79 113.55 114.53 3dg3 h SER 201 Ca 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3dg3 h SER 201 Cb 0.52 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3dg3 h SER 201 CO 0.03 0.39 0.11 0.25 -1.14 0.00 0.00 176.83 176.47 3dg3 h LEU 202 N 0.67 0.55 -0.87 5.07 5.85 -1.12 -1.22 115.31 124.25 3dg3 h LEU 202 Ca 0.22 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3dg3 h LEU 202 Cb 0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3dg3 h LEU 202 CO -0.09 0.62 0.56 0.03 -0.34 0.00 0.00 178.44 179.21 3dg3 h ARG 203 N 0.46 1.16 -0.26 1.25 3.08 -1.16 0.03 114.38 118.95 3dg3 h ARG 203 Ca 0.12 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3dg3 h ARG 203 Cb 0.26 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3dg3 h ARG 203 CO -0.00 0.79 0.06 0.00 -1.07 0.00 0.00 179.97 179.75 3dg3 h ALA 204 N 1.30 0.34 -0.50 0.04 0.00 -0.92 -1.66 119.26 117.86 3dg3 h ALA 204 Ca 0.32 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3dg3 h ALA 204 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dg3 h ALA 204 CO -0.06 -0.01 -0.04 0.52 0.00 0.00 0.00 179.25 179.65 3dg3 h MET 205 N 0.24 0.88 -0.77 0.00 2.86 -0.93 -2.10 114.93 115.12 3dg3 h MET 205 Ca 0.08 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3dg3 h MET 205 Cb 0.28 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3dg3 h MET 205 CO 0.00 0.90 0.37 0.00 1.06 0.00 0.00 176.91 179.25 3dg3 h ARG 206 N 0.81 1.10 -0.01 1.72 2.47 -0.87 -0.71 114.38 118.89 3dg3 h ARG 206 Ca 0.14 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3dg3 h ARG 206 Cb 0.54 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3dg3 h ARG 206 CO 0.03 0.86 -0.17 1.49 0.56 0.00 0.00 179.97 182.74 3dg3 h GLU 207 N 1.08 0.02 -0.58 0.04 4.81 -0.93 -2.16 114.58 116.86 3dg3 h GLU 207 Ca 0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3dg3 h GLU 207 Cb 0.11 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3dg3 h GLU 207 CO -0.03 0.19 0.00 -1.33 -0.73 0.00 0.00 179.01 177.10 3dg3 n MET 208 N -4.33 4.17 0.30 1.92 2.81 -0.68 -4.59 117.12 116.72 3dg3 n MET 208 Ca -0.02 -3.00 0.19 0.00 -1.81 0.00 0.00 57.70 53.06 3dg3 n MET 208 Cb 0.24 -2.04 0.98 0.00 -0.71 0.00 0.00 33.22 31.69 3dg3 n MET 208 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dg3 h ALA 209 N 3.83 1.36 -0.34 3.04 0.00 -0.47 -0.90 119.26 125.77 3dg3 h ALA 209 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dg3 h ALA 209 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3dg3 h ALA 209 CO 0.34 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 3dg3 n ASP 210 N -3.30 3.10 -1.06 0.00 5.75 -1.26 -4.32 116.55 115.46 3dg3 n ASP 210 Ca -0.01 -1.94 0.11 0.00 -0.01 0.00 0.00 54.79 52.94 3dg3 n ASP 210 Cb 0.23 -0.22 0.25 0.00 -1.03 0.00 0.00 41.12 40.35 3dg3 n ASP 210 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3dg3 n LEU 211 N 1.26 3.15 -3.88 -2.12 4.77 -0.34 -4.99 117.00 114.84 3dg3 n LEU 211 Ca 0.19 -1.39 -0.29 0.00 -0.03 0.00 0.00 56.01 54.49 3dg3 n LEU 211 Cb 0.55 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3dg3 n LEU 211 CO 0.15 0.70 -0.18 -0.67 -1.33 0.00 0.00 177.39 176.06 3dg3 n ASP 212 N 1.27 -2.07 -4.71 -1.43 2.03 -1.26 -4.92 116.55 105.46 3dg3 n ASP 212 Ca 0.19 -1.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.05 3dg3 n ASP 212 Cb 0.55 -3.05 -0.03 0.00 -0.72 0.00 0.00 41.12 37.87 3dg3 n ASP 212 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dg3 s LEU 213 N -6.85 4.37 0.22 -2.67 1.43 -1.26 -4.66 118.68 109.26 3dg3 s LEU 213 Ca 0.18 2.05 0.11 0.00 -1.03 0.00 0.00 54.13 55.43 3dg3 s LEU 213 Cb -0.07 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.68 3dg3 s LEU 213 CO 0.89 -0.48 1.46 -0.07 0.23 0.00 0.00 176.35 178.37 3dg3 h LEU 214 N 6.77 0.00 -7.73 1.79 3.38 -1.53 -3.46 115.31 114.54 3dg3 h LEU 214 Ca -0.42 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 3dg3 h LEU 214 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 3dg3 h LEU 214 CO 0.82 0.74 -0.33 -0.36 0.09 0.00 0.00 178.44 179.40 3dg3 s PHE 215 N -3.14 0.08 -0.13 1.13 0.08 -1.26 -4.20 117.98 110.54 3dg3 s PHE 215 Ca 0.01 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.61 3dg3 s PHE 215 Cb 0.11 -0.00 0.02 0.00 -0.57 0.00 0.00 43.02 42.57 3dg3 s PHE 215 CO 0.78 -0.55 -0.13 0.00 -0.10 0.00 0.00 175.22 175.22 3dg3 s ALA 216 N -3.62 1.68 -0.18 5.36 0.00 -0.87 -2.83 121.76 121.30 3dg3 s ALA 216 Ca 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3dg3 s ALA 216 Cb 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 3dg3 s ALA 216 CO -0.10 -0.33 -0.12 -2.00 0.00 0.00 0.00 175.76 173.21 3dg3 s GLU 217 N 1.45 3.27 -1.15 0.00 2.12 0.57 -0.11 118.70 124.84 3dg3 s GLU 217 Ca 0.03 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 3dg3 s GLU 217 Cb -0.13 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.53 3dg3 s GLU 217 CO -0.08 -0.05 0.17 0.39 -0.54 0.00 0.00 175.26 175.15 3dg3 n GLU 218 N 4.28 -0.77 -0.32 4.30 -0.58 -0.65 -0.92 120.64 125.98 3dg3 n GLU 218 Ca -0.19 0.03 -0.04 0.00 -0.42 0.00 0.00 57.16 56.54 3dg3 n GLU 218 Cb 0.51 -2.50 0.08 0.00 -0.57 0.00 0.00 31.44 28.97 3dg3 n GLU 218 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3dg3 h LEU 219 N -1.30 1.05 -9.23 -4.62 3.38 -1.88 0.17 115.31 102.87 3dg3 h LEU 219 Ca -0.54 -0.07 -0.47 0.00 0.09 0.00 0.00 57.88 56.89 3dg3 h LEU 219 Cb 1.11 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 3dg3 h LEU 219 CO 0.52 0.81 -0.61 0.00 0.09 0.00 0.00 178.44 179.25 3dg3 s PRO 221 N -3.89 4.24 0.51 0.00 0.02 -1.26 -4.48 135.00 130.15 3dg3 s PRO 221 Ca 0.37 2.34 0.29 0.00 0.02 0.00 0.00 61.00 64.02 3dg3 s PRO 221 Cb 0.09 -3.11 1.27 0.00 0.02 0.00 0.00 34.50 32.76 3dg3 s PRO 221 CO 0.16 -0.49 1.96 0.00 -0.33 0.00 0.00 177.00 178.30 3dg3 h ALA 222 N 5.45 1.06 0.00 -1.55 0.00 -1.96 -2.20 119.26 120.07 3dg3 h ALA 222 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dg3 h ALA 222 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dg3 h ALA 222 CO 0.81 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.95 3dg3 n ASP 223 N -3.32 0.00 -3.68 0.00 8.00 -1.26 -3.04 116.55 113.25 3dg3 n ASP 223 Ca -0.00 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 3dg3 n ASP 223 Cb 0.33 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3dg3 n ASP 223 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dg3 n ASP 224 N -1.33 6.72 -0.14 -2.24 9.92 -0.83 -4.87 116.55 123.78 3dg3 n ASP 224 Ca 0.10 -3.19 -0.04 0.00 -0.53 0.00 0.00 54.79 51.13 3dg3 n ASP 224 Cb 0.21 -1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 39.27 3dg3 n ASP 224 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3dg3 n VAL 225 N 2.19 -0.23 -0.15 2.53 0.31 -1.17 -0.81 118.33 120.99 3dg3 n VAL 225 Ca 0.50 1.66 -0.09 0.00 -0.01 0.00 0.00 64.34 66.40 3dg3 n VAL 225 Cb 0.30 -2.14 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 3dg3 n VAL 225 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dg3 h LEU 226 N 0.00 0.94 -0.93 7.52 3.38 -1.89 -1.95 115.31 122.38 3dg3 h LEU 226 Ca 0.05 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3dg3 h LEU 226 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dg3 h LEU 226 CO -0.32 1.06 -0.46 0.77 0.09 0.00 0.00 178.44 179.58 3dg3 h SER 227 N 0.85 0.18 -0.30 -0.43 4.64 -1.92 -1.71 113.55 114.87 3dg3 h SER 227 Ca 0.13 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3dg3 h SER 227 Cb 0.65 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3dg3 h SER 227 CO 0.05 0.62 0.09 -0.09 -0.87 0.00 0.00 176.83 176.62 3dg3 h ARG 228 N 0.14 0.46 -0.81 4.77 9.65 -0.76 -1.24 114.38 126.59 3dg3 h ARG 228 Ca 0.01 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3dg3 h ARG 228 Cb 0.87 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 3dg3 h ARG 228 CO 0.07 0.52 0.37 0.00 2.80 0.00 0.00 179.97 183.72 3dg3 h ARG 229 N 0.32 1.17 -0.35 0.20 3.08 -1.08 -1.08 114.38 116.65 3dg3 h ARG 229 Ca 0.10 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3dg3 h ARG 229 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3dg3 h ARG 229 CO -0.00 0.92 0.13 -0.09 -1.07 0.00 0.00 179.97 179.86 3dg3 h ARG 230 N 1.16 0.52 -0.06 0.04 2.43 -1.08 -2.37 114.38 115.01 3dg3 h ARG 230 Ca 0.28 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3dg3 h ARG 230 Cb 0.15 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3dg3 h ARG 230 CO -0.03 0.51 -0.01 1.25 -1.51 0.00 0.00 179.97 180.18 3dg3 h LEU 231 N 0.41 -0.04 -1.17 3.80 5.85 -0.91 -2.35 115.31 120.90 3dg3 h LEU 231 Ca 0.11 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.95 3dg3 h LEU 231 Cb 0.19 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3dg3 h LEU 231 CO -0.01 -0.01 0.59 0.58 -0.34 0.00 0.00 178.44 179.25 3dg3 h VAL 232 N 0.01 0.96 0.00 1.05 2.07 -1.09 -0.29 116.25 118.95 3dg3 h VAL 232 Ca 0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dg3 h VAL 232 Cb 0.04 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3dg3 h VAL 232 CO -0.05 0.16 0.00 1.23 0.02 0.00 0.00 177.57 178.93 3dg3 h GLY 233 N 0.90 0.00 1.01 2.17 0.00 -1.00 -3.12 103.07 103.03 3dg3 h GLY 233 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3dg3 h GLY 233 CO -0.19 0.00 -0.95 1.46 0.00 0.00 0.00 176.54 176.86 3dg3 h GLN 234 N 0.00 0.00 -6.29 4.80 4.20 -0.54 -3.47 115.11 113.80 3dg3 h GLN 234 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3dg3 h GLN 234 Cb 0.56 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3dg3 h GLN 234 CO 0.00 0.00 0.03 -0.51 -0.67 0.00 0.00 178.83 177.68 3dg3 s LEU 235 N -5.20 4.53 0.00 1.46 1.43 -1.03 -5.01 118.68 114.87 3dg3 s LEU 235 Ca 0.00 1.35 -0.24 0.00 -1.03 0.00 0.00 54.13 54.21 3dg3 s LEU 235 Cb 0.10 -3.01 -0.16 0.00 0.03 0.00 0.00 46.19 43.16 3dg3 s LEU 235 CO 0.78 0.24 1.16 0.44 0.23 0.00 0.00 176.35 179.19 3dg3 h ASP 236 N 4.62 -0.40 -4.27 2.29 5.19 -1.91 -3.46 116.42 118.48 3dg3 h ASP 236 Ca -0.48 -0.16 -0.49 0.00 -0.62 0.00 0.00 57.03 55.27 3dg3 h ASP 236 Cb 1.21 0.10 0.11 0.00 0.18 0.00 0.00 39.33 40.94 3dg3 h ASP 236 CO 0.65 -0.01 0.33 0.00 -3.12 0.00 0.00 179.24 177.09 3dg3 s MET 237 N -4.49 2.18 0.50 3.56 0.23 -1.26 -5.00 119.30 115.02 3dg3 s MET 237 Ca -0.14 0.78 -0.22 0.00 -1.03 0.00 0.00 55.69 55.08 3dg3 s MET 237 Cb 0.02 -1.92 -0.06 0.00 -1.53 0.00 0.00 34.83 31.34 3dg3 s MET 237 CO 0.51 -1.59 1.24 -2.14 -2.03 0.00 0.00 175.02 171.00 3dg3 s PRO 238 N -5.08 3.50 -0.36 3.16 0.02 -1.26 -4.81 135.00 130.17 3dg3 s PRO 238 Ca 0.61 1.94 -0.08 0.00 0.02 0.00 0.00 61.00 63.49 3dg3 s PRO 238 Cb -0.15 -2.33 0.04 0.00 0.02 0.00 0.00 34.50 32.08 3dg3 s PRO 238 CO 0.55 -0.81 0.15 0.12 -0.33 0.00 0.00 177.00 176.68 3dg3 s PHE 239 N -1.46 3.27 -0.05 6.54 5.36 -1.26 -2.06 117.98 128.32 3dg3 s PHE 239 Ca 0.67 -1.35 -0.30 0.00 -0.96 0.00 0.00 56.93 54.99 3dg3 s PHE 239 Cb -0.33 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.89 3dg3 s PHE 239 CO 0.39 -0.73 1.13 0.42 -1.46 0.00 0.00 175.22 174.98 3dg3 s ILE 240 N 1.44 4.41 -0.11 3.12 1.01 0.84 -1.50 121.20 130.42 3dg3 s ILE 240 Ca 0.00 1.72 -0.10 0.00 0.00 0.00 0.00 60.65 62.27 3dg3 s ILE 240 Cb -0.20 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3dg3 s ILE 240 CO 0.03 0.02 0.21 0.00 0.00 0.00 0.00 174.94 175.21 3dg3 s ALA 241 N 1.95 3.78 0.00 9.38 0.00 -0.50 -1.63 121.76 134.74 3dg3 s ALA 241 Ca 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3dg3 s ALA 241 Cb -0.23 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3dg3 s ALA 241 CO 0.22 0.47 0.00 -3.47 0.00 0.00 0.00 175.76 172.99 3dg3 n ASP 242 N 2.31 0.00 0.31 0.00 -0.08 -1.26 -1.24 116.55 116.60 3dg3 n ASP 242 Ca -0.17 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.32 3dg3 n ASP 242 Cb 0.54 0.00 1.07 0.00 2.34 0.00 0.00 41.12 45.06 3dg3 n ASP 242 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3dg3 h GLU 243 N 0.00 0.00 -0.01 -0.67 9.09 -1.96 -1.60 114.58 119.44 3dg3 h GLU 243 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dg3 h GLU 243 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3dg3 h GLU 243 CO 0.00 0.00 -0.12 -1.13 0.05 0.00 0.00 179.01 177.81 3dg3 n SER 244 N -3.01 0.88 -3.00 3.06 3.41 -1.26 -4.27 113.62 109.43 3dg3 n SER 244 Ca -0.02 -0.94 -0.22 0.00 -0.26 0.00 0.00 58.87 57.43 3dg3 n SER 244 Cb 0.12 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3dg3 n SER 244 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dg3 n VAL 245 N -0.58 1.41 0.41 -3.33 0.24 -0.60 -4.79 118.33 111.09 3dg3 n VAL 245 Ca 0.15 -4.91 0.13 0.00 -2.04 0.00 0.00 64.34 57.67 3dg3 n VAL 245 Cb 0.31 -0.72 0.50 0.00 -1.47 0.00 0.00 33.84 32.45 3dg3 n VAL 245 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3dg3 h PRO 246 N 2.97 0.00 -4.76 7.34 0.13 -1.74 -3.44 132.00 132.49 3dg3 h PRO 246 Ca 0.11 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.99 3dg3 h PRO 246 Cb 0.79 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.77 3dg3 h PRO 246 CO 0.65 0.00 -0.69 0.95 -0.23 0.00 0.00 178.00 178.68 3dg3 s THR 247 N -3.34 0.79 0.33 1.56 -4.23 -1.26 -4.78 115.64 104.71 3dg3 s THR 247 Ca 0.05 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 3dg3 s THR 247 Cb 0.10 -1.79 0.28 0.00 1.34 0.00 0.00 72.50 72.42 3dg3 s THR 247 CO 0.47 -0.78 1.96 -0.65 -0.54 0.00 0.00 174.62 175.07 3dg3 h PRO 248 N 2.88 0.88 -0.41 3.99 0.11 -1.93 -1.21 132.00 136.31 3dg3 h PRO 248 Ca -0.36 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 3dg3 h PRO 248 Cb 1.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3dg3 h PRO 248 CO 0.64 0.59 0.09 0.00 -0.21 0.00 0.00 178.00 179.11 3dg3 h ALA 249 N 1.56 1.39 -0.28 -0.75 0.00 -1.97 -0.82 119.26 118.39 3dg3 h ALA 249 Ca 0.32 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3dg3 h ALA 249 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dg3 h ALA 249 CO -0.10 0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 178.70 3dg3 h ASP 250 N 0.60 0.77 -0.17 0.00 3.32 -1.61 -1.25 116.42 118.07 3dg3 h ASP 250 Ca 0.14 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3dg3 h ASP 250 Cb 0.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3dg3 h ASP 250 CO -0.00 1.10 0.01 0.58 -1.72 0.00 0.00 179.24 179.21 3dg3 h VAL 251 N 0.57 0.89 -0.09 -1.35 2.07 -0.41 0.10 116.25 118.04 3dg3 h VAL 251 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3dg3 h VAL 251 Cb 1.00 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3dg3 h VAL 251 CO 0.09 0.01 0.05 0.74 0.02 0.00 0.00 177.57 178.49 3dg3 h THR 252 N 0.07 1.04 -0.49 2.57 2.02 -1.02 -0.20 112.91 116.90 3dg3 h THR 252 Ca 0.08 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3dg3 h THR 252 Cb 0.09 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3dg3 h THR 252 CO -0.13 0.04 0.21 0.03 0.37 0.00 0.00 175.52 176.04 3dg3 h ARG 253 N 0.10 0.73 -0.25 6.66 3.08 -0.96 -0.67 114.38 123.06 3dg3 h ARG 253 Ca 0.03 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.78 3dg3 h ARG 253 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3dg3 h ARG 253 CO -0.01 0.63 -0.56 0.93 -1.07 0.00 0.00 179.97 179.90 3dg3 h GLU 254 N 0.65 0.76 -0.04 0.04 4.39 -0.73 -1.09 114.58 118.55 3dg3 h GLU 254 Ca 0.17 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 3dg3 h GLU 254 Cb 0.17 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3dg3 h GLU 254 CO -0.02 1.11 -0.05 0.28 -1.16 0.00 0.00 179.01 179.17 3dg3 h VAL 255 N 0.58 1.40 0.00 3.13 2.07 -0.96 0.43 116.25 122.90 3dg3 h VAL 255 Ca 0.01 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 3dg3 h VAL 255 Cb 1.14 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3dg3 h VAL 255 CO 0.12 0.35 -0.29 -0.07 0.02 0.00 0.00 177.57 177.70 3dg3 h LEU 256 N -0.39 0.00 0.00 2.57 3.38 -1.18 -2.44 115.31 117.25 3dg3 h LEU 256 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dg3 h LEU 256 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3dg3 h LEU 256 CO 0.01 0.29 -0.04 1.23 0.09 0.00 0.00 178.44 180.02 3dg3 h GLY 257 N 1.41 0.00 0.00 0.83 0.00 -1.15 -3.48 103.07 100.68 3dg3 h GLY 257 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dg3 h GLY 257 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 3dg3 n GLY 258 N 1.29 0.71 0.89 4.60 0.00 -0.72 -4.95 105.19 107.02 3dg3 n GLY 258 Ca 0.05 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3dg3 n GLY 258 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dg3 n SER 259 N 0.59 2.75 -3.72 1.61 3.41 0.06 -4.47 113.62 113.85 3dg3 n SER 259 Ca 0.00 -1.90 -0.12 0.00 -0.26 0.00 0.00 58.87 56.59 3dg3 n SER 259 Cb 0.00 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3dg3 n SER 259 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dg3 s ALA 260 N -1.91 -1.00 0.00 7.33 0.00 -1.10 -4.89 121.76 120.19 3dg3 s ALA 260 Ca 0.32 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3dg3 s ALA 260 Cb 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.58 3dg3 s ALA 260 CO 0.31 -0.21 0.75 0.25 0.00 0.00 0.00 175.76 176.86 3dg3 n THR 261 N 3.33 0.56 -3.52 0.00 -2.24 -0.56 -4.37 114.28 107.48 3dg3 n THR 261 Ca -0.17 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 3dg3 n THR 261 Cb 0.56 0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 3dg3 n THR 261 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dg3 s ALA 262 N -0.56 -1.44 -0.07 6.98 0.00 -0.61 -4.41 121.76 121.66 3dg3 s ALA 262 Ca 0.00 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3dg3 s ALA 262 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3dg3 s ALA 262 CO 0.00 -0.59 -0.16 0.42 0.00 0.00 0.00 175.76 175.43 3dg3 s ILE 263 N -2.86 1.43 -0.09 0.00 -1.09 -0.09 -1.41 121.20 117.09 3dg3 s ILE 263 Ca -0.03 -0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 57.53 3dg3 s ILE 263 Cb -0.00 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 3dg3 s ILE 263 CO -0.05 0.42 0.52 -0.55 -1.23 0.00 0.00 174.94 174.05 3dg3 s SER 264 N 0.40 6.77 -0.19 3.58 0.15 -0.37 -1.45 113.70 122.58 3dg3 s SER 264 Ca -0.12 0.92 -0.03 0.00 0.70 0.00 0.00 55.95 57.41 3dg3 s SER 264 Cb -0.15 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 3dg3 s SER 264 CO 0.04 0.01 -0.06 -0.63 1.20 0.00 0.00 173.24 173.81 3dg3 s ILE 265 N 0.48 3.43 -0.18 6.45 1.01 0.13 -4.84 121.20 127.68 3dg3 s ILE 265 Ca 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3dg3 s ILE 265 Cb -0.16 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3dg3 s ILE 265 CO 0.12 0.45 -0.10 -0.54 0.00 0.00 0.00 174.94 174.87 3dg3 s LYS 266 N 1.04 1.99 0.60 2.79 1.02 -1.26 -0.70 119.74 125.23 3dg3 s LYS 266 Ca 0.01 -0.70 0.34 0.00 0.02 0.00 0.00 55.97 55.63 3dg3 s LYS 266 Cb -0.15 -2.25 1.91 0.00 -0.52 0.00 0.00 37.83 36.83 3dg3 s LYS 266 CO -0.00 -0.37 2.24 1.79 -0.92 0.00 0.00 175.35 178.09 3dg3 h THR 267 N 6.30 0.35 -0.34 2.17 1.35 -1.85 -1.76 112.91 119.13 3dg3 h THR 267 Ca -0.30 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3dg3 h THR 267 Cb 1.11 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 3dg3 h THR 267 CO 0.48 0.02 0.21 0.00 -0.25 0.00 0.00 175.52 175.98 3dg3 h ALA 268 N 1.97 1.73 0.00 6.62 0.00 -1.90 0.25 119.26 127.92 3dg3 h ALA 268 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dg3 h ALA 268 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dg3 h ALA 268 CO 0.00 0.24 -1.84 2.89 0.00 0.00 0.00 179.25 180.55 3dg3 n ARG 269 N -4.47 0.65 0.00 0.00 1.85 -0.73 -3.92 116.66 110.05 3dg3 n ARG 269 Ca 0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 3dg3 n ARG 269 Cb 0.08 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 3dg3 n ARG 269 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3dg3 n THR 270 N -2.18 0.70 -2.40 8.89 -2.24 -0.83 -4.57 114.28 111.66 3dg3 n THR 270 Ca -0.07 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3dg3 n THR 270 Cb 0.54 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3dg3 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dg3 n GLY 271 N -0.35 2.52 0.17 3.38 0.00 0.87 -0.78 105.19 111.00 3dg3 n GLY 271 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3dg3 n GLY 271 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dg3 n PHE 272 N 14.00 0.00 -0.04 1.61 3.72 -1.26 -3.83 117.46 131.66 3dg3 n PHE 272 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 3dg3 n PHE 272 Cb 0.00 -0.56 -0.06 0.00 -0.94 0.00 0.00 39.48 37.91 3dg3 n PHE 272 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3dg3 h THR 273 N -0.12 1.24 -0.43 4.37 2.02 -1.92 -1.51 112.91 116.56 3dg3 h THR 273 Ca -0.34 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 65.91 3dg3 h THR 273 Cb 1.47 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3dg3 h THR 273 CO -0.09 0.23 -0.28 1.23 0.37 0.00 0.00 175.52 176.99 3dg3 h GLY 274 N -0.01 1.01 1.88 2.16 0.00 -1.63 -2.86 103.07 103.62 3dg3 h GLY 274 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.39 3dg3 h GLY 274 CO 0.01 0.85 -0.16 1.76 0.00 0.00 0.00 176.54 178.99 3dg3 h SER 275 N 0.79 0.14 -0.25 0.19 0.02 -0.89 -1.11 113.55 112.44 3dg3 h SER 275 Ca 0.09 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3dg3 h SER 275 Cb 0.85 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3dg3 h SER 275 CO 0.07 0.32 -0.20 0.74 -1.14 0.00 0.00 176.83 176.62 3dg3 h THR 276 N 0.14 1.27 -0.60 -2.27 2.02 -1.11 0.11 112.91 112.46 3dg3 h THR 276 Ca 0.03 -1.28 -0.07 0.00 0.77 0.00 0.00 66.41 65.86 3dg3 h THR 276 Cb 0.38 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3dg3 h THR 276 CO 0.02 0.42 0.10 0.03 0.37 0.00 0.00 175.52 176.47 3dg3 h ARG 277 N 0.62 0.97 -0.16 6.66 3.08 -1.03 -0.57 114.38 123.96 3dg3 h ARG 277 Ca 0.09 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 3dg3 h ARG 277 Cb 0.68 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3dg3 h ARG 277 CO 0.05 0.90 -0.19 0.28 -1.07 0.00 0.00 179.97 179.94 3dg3 h VAL 278 N 0.92 1.35 -0.41 2.04 2.07 -0.76 -2.05 116.25 119.40 3dg3 h VAL 278 Ca 0.19 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.35 3dg3 h VAL 278 Cb 0.40 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3dg3 h VAL 278 CO 0.01 0.41 0.22 -0.74 0.02 0.00 0.00 177.57 177.49 3dg3 h HIS 279 N 0.04 0.41 -0.30 1.57 -0.00 -0.64 0.26 115.15 116.50 3dg3 h HIS 279 Ca 0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.32 3dg3 h HIS 279 Cb 0.74 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.01 3dg3 h HIS 279 CO 0.09 0.22 -0.16 0.45 -0.00 0.00 0.00 177.93 178.53 3dg3 h HIS 280 N 0.45 0.59 -0.07 5.26 -0.00 -1.12 0.97 115.15 121.22 3dg3 h HIS 280 Ca 0.17 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 3dg3 h HIS 280 Cb 0.05 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 3dg3 h HIS 280 CO -0.09 0.67 -0.03 1.25 -0.00 0.00 0.00 177.93 179.73 3dg3 h LEU 281 N 0.49 0.15 -0.85 2.43 5.85 -0.96 -0.92 115.31 121.50 3dg3 h LEU 281 Ca 0.08 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 3dg3 h LEU 281 Cb 0.56 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3dg3 h LEU 281 CO 0.04 0.52 0.38 0.00 -0.34 0.00 0.00 178.44 179.04 3dg3 h ALA 282 N 0.64 1.10 -0.45 1.25 0.00 -0.77 -0.57 119.26 120.46 3dg3 h ALA 282 Ca 0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3dg3 h ALA 282 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dg3 h ALA 282 CO 0.01 0.67 -0.05 1.49 0.00 0.00 0.00 179.25 181.37 3dg3 h GLU 283 N 1.20 0.84 -0.45 0.00 4.81 -0.78 -0.04 114.58 120.16 3dg3 h GLU 283 Ca 0.29 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3dg3 h GLU 283 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3dg3 h GLU 283 CO -0.03 0.92 -0.07 0.78 -0.73 0.00 0.00 179.01 179.88 3dg3 h GLY 284 N 0.68 0.84 2.00 1.92 0.00 -0.86 -2.62 103.07 105.02 3dg3 h GLY 284 Ca 0.12 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 3dg3 h GLY 284 CO 0.03 0.56 -0.36 1.41 0.00 0.00 0.00 176.54 178.18 3dg3 h LEU 285 N 0.71 0.00 -0.80 3.11 3.38 -0.99 -3.48 115.31 117.24 3dg3 h LEU 285 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dg3 h LEU 285 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dg3 h LEU 285 CO 0.03 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.53 3dg3 n GLY 286 N 0.87 0.61 3.28 0.83 0.00 -0.20 -5.09 105.19 105.49 3dg3 n GLY 286 Ca 0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 3dg3 n GLY 286 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dg3 s LEU 287 N -0.80 2.16 0.62 0.99 1.43 -0.22 -5.04 118.68 117.82 3dg3 s LEU 287 Ca 0.00 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 3dg3 s LEU 287 Cb 0.00 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3dg3 s LEU 287 CO 0.00 0.20 1.13 -1.81 0.23 0.00 0.00 176.35 176.10 3dg3 s ASP 288 N -1.14 5.25 0.02 2.29 1.01 -1.26 -4.50 116.67 118.32 3dg3 s ASP 288 Ca 0.09 2.09 0.00 0.00 0.71 0.00 0.00 52.55 55.44 3dg3 s ASP 288 Cb -0.09 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 3dg3 s ASP 288 CO 0.02 -1.54 -0.03 0.00 0.21 0.00 0.00 175.17 173.83 3dg3 s MET 289 N -3.80 0.25 -0.01 8.23 0.23 -1.26 -0.91 119.30 122.02 3dg3 s MET 289 Ca 0.70 -0.42 0.02 0.00 -1.03 0.00 0.00 55.69 54.95 3dg3 s MET 289 Cb -0.22 0.00 0.00 0.00 -1.53 0.00 0.00 34.83 33.08 3dg3 s MET 289 CO 0.37 -0.01 -0.06 0.08 -2.03 0.00 0.00 175.02 173.37 3dg3 s VAL 290 N -0.94 0.51 -0.17 5.16 1.01 -0.53 -4.69 120.40 120.74 3dg3 s VAL 290 Ca -0.10 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3dg3 s VAL 290 Cb -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3dg3 s VAL 290 CO -0.01 0.16 1.17 -0.04 0.00 0.00 0.00 175.10 176.39 3dg3 s MET 291 N 0.13 4.26 0.58 2.72 -1.94 -1.26 -0.70 119.30 123.10 3dg3 s MET 291 Ca -0.01 1.56 0.09 0.00 -1.71 0.00 0.00 55.69 55.62 3dg3 s MET 291 Cb -0.06 -3.69 0.09 0.00 2.01 0.00 0.00 34.83 33.18 3dg3 s MET 291 CO -0.00 -0.63 0.80 0.20 -0.01 0.00 0.00 175.02 175.38 3dg3 s GLY 292 N 1.64 1.73 -0.05 -0.03 0.00 0.13 -1.42 107.32 109.31 3dg3 s GLY 292 Ca 0.51 -2.13 0.05 0.00 0.00 0.00 0.00 44.72 43.15 3dg3 s GLY 292 CO 0.13 -1.66 -0.20 0.21 0.00 0.00 0.00 173.10 171.58 3dg3 s ASN 293 N -4.67 2.46 -0.44 1.64 3.84 -1.26 -4.64 114.94 111.87 3dg3 s ASN 293 Ca 0.62 -0.40 0.04 0.00 0.21 0.00 0.00 52.86 53.33 3dg3 s ASN 293 Cb -0.06 -0.66 0.57 0.00 -0.55 0.00 0.00 41.25 40.56 3dg3 s ASN 293 CO 0.39 0.19 1.78 1.67 -2.79 0.00 0.00 177.10 178.34 3dg3 n GLN 294 N 3.05 2.29 -3.33 0.43 -0.06 -1.26 -4.81 117.38 113.68 3dg3 n GLN 294 Ca -0.18 -3.18 -0.16 0.00 -2.00 0.00 0.00 57.00 51.48 3dg3 n GLN 294 Cb 0.53 -2.11 0.08 0.00 -4.06 0.00 0.00 30.24 24.68 3dg3 n GLN 294 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3dg3 n ILE 295 N -1.08 -6.33 -2.52 1.69 5.41 -1.26 -4.95 119.36 110.32 3dg3 n ILE 295 Ca 0.52 -0.63 -0.33 0.00 1.00 0.00 0.00 62.75 63.31 3dg3 n ILE 295 Cb 1.27 -5.18 -0.04 0.00 -0.71 0.00 0.00 39.64 34.99 3dg3 n ILE 295 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3dg3 s ASP 296 N -4.13 6.55 0.66 4.38 1.01 -1.26 -4.97 116.67 118.91 3dg3 s ASP 296 Ca 0.08 1.72 -0.02 0.00 0.71 0.00 0.00 52.55 55.04 3dg3 s ASP 296 Cb -0.01 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.43 3dg3 s ASP 296 CO 0.70 -0.63 0.31 0.61 0.21 0.00 0.00 175.17 176.37 3dg3 n GLY 297 N -0.92 0.07 0.23 0.21 0.00 -1.26 -3.23 105.19 100.29 3dg3 n GLY 297 Ca 0.08 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.29 3dg3 n GLY 297 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dg3 h GLN 298 N 0.00 0.00 -0.07 1.61 4.20 -1.95 -1.24 115.11 117.66 3dg3 h GLN 298 Ca -0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3dg3 h GLN 298 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3dg3 h GLN 298 CO 0.10 0.19 0.00 0.82 -0.67 0.00 0.00 178.83 179.27 3dg3 h ILE 299 N 0.00 1.24 -0.39 2.54 2.04 -1.99 -0.48 117.51 120.46 3dg3 h ILE 299 Ca -0.00 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 3dg3 h ILE 299 Cb 0.38 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3dg3 h ILE 299 CO 0.02 0.21 -0.01 1.23 0.00 0.00 0.00 178.15 179.61 3dg3 h GLY 300 N -0.15 0.67 1.31 5.37 0.00 -1.83 -2.46 103.07 105.97 3dg3 h GLY 300 Ca 0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3dg3 h GLY 300 CO 0.00 0.39 -0.26 -0.84 0.00 0.00 0.00 176.54 175.83 3dg3 h THR 301 N 0.59 1.27 -0.26 4.70 2.02 -1.07 -1.17 112.91 119.00 3dg3 h THR 301 Ca 0.12 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 3dg3 h THR 301 Cb 0.38 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3dg3 h THR 301 CO 0.01 0.46 0.02 0.00 0.37 0.00 0.00 175.52 176.38 3dg3 h ALA 302 N 1.03 1.56 -0.22 6.16 0.00 -0.75 -1.59 119.26 125.44 3dg3 h ALA 302 Ca 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3dg3 h ALA 302 Cb 0.79 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dg3 h ALA 302 CO 0.06 0.33 -0.33 0.00 0.00 0.00 0.00 179.25 179.31 3dg3 h THR 304 N 0.29 0.96 -0.14 0.00 2.02 -0.69 -2.03 112.91 113.33 3dg3 h THR 304 Ca 0.02 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 3dg3 h THR 304 Cb 0.92 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3dg3 h THR 304 CO 0.08 0.04 -0.38 1.62 0.37 0.00 0.00 175.52 177.24 3dg3 h VAL 305 N 0.21 1.30 -0.68 3.16 3.04 -1.34 -0.02 116.25 121.92 3dg3 h VAL 305 Ca 0.10 -1.48 0.02 0.00 -1.01 0.00 0.00 66.70 64.34 3dg3 h VAL 305 Cb 0.05 1.62 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 3dg3 h VAL 305 CO -0.09 0.45 0.43 0.28 -1.01 0.00 0.00 177.57 177.63 3dg3 h SER 306 N 0.26 0.71 0.01 3.17 0.02 -0.86 -1.90 113.55 114.96 3dg3 h SER 306 Ca 0.03 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3dg3 h SER 306 Cb 0.80 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3dg3 h SER 306 CO 0.06 0.50 -0.21 0.15 -1.14 0.00 0.00 176.83 176.20 3dg3 h PHE 307 N 0.85 0.19 -0.60 3.45 3.57 -1.12 -3.31 116.94 119.96 3dg3 h PHE 307 Ca 0.27 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3dg3 h PHE 307 Cb -0.01 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3dg3 h PHE 307 CO -0.04 0.96 0.40 0.78 -2.23 0.00 0.00 178.31 178.17 3dg3 h GLY 308 N -0.64 0.72 2.00 2.40 0.00 -0.96 -1.71 103.07 104.88 3dg3 h GLY 308 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dg3 h GLY 308 CO 0.04 0.18 0.00 -0.91 0.00 0.00 0.00 176.54 175.85 3dg3 h THR 309 N 0.58 0.00 0.00 4.70 1.35 -1.47 -3.12 112.91 114.95 3dg3 h THR 309 Ca 0.26 -0.53 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 3dg3 h THR 309 Cb 0.28 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3dg3 h THR 309 CO -0.08 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 174.92 3dg3 h ALA 310 N 2.30 0.99 -3.42 6.62 0.00 -1.40 -0.30 119.26 124.05 3dg3 h ALA 310 Ca 0.00 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 3dg3 h ALA 310 Cb 0.68 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.22 3dg3 h ALA 310 CO 0.00 0.34 -0.81 -0.06 0.00 0.00 0.00 179.25 178.72 3dg3 s PHE 311 N -3.59 1.86 0.10 0.00 0.08 -1.23 -1.92 117.98 113.28 3dg3 s PHE 311 Ca 0.01 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.49 3dg3 s PHE 311 Cb 0.10 -0.98 -0.11 0.00 -0.57 0.00 0.00 43.02 41.46 3dg3 s PHE 311 CO 0.66 0.27 1.37 1.49 -0.10 0.00 0.00 175.22 178.91 3dg3 h GLU 312 N 3.75 0.73 0.00 0.44 4.22 -1.87 -2.41 114.58 119.44 3dg3 h GLU 312 Ca -0.45 -0.45 -0.03 0.00 0.08 0.00 0.00 59.36 58.51 3dg3 h GLU 312 Cb 1.19 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3dg3 h GLU 312 CO 0.44 1.08 -0.12 0.00 -2.18 0.00 0.00 179.01 178.22 3dg3 h ARG 313 N 0.46 0.00 0.07 1.92 2.47 -1.97 -1.32 114.38 116.02 3dg3 h ARG 313 Ca 0.02 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.40 3dg3 h ARG 313 Cb 1.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.32 3dg3 h ARG 313 CO 0.10 0.12 -1.92 0.25 0.56 0.00 0.00 179.97 179.08 3dg3 n THR 314 N -3.83 1.70 0.84 2.04 -2.24 -1.22 -4.14 114.28 107.43 3dg3 n THR 314 Ca -0.02 -0.71 0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3dg3 n THR 314 Cb 0.22 -1.43 0.54 0.00 -2.10 0.00 0.00 70.33 67.56 3dg3 n THR 314 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dg3 n SER 315 N -3.29 0.15 0.05 3.42 3.41 -0.91 -3.11 113.62 113.34 3dg3 n SER 315 Ca -0.27 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 3dg3 n SER 315 Cb 1.05 -0.56 0.45 0.00 -0.26 0.00 0.00 64.21 64.89 3dg3 n SER 315 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3dg3 n ARG 316 N -1.65 0.09 -4.44 4.33 1.85 -0.52 -4.73 116.66 111.59 3dg3 n ARG 316 Ca 0.06 0.22 -0.26 0.00 -1.00 0.00 0.00 57.85 56.88 3dg3 n ARG 316 Cb 0.33 -1.63 -0.11 0.00 -1.05 0.00 0.00 32.46 29.99 3dg3 n ARG 316 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3dg3 s HIS 317 N -3.09 2.28 0.62 2.89 3.76 -1.18 -5.11 115.29 115.45 3dg3 s HIS 317 Ca 0.09 -0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 3dg3 s HIS 317 Cb 0.12 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 3dg3 s HIS 317 CO 0.41 0.58 1.12 0.00 -0.85 0.00 0.00 174.74 176.00 3dg3 s ALA 318 N -2.02 2.55 0.04 -1.40 0.00 -1.26 -4.60 121.76 115.06 3dg3 s ALA 318 Ca 0.24 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3dg3 s ALA 318 Cb -0.07 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3dg3 s ALA 318 CO 0.12 -1.10 -0.10 0.20 0.00 0.00 0.00 175.76 174.87 3dg3 s GLY 319 N -2.30 1.72 -0.83 0.00 0.00 0.28 -4.47 107.32 101.73 3dg3 s GLY 319 Ca 0.69 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 3dg3 s GLY 319 CO 0.36 -1.02 1.72 -0.54 0.00 0.00 0.00 173.10 173.62 3dg3 s GLU 320 N -1.64 2.89 -0.08 2.90 2.02 -0.51 -1.23 118.70 123.04 3dg3 s GLU 320 Ca 0.18 -0.22 0.12 0.00 0.02 0.00 0.00 54.97 55.07 3dg3 s GLU 320 Cb -0.11 -4.81 0.20 0.00 0.10 0.00 0.00 34.13 29.51 3dg3 s GLU 320 CO 0.09 -2.78 1.10 1.28 0.02 0.00 0.00 175.26 174.97 3dg3 n LEU 321 N 11.90 1.43 -0.17 1.80 4.77 -1.24 -3.99 117.00 131.50 3dg3 n LEU 321 Ca 0.28 -2.32 0.02 0.00 -0.03 0.00 0.00 56.01 53.96 3dg3 n LEU 321 Cb 0.49 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3dg3 n LEU 321 CO 0.66 0.58 0.35 -1.54 -1.33 0.00 0.00 177.39 176.11 3dg3 n SER 322 N -0.77 1.49 0.01 -1.43 3.41 -1.25 -4.72 113.62 110.36 3dg3 n SER 322 Ca 0.10 -1.30 0.04 0.00 -0.26 0.00 0.00 58.87 57.45 3dg3 n SER 322 Cb 0.70 -0.01 0.42 0.00 -0.26 0.00 0.00 64.21 65.06 3dg3 n SER 322 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3dg3 h ASN 323 N 0.78 0.46 -0.02 4.04 4.21 -1.87 -2.51 115.58 120.66 3dg3 h ASN 323 Ca 0.00 -0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.50 3dg3 h ASN 323 Cb 0.23 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3dg3 h ASN 323 CO 0.00 0.34 0.10 2.19 -1.29 0.00 0.00 177.43 178.77 3dg3 h PHE 324 N 0.54 0.00 0.00 1.19 -5.15 -1.83 -1.70 116.94 109.99 3dg3 h PHE 324 Ca 0.14 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.91 3dg3 h PHE 324 Cb -0.05 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.12 3dg3 h PHE 324 CO 0.00 0.00 -0.04 -0.07 -2.00 0.00 0.00 178.31 176.20 3dg3 h LEU 325 N 0.00 0.00 -0.00 2.10 3.38 -1.79 -2.14 115.31 116.86 3dg3 h LEU 325 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dg3 h LEU 325 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dg3 h LEU 325 CO -0.00 0.04 -0.01 0.47 0.09 0.00 0.00 178.44 179.03 3dg3 n ASP 326 N -3.43 0.01 -4.80 -0.43 8.00 -0.64 -4.82 116.55 110.44 3dg3 n ASP 326 Ca -0.02 0.34 -0.35 0.00 0.71 0.00 0.00 54.79 55.47 3dg3 n ASP 326 Cb 0.16 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 3dg3 n ASP 326 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3dg3 s MET 327 N -2.90 4.42 0.21 -1.24 -1.94 -0.81 -0.48 119.30 116.56 3dg3 s MET 327 Ca 0.17 1.23 0.25 0.00 -1.71 0.00 0.00 55.69 55.64 3dg3 s MET 327 Cb 0.19 -2.51 0.88 0.00 2.01 0.00 0.00 34.83 35.41 3dg3 s MET 327 CO 0.52 0.13 1.76 -1.13 -0.01 0.00 0.00 175.02 176.29 3dg3 n SER 328 N -0.00 0.72 -3.65 3.03 3.41 -0.57 -4.65 113.62 111.91 3dg3 n SER 328 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3dg3 n SER 328 Cb 0.52 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3dg3 n SER 328 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dg3 s ASP 329 N -4.35 -0.05 0.35 4.04 2.15 -1.26 -5.03 116.67 112.53 3dg3 s ASP 329 Ca 0.09 -0.28 -0.07 0.00 0.43 0.00 0.00 52.55 52.72 3dg3 s ASP 329 Cb 0.12 0.26 0.02 0.00 -0.30 0.00 0.00 42.92 43.01 3dg3 s ASP 329 CO 0.52 -0.49 0.58 -0.62 -0.17 0.00 0.00 175.17 174.99 3dg3 s ASP 330 N -3.26 0.58 0.00 -0.34 -1.08 -1.26 -4.97 116.67 106.33 3dg3 s ASP 330 Ca 0.19 -1.35 0.26 0.00 -0.52 0.00 0.00 52.55 51.13 3dg3 s ASP 330 Cb 0.01 0.72 0.66 0.00 -1.46 0.00 0.00 42.92 42.86 3dg3 s ASP 330 CO -0.01 -1.42 1.51 0.18 0.52 0.00 0.00 175.17 175.96 3dg3 n LEU 331 N -0.55 1.63 -4.80 -1.34 4.77 -1.26 -4.96 117.00 110.49 3dg3 n LEU 331 Ca -0.02 -0.53 -0.35 0.00 -0.03 0.00 0.00 56.01 55.08 3dg3 n LEU 331 Cb 0.61 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 3dg3 n LEU 331 CO 0.28 0.29 0.65 -0.76 -1.33 0.00 0.00 177.39 176.52 3dg3 s LEU 332 N -2.25 4.09 0.23 2.23 1.43 -1.26 -0.29 118.68 122.86 3dg3 s LEU 332 Ca 0.29 1.76 0.09 0.00 -1.03 0.00 0.00 54.13 55.23 3dg3 s LEU 332 Cb 0.20 -4.34 0.21 0.00 0.03 0.00 0.00 46.19 42.28 3dg3 s LEU 332 CO 0.43 -0.27 1.53 0.71 0.23 0.00 0.00 176.35 178.98 3dg3 h THR 333 N 2.16 1.50 -3.54 5.49 1.35 -1.55 -3.41 112.91 114.92 3dg3 h THR 333 Ca -0.48 -2.41 -0.59 0.00 -0.55 0.00 0.00 66.41 62.38 3dg3 h THR 333 Cb 1.19 2.30 -0.39 0.00 -1.73 0.00 0.00 68.15 69.52 3dg3 h THR 333 CO 0.62 0.69 -0.78 -0.69 -0.25 0.00 0.00 175.52 175.12 3dg3 s VAL 334 N -3.41 1.29 0.66 6.82 1.01 -1.26 -5.04 120.40 120.46 3dg3 s VAL 334 Ca -0.01 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 3dg3 s VAL 334 Cb 0.12 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 3dg3 s VAL 334 CO 0.78 -0.15 1.17 -2.16 0.00 0.00 0.00 175.10 174.75 3dg3 s PRO 335 N 1.50 2.66 0.46 2.72 0.04 -1.26 -4.97 135.00 136.16 3dg3 s PRO 335 Ca -0.04 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 3dg3 s PRO 335 Cb -0.18 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3dg3 s PRO 335 CO -0.07 -1.41 1.06 -0.51 0.04 0.00 0.00 177.00 176.11 3dg3 s LEU 336 N -4.66 3.95 -0.05 -3.56 1.43 -1.26 -5.05 118.68 109.49 3dg3 s LEU 336 Ca 0.73 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.86 3dg3 s LEU 336 Cb -0.26 -4.41 0.01 0.00 0.03 0.00 0.00 46.19 41.56 3dg3 s LEU 336 CO 0.39 -0.71 -0.10 -1.58 0.23 0.00 0.00 176.35 174.58 3dg3 s GLN 337 N -2.94 1.34 -0.22 1.70 0.74 -1.26 -5.12 119.66 113.89 3dg3 s GLN 337 Ca 0.64 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 55.64 3dg3 s GLN 337 Cb -0.20 -1.17 -0.04 0.00 1.10 0.00 0.00 33.01 32.71 3dg3 s GLN 337 CO 0.24 0.04 0.09 0.42 -0.55 0.00 0.00 175.29 175.52 3dg3 s ILE 338 N 0.57 4.70 -0.00 -2.34 1.01 -1.26 -4.70 121.20 119.17 3dg3 s ILE 338 Ca -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 3dg3 s ILE 338 Cb -0.14 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 3dg3 s ILE 338 CO 0.02 0.38 0.01 -0.94 0.00 0.00 0.00 174.94 174.41 3dg3 s SER 339 N 1.07 0.00 -1.47 3.58 1.04 -0.92 -4.78 113.70 112.23 3dg3 s SER 339 Ca 0.05 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.36 3dg3 s SER 339 Cb -0.14 0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.07 3dg3 s SER 339 CO 0.03 -0.03 0.93 -0.67 0.98 0.00 0.00 173.24 174.48 3dg3 n ASP 340 N 2.95 -5.33 -1.69 7.02 2.03 -0.97 -1.48 116.55 119.07 3dg3 n ASP 340 Ca -0.13 -0.60 -0.20 0.00 0.52 0.00 0.00 54.79 54.38 3dg3 n ASP 340 Cb 0.59 -4.26 -0.07 0.00 -0.72 0.00 0.00 41.12 36.67 3dg3 n ASP 340 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dg3 n GLY 341 N -1.70 1.33 3.21 0.27 0.00 0.94 -4.82 105.19 104.41 3dg3 n GLY 341 Ca 0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3dg3 n GLY 341 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dg3 s GLN 342 N -3.99 0.99 -0.06 1.61 -0.21 -0.55 -0.41 119.66 117.04 3dg3 s GLN 342 Ca 0.00 -1.44 -0.00 0.00 0.02 0.00 0.00 55.36 53.93 3dg3 s GLN 342 Cb 0.00 -0.26 0.03 0.00 1.00 0.00 0.00 33.01 33.77 3dg3 s GLN 342 CO 0.00 -0.07 -0.02 -1.17 -2.12 0.00 0.00 175.29 171.91 3dg3 s LEU 343 N -3.12 0.94 0.34 2.90 2.96 -0.12 -2.16 118.68 120.42 3dg3 s LEU 343 Ca 0.18 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3dg3 s LEU 343 Cb 0.05 -0.48 -0.07 0.00 0.50 0.00 0.00 46.19 46.19 3dg3 s LEU 343 CO 0.00 -0.13 0.71 -1.00 -1.32 0.00 0.00 176.35 174.61 3dg3 s HIS 344 N 1.53 3.43 0.43 5.38 3.76 -1.26 -1.15 115.29 127.40 3dg3 s HIS 344 Ca -0.01 1.05 -0.23 0.00 -0.15 0.00 0.00 55.06 55.72 3dg3 s HIS 344 Cb -0.13 -2.42 -0.09 0.00 1.11 0.00 0.00 32.58 31.05 3dg3 s HIS 344 CO -0.03 0.03 1.04 -0.98 -0.85 0.00 0.00 174.74 173.95 3dg3 s ARG 345 N -3.39 4.03 0.46 1.40 1.04 -0.54 -4.96 118.95 116.99 3dg3 s ARG 345 Ca 0.51 1.45 -0.25 0.00 -1.04 0.00 0.00 55.73 56.40 3dg3 s ARG 345 Cb -0.10 -2.37 -0.08 0.00 -2.04 0.00 0.00 34.95 30.36 3dg3 s ARG 345 CO 0.25 -0.25 1.42 1.03 -0.04 0.00 0.00 175.30 177.71 3dg3 s ARG 346 N -2.78 3.65 0.35 3.89 1.81 -1.26 -4.93 118.95 119.67 3dg3 s ARG 346 Ca 0.61 2.39 0.17 0.00 -1.72 0.00 0.00 55.73 57.19 3dg3 s ARG 346 Cb -0.20 -2.62 0.57 0.00 -0.45 0.00 0.00 34.95 32.25 3dg3 s ARG 346 CO 0.24 -0.84 1.69 -1.00 -0.68 0.00 0.00 175.30 174.71 3dg3 h PRO 347 N 2.26 0.00 -7.41 3.54 0.13 -1.91 -3.45 132.00 125.16 3dg3 h PRO 347 Ca -0.51 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.14 3dg3 h PRO 347 Cb 1.27 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.52 3dg3 h PRO 347 CO 0.61 0.44 0.30 0.20 -0.23 0.00 0.00 178.00 179.32 3dg3 s GLY 348 N -4.39 1.61 0.77 1.56 0.00 -1.26 -4.87 107.32 100.74 3dg3 s GLY 348 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.34 3dg3 s GLY 348 CO 0.71 0.24 1.21 -4.14 0.00 0.00 0.00 173.10 171.12 3dg3 s PRO 349 N -5.12 1.89 6.15 2.90 0.02 -1.26 -3.75 135.00 135.82 3dg3 s PRO 349 Ca 0.62 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3dg3 s PRO 349 Cb -0.15 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3dg3 s PRO 349 CO 0.55 -2.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 3dg3 n GLY 350 N 0.46 2.61 0.00 0.52 0.00 0.11 -1.48 105.19 107.40 3dg3 n GLY 350 Ca 0.14 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3dg3 n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dg3 n LEU 351 N 0.00 0.00 -1.38 0.99 4.77 -1.26 -1.24 117.00 118.88 3dg3 n LEU 351 Ca 0.00 0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 3dg3 n LEU 351 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3dg3 n LEU 351 CO 0.00 -0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 176.51 3dg3 n GLY 352 N 1.15 -0.06 3.29 -0.72 0.00 -0.55 -4.54 105.19 103.76 3dg3 n GLY 352 Ca 0.07 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 3dg3 n GLY 352 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dg3 s ILE 353 N -2.63 1.05 -0.05 -0.61 -4.36 -1.26 -4.66 121.20 108.67 3dg3 s ILE 353 Ca 0.04 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3dg3 s ILE 353 Cb -0.02 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3dg3 s ILE 353 CO 0.05 -0.49 0.14 -0.70 0.24 0.00 0.00 174.94 174.18 3dg3 s GLU 354 N -3.83 0.14 -0.01 0.37 2.12 -1.26 -5.06 118.70 111.17 3dg3 s GLU 354 Ca 0.24 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.51 3dg3 s GLU 354 Cb 0.05 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3dg3 s GLU 354 CO 0.05 -0.06 0.93 0.42 -0.54 0.00 0.00 175.26 176.07 3dg3 s ILE 355 N 0.35 4.90 -0.37 -3.70 -1.09 -1.26 -1.41 121.20 118.62 3dg3 s ILE 355 Ca -0.02 1.95 -0.29 0.00 -2.23 0.00 0.00 60.65 60.05 3dg3 s ILE 355 Cb -0.04 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 3dg3 s ILE 355 CO -0.01 0.18 1.18 -0.62 -1.23 0.00 0.00 174.94 174.43 3dg3 s ASP 356 N 0.97 6.73 0.26 3.58 2.15 0.60 -4.80 116.67 126.16 3dg3 s ASP 356 Ca 0.49 0.90 -0.02 0.00 0.43 0.00 0.00 52.55 54.36 3dg3 s ASP 356 Cb -0.20 -2.54 0.56 0.00 -0.30 0.00 0.00 42.92 40.43 3dg3 s ASP 356 CO 0.26 -1.09 1.70 -0.65 -0.17 0.00 0.00 175.17 175.23 3dg3 h PRO 357 N 8.94 0.35 -0.31 4.34 0.11 -1.94 -1.41 132.00 142.08 3dg3 h PRO 357 Ca -0.23 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 3dg3 h PRO 357 Cb 1.07 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3dg3 h PRO 357 CO 1.07 0.23 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.38 3dg3 h ASP 358 N 0.36 0.63 -0.31 -2.05 3.32 -1.98 -1.66 116.42 114.73 3dg3 h ASP 358 Ca 0.47 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3dg3 h ASP 358 Cb 0.81 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3dg3 h ASP 358 CO -0.49 0.88 -0.01 0.11 -1.72 0.00 0.00 179.24 178.01 3dg3 h LYS 359 N 0.54 0.56 -0.71 3.56 1.79 -1.65 -1.85 116.57 118.80 3dg3 h LYS 359 Ca 0.07 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3dg3 h LYS 359 Cb 0.74 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3dg3 h LYS 359 CO 0.06 0.70 0.28 1.25 -1.08 0.00 0.00 179.45 180.66 3dg3 h LEU 360 N 0.36 0.99 -1.07 2.94 5.85 -1.24 -1.10 115.31 122.04 3dg3 h LEU 360 Ca 0.09 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3dg3 h LEU 360 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3dg3 h LEU 360 CO 0.02 0.90 0.06 0.00 -0.34 0.00 0.00 178.44 179.08 3dg3 h ALA 361 N 1.13 1.24 0.03 1.25 0.00 -1.20 -0.36 119.26 121.35 3dg3 h ALA 361 Ca 0.24 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3dg3 h ALA 361 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dg3 h ALA 361 CO -0.02 0.51 -0.98 1.25 0.00 0.00 0.00 179.25 180.02 3dg3 h HIS 362 N 0.69 0.20 0.00 0.00 -0.00 -0.97 -3.36 115.15 111.71 3dg3 h HIS 362 Ca 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3dg3 h HIS 362 Cb 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3dg3 h HIS 362 CO 0.02 1.02 -1.39 0.66 -0.00 0.00 0.00 177.93 178.24 3dg3 n TYR 363 N -3.53 0.00 -1.95 5.26 4.01 -0.45 -4.98 117.16 115.52 3dg3 n TYR 363 Ca -0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 3dg3 n TYR 363 Cb 0.89 -0.21 0.04 0.00 -0.31 0.00 0.00 39.34 39.74 3dg3 n TYR 363 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3dg3 s ARG 364 N -3.10 2.98 -0.16 -0.72 1.70 -0.16 -1.25 118.95 118.24 3dg3 s ARG 364 Ca 0.01 1.93 0.15 0.00 -0.47 0.00 0.00 55.73 57.35 3dg3 s ARG 364 Cb 0.14 -2.00 0.34 0.00 -0.57 0.00 0.00 34.95 32.86 3dg3 s ARG 364 CO 0.82 -1.22 1.18 0.25 -1.08 0.00 0.00 175.30 175.24 3dg3 n THR 365 N -1.47 1.93 0.74 4.99 -2.24 -0.01 -4.85 114.28 113.37 3dg3 n THR 365 Ca 0.13 -2.59 0.09 0.00 -2.27 0.00 0.00 64.05 59.41 3dg3 n THR 365 Cb 0.48 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.60 3dg3 n THR 365 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60