#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s LYS 10 N 0.00 4.23 -0.31 -0.14 -2.85 -1.26 -4.99 119.74 114.42 3gfg s LYS 10 Ca 0.00 2.19 -0.27 0.00 -1.00 0.00 0.00 55.97 56.89 3gfg s LYS 10 Cb 0.00 -3.61 0.01 0.00 -2.06 0.00 0.00 37.83 32.17 3gfg s LYS 10 CO 0.00 -0.69 0.99 0.14 0.10 0.00 0.00 175.35 175.90 3gfg s VAL 11 N 2.64 4.61 0.22 1.79 -7.23 -1.26 -5.04 120.40 116.13 3gfg s VAL 11 Ca 0.70 1.61 0.02 0.00 -1.81 0.00 0.00 61.98 62.49 3gfg s VAL 11 Cb -0.36 -4.33 -0.01 0.00 0.56 0.00 0.00 36.38 32.24 3gfg s VAL 11 CO 0.30 -0.39 0.06 -0.90 -0.31 0.00 0.00 175.10 173.86 3gfg n ASP 12 N 6.63 1.46 -4.58 4.85 5.68 -1.26 -5.11 116.55 124.22 3gfg n ASP 12 Ca 0.10 -2.13 -0.52 0.00 -0.50 0.00 0.00 54.79 51.74 3gfg n ASP 12 Cb 0.47 0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.85 3gfg n ASP 12 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3gfg n THR 13 N -0.51 0.15 -1.95 2.12 -2.24 -1.26 -4.90 114.28 105.68 3gfg n THR 13 Ca -0.05 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3gfg n THR 13 Cb 0.32 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 3gfg n THR 13 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gfg s ILE 14 N 0.32 3.19 -0.32 2.28 1.01 0.30 -4.77 121.20 123.21 3gfg s ILE 14 Ca 0.83 0.56 -0.22 0.00 0.00 0.00 0.00 60.65 61.81 3gfg s ILE 14 Cb -0.97 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3gfg s ILE 14 CO 0.49 -0.01 0.74 -0.54 0.00 0.00 0.00 174.94 175.61 3gfg s LYS 15 N 2.96 3.88 -0.10 2.79 -0.14 -1.26 -1.28 119.74 126.58 3gfg s LYS 15 Ca 0.74 0.42 -0.02 0.00 -1.36 0.00 0.00 55.97 55.74 3gfg s LYS 15 Cb -0.38 -3.75 -0.03 0.00 -1.68 0.00 0.00 37.83 31.99 3gfg s LYS 15 CO 0.32 -0.70 -0.01 0.08 -0.76 0.00 0.00 175.35 174.28 3gfg s VAL 16 N 2.89 4.17 -0.06 3.17 1.01 -0.14 -0.66 120.40 130.77 3gfg s VAL 16 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 3gfg s VAL 16 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3gfg s VAL 16 CO 0.13 0.57 0.04 -0.83 0.00 0.00 0.00 175.10 175.02 3gfg s GLY 17 N -0.52 1.95 -0.18 4.51 0.00 0.32 -1.43 107.32 111.96 3gfg s GLY 17 Ca 0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 3gfg s GLY 17 CO 0.02 -0.61 -0.07 -0.42 0.00 0.00 0.00 173.10 172.03 3gfg s ILE 18 N -1.01 3.34 -0.28 0.90 1.01 -0.35 -0.77 121.20 124.04 3gfg s ILE 18 Ca 0.17 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 3gfg s ILE 18 Cb -0.12 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3gfg s ILE 18 CO 0.06 0.47 0.65 -0.76 0.00 0.00 0.00 174.94 175.36 3gfg s LEU 19 N 0.95 4.10 0.00 2.97 1.43 0.14 -1.08 118.68 127.19 3gfg s LEU 19 Ca -0.01 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3gfg s LEU 19 Cb -0.15 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3gfg s LEU 19 CO 0.00 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3gfg n GLY 20 N 4.27 0.13 2.22 -3.19 0.00 0.26 -1.14 105.19 107.72 3gfg n GLY 20 Ca -0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3gfg n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gfg n TYR 21 N 0.79 1.10 -0.06 1.61 9.36 -1.26 -4.40 117.16 124.29 3gfg n TYR 21 Ca 0.00 -1.71 0.00 0.00 3.32 0.00 0.00 57.90 59.51 3gfg n TYR 21 Cb 0.00 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 3gfg n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gfg n GLY 22 N -0.39 1.14 0.33 2.98 0.00 -1.26 -4.46 105.19 103.53 3gfg n GLY 22 Ca 0.14 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 3gfg n GLY 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gfg h LEU 23 N 0.00 -0.67 0.37 0.99 5.85 -1.96 -1.09 115.31 118.79 3gfg h LEU 23 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3gfg h LEU 23 Cb 0.00 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3gfg h LEU 23 CO 0.00 -0.45 -0.51 0.28 -0.34 0.00 0.00 178.44 177.42 3gfg h SER 24 N -0.83 -1.45 -0.86 1.25 0.02 -1.93 0.99 113.55 110.73 3gfg h SER 24 Ca -0.08 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3gfg h SER 24 Cb 0.62 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3gfg h SER 24 CO 0.13 -0.62 0.46 1.23 -1.14 0.00 0.00 176.83 176.89 3gfg h GLY 25 N -0.91 1.30 0.04 -3.77 0.00 -1.76 -0.29 103.07 97.69 3gfg h GLY 25 Ca -0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3gfg h GLY 25 CO -0.14 0.57 -1.96 -1.14 0.00 0.00 0.00 176.54 173.87 3gfg n SER 26 N -4.33 0.03 -0.08 0.19 3.41 -0.42 -1.32 113.62 111.11 3gfg n SER 26 Ca 0.09 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 3gfg n SER 26 Cb 0.11 1.94 -0.06 0.00 -0.26 0.00 0.00 64.21 65.93 3gfg n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gfg n VAL 27 N -2.28 0.88 0.68 -3.33 0.31 0.33 -4.37 118.33 110.54 3gfg n VAL 27 Ca -0.04 -0.26 0.12 0.00 -0.01 0.00 0.00 64.34 64.15 3gfg n VAL 27 Cb 0.57 -1.53 0.14 0.00 -0.91 0.00 0.00 33.84 32.12 3gfg n VAL 27 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gfg n PHE 28 N -3.50 0.33 0.05 3.52 3.72 -0.22 -4.43 117.46 116.93 3gfg n PHE 28 Ca -0.30 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3gfg n PHE 28 Cb 0.74 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3gfg n PHE 28 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gfg n HIS 29 N -1.91 -0.23 -0.28 1.38 8.25 -0.60 -4.80 115.22 117.02 3gfg n HIS 29 Ca 0.03 0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 3gfg n HIS 29 Cb 0.41 0.06 0.26 0.00 1.12 0.00 0.00 29.99 31.84 3gfg n HIS 29 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3gfg h GLY 30 N 0.00 1.30 1.96 -1.41 0.00 -1.44 -1.65 103.07 101.83 3gfg h GLY 30 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 3gfg h GLY 30 CO 0.00 -0.28 -0.46 -2.55 0.00 0.00 0.00 176.54 173.25 3gfg h PRO 31 N 0.29 0.05 -0.03 4.80 0.11 -1.77 -1.22 132.00 134.22 3gfg h PRO 31 Ca 0.51 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.42 3gfg h PRO 31 Cb 0.95 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.08 3gfg h PRO 31 CO -0.57 0.50 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.00 3gfg h LEU 32 N 0.04 0.63 -1.59 2.35 3.38 -1.68 -2.63 115.31 115.81 3gfg h LEU 32 Ca -0.00 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 3gfg h LEU 32 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3gfg h LEU 32 CO 0.06 1.26 0.16 -0.07 0.09 0.00 0.00 178.44 179.95 3gfg h LEU 33 N 0.05 0.39 0.70 1.67 3.38 -1.32 -3.08 115.31 117.09 3gfg h LEU 33 Ca -0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3gfg h LEU 33 Cb 1.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3gfg h LEU 33 CO 0.13 0.33 -0.47 -0.78 0.09 0.00 0.00 178.44 177.74 3gfg h ASP 34 N 0.44 -1.19 0.28 -0.43 3.58 -1.06 -3.01 116.42 115.03 3gfg h ASP 34 Ca 0.12 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3gfg h ASP 34 Cb 0.03 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3gfg h ASP 34 CO -0.02 -0.70 0.00 1.33 -2.88 0.00 0.00 179.24 176.98 3gfg n VAL 35 N -5.36 0.68 -3.56 2.25 0.24 -1.01 -4.66 118.33 106.92 3gfg n VAL 35 Ca -0.13 0.17 -0.37 0.00 -2.04 0.00 0.00 64.34 61.97 3gfg n VAL 35 Cb 0.47 -0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 3gfg n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gfg s LEU 36 N -2.62 4.35 0.36 1.34 1.43 -1.14 -4.98 118.68 117.42 3gfg s LEU 36 Ca 0.12 0.68 0.18 0.00 -1.03 0.00 0.00 54.13 54.09 3gfg s LEU 36 Cb 0.09 -2.43 0.58 0.00 0.03 0.00 0.00 46.19 44.46 3gfg s LEU 36 CO 0.21 0.22 1.68 0.44 0.23 0.00 0.00 176.35 179.13 3gfg h ASP 37 N 5.75 0.00 0.16 2.29 3.45 -1.85 -3.22 116.42 122.99 3gfg h ASP 37 Ca -0.47 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 56.98 3gfg h ASP 37 Cb 1.19 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3gfg h ASP 37 CO 0.68 0.39 -0.04 -0.33 -1.57 0.00 0.00 179.24 178.38 3gfg h GLU 38 N 0.00 0.00 -6.60 3.56 3.07 -1.93 -3.44 114.58 109.24 3gfg h GLU 38 Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 3gfg h GLU 38 Cb 0.99 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.62 3gfg h GLU 38 CO 0.05 0.04 -0.86 0.71 -1.40 0.00 0.00 179.01 177.54 3gfg s TYR 39 N -4.35 2.40 -0.08 4.33 2.02 -1.22 0.11 117.35 120.55 3gfg s TYR 39 Ca -0.04 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3gfg s TYR 39 Cb 0.14 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 3gfg s TYR 39 CO 0.53 0.06 -0.14 -1.14 -1.57 0.00 0.00 175.55 173.29 3gfg s GLN 40 N -0.86 1.99 -0.58 -0.62 0.74 -0.41 -4.87 119.66 115.05 3gfg s GLN 40 Ca 0.11 -0.50 -0.25 0.00 0.05 0.00 0.00 55.36 54.77 3gfg s GLN 40 Cb -0.10 -1.64 0.04 0.00 1.10 0.00 0.00 33.01 32.41 3gfg s GLN 40 CO 0.01 0.02 1.02 0.42 -0.55 0.00 0.00 175.29 176.20 3gfg s ILE 41 N 0.73 4.26 -0.15 -2.34 1.09 -1.26 -0.96 121.20 122.57 3gfg s ILE 41 Ca -0.13 0.35 -0.26 0.00 -1.10 0.00 0.00 60.65 59.50 3gfg s ILE 41 Cb -0.16 -4.62 -0.24 0.00 -1.06 0.00 0.00 42.46 36.39 3gfg s ILE 41 CO 0.03 -1.24 0.62 0.28 -0.10 0.00 0.00 174.94 174.53 3gfg h SER 42 N 9.43 0.00 -4.76 3.58 0.02 -1.61 -3.37 113.55 116.85 3gfg h SER 42 Ca -0.26 -0.86 -0.22 0.00 -0.84 0.00 0.00 61.79 59.60 3gfg h SER 42 Cb 1.07 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.39 3gfg h SER 42 CO 1.13 1.09 -0.72 -0.54 -1.14 0.00 0.00 176.83 176.65 3gfg s LYS 43 N -2.23 0.38 -0.06 3.45 1.02 -1.13 -0.22 119.74 120.94 3gfg s LYS 43 Ca -0.21 -0.61 -0.00 0.00 0.02 0.00 0.00 55.97 55.18 3gfg s LYS 43 Cb -0.01 -0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 3gfg s LYS 43 CO 0.65 0.00 -0.02 0.42 -0.92 0.00 0.00 175.35 175.48 3gfg s ILE 44 N -1.26 0.46 -0.42 2.17 1.01 -0.56 -1.21 121.20 121.39 3gfg s ILE 44 Ca -0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 3gfg s ILE 44 Cb -0.09 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3gfg s ILE 44 CO -0.00 0.24 0.74 -0.32 0.00 0.00 0.00 174.94 175.60 3gfg s MET 45 N 1.43 3.49 -0.22 2.79 -2.45 -0.24 -1.13 119.30 122.97 3gfg s MET 45 Ca -0.03 -0.04 -0.29 0.00 -1.25 0.00 0.00 55.69 54.08 3gfg s MET 45 Cb -0.13 -3.90 0.16 0.00 1.25 0.00 0.00 34.83 32.21 3gfg s MET 45 CO -0.03 -1.00 1.16 -0.08 1.05 0.00 0.00 175.02 176.12 3gfg s THR 46 N 3.11 0.00 -2.20 10.11 -1.32 -1.01 -0.58 115.64 123.75 3gfg s THR 46 Ca 0.28 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.05 3gfg s THR 46 Cb -0.13 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.44 3gfg s THR 46 CO 0.20 0.00 1.84 -1.54 -2.21 0.00 0.00 174.62 172.91 3gfg n SER 47 N 0.77 1.00 -3.45 8.08 3.41 -1.26 -4.38 113.62 117.79 3gfg n SER 47 Ca -0.06 -1.21 -0.40 0.00 -0.26 0.00 0.00 58.87 56.94 3gfg n SER 47 Cb 0.58 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 3gfg n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gfg n ARG 48 N -0.31 3.93 -0.09 4.33 1.74 -1.26 -4.75 116.66 120.24 3gfg n ARG 48 Ca 0.19 -2.77 -0.07 0.00 -0.77 0.00 0.00 57.85 54.43 3gfg n ARG 48 Cb 0.29 -2.80 0.01 0.00 -1.02 0.00 0.00 32.46 28.94 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gfg h THR 49 N 3.02 0.91 0.00 0.55 2.02 -2.00 -2.45 112.91 114.96 3gfg h THR 49 Ca 0.75 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.75 3gfg h THR 49 Cb 0.35 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3gfg h THR 49 CO 1.68 0.05 -0.45 -0.33 0.37 0.00 0.00 175.52 176.83 3gfg h GLU 50 N 0.26 0.00 -0.31 6.66 4.39 -1.97 -1.85 114.58 121.76 3gfg h GLU 50 Ca 0.15 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3gfg h GLU 50 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3gfg h GLU 50 CO -0.15 0.45 -0.34 0.93 -1.16 0.00 0.00 179.01 178.75 3gfg h GLU 51 N 0.00 0.69 -0.01 2.33 3.07 -1.84 -1.86 114.58 116.96 3gfg h GLU 51 Ca -0.00 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3gfg h GLU 51 Cb 0.95 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3gfg h GLU 51 CO 0.06 0.93 -0.01 0.28 -1.40 0.00 0.00 179.01 178.86 3gfg h VAL 52 N 0.58 1.46 -1.03 3.13 2.07 -1.27 -2.26 116.25 118.92 3gfg h VAL 52 Ca 0.06 -1.36 0.27 0.00 0.82 0.00 0.00 66.70 66.49 3gfg h VAL 52 Cb 0.86 2.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3gfg h VAL 52 CO 0.07 0.36 0.69 0.50 0.02 0.00 0.00 177.57 179.21 3gfg h LYS 53 N -0.54 0.28 0.00 1.57 3.64 -1.29 0.39 116.57 120.61 3gfg h LYS 53 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3gfg h LYS 53 Cb 0.59 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3gfg h LYS 53 CO 0.00 0.18 -0.64 0.00 -2.27 0.00 0.00 179.45 176.72 3gfg h ARG 54 N 0.28 0.00 0.02 1.90 3.08 -1.27 -3.34 114.38 115.05 3gfg h ARG 54 Ca 0.56 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.27 3gfg h ARG 54 Cb 1.62 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.62 3gfg h ARG 54 CO -0.20 0.42 -1.85 -0.25 -1.07 0.00 0.00 179.97 177.02 3gfg n ASP 55 N -3.14 1.95 -3.83 7.04 8.00 0.54 -4.75 116.55 122.35 3gfg n ASP 55 Ca 0.00 0.31 -0.29 0.00 0.71 0.00 0.00 54.79 55.53 3gfg n ASP 55 Cb 0.73 -0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 40.85 3gfg n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gfg s PHE 56 N -2.45 2.99 0.65 1.24 0.08 0.10 -4.97 117.98 115.63 3gfg s PHE 56 Ca -0.31 -3.07 0.37 0.00 0.12 0.00 0.00 56.93 54.04 3gfg s PHE 56 Cb 0.09 -2.44 2.04 0.00 -0.57 0.00 0.00 43.02 42.13 3gfg s PHE 56 CO 0.60 -0.66 2.18 -1.35 -0.10 0.00 0.00 175.22 175.89 3gfg h PRO 57 N 5.89 0.00 0.00 0.24 0.11 -1.74 -1.57 132.00 134.94 3gfg h PRO 57 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3gfg h PRO 57 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3gfg h PRO 57 CO 0.64 0.00 -1.73 -0.25 -0.21 0.00 0.00 178.00 176.45 3gfg n ASP 58 N -3.17 0.26 -4.76 -2.05 8.00 -1.26 -4.94 116.55 108.63 3gfg n ASP 58 Ca -0.02 -0.26 -0.39 0.00 0.71 0.00 0.00 54.79 54.84 3gfg n ASP 58 Cb 0.21 1.73 0.02 0.00 -0.02 0.00 0.00 41.12 43.06 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfg s ALA 59 N -3.38 3.02 -0.13 2.24 0.00 -0.59 -4.98 121.76 117.93 3gfg s ALA 59 Ca -0.04 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 3gfg s ALA 59 Cb 0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3gfg s ALA 59 CO 0.90 -1.10 0.41 -2.00 0.00 0.00 0.00 175.76 173.97 3gfg s GLU 60 N -2.65 4.31 -0.01 0.00 2.12 0.69 -4.92 118.70 118.24 3gfg s GLU 60 Ca 0.65 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 56.10 3gfg s GLU 60 Cb -0.38 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 3gfg s GLU 60 CO 0.47 0.18 0.59 0.08 -0.54 0.00 0.00 175.26 176.04 3gfg s VAL 61 N 0.57 4.94 0.24 3.70 1.01 -1.26 -1.49 120.40 128.10 3gfg s VAL 61 Ca 0.23 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.49 3gfg s VAL 61 Cb -0.14 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3gfg s VAL 61 CO 0.08 0.41 -0.07 0.68 0.00 0.00 0.00 175.10 176.20 3gfg s VAL 62 N -0.12 1.45 -0.01 2.92 -7.23 -0.28 -4.93 120.40 112.21 3gfg s VAL 62 Ca 0.31 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3gfg s VAL 62 Cb -0.18 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 3gfg s VAL 62 CO 0.17 -0.41 0.01 1.41 -0.31 0.00 0.00 175.10 175.96 3gfg n HIS 63 N -0.46 0.00 -5.00 2.82 8.25 -1.26 -2.40 115.22 117.17 3gfg n HIS 63 Ca -0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.08 3gfg n HIS 63 Cb 0.63 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.59 3gfg n HIS 63 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3gfg s GLU 64 N -1.45 2.25 0.22 -0.41 2.56 -1.26 -4.92 118.70 115.69 3gfg s GLU 64 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.97 54.03 3gfg s GLU 64 Cb 0.00 -2.20 0.35 0.00 2.00 0.00 0.00 34.13 34.27 3gfg s GLU 64 CO 0.01 0.58 1.67 1.25 -0.56 0.00 0.00 175.26 178.21 3gfg h LEU 65 N 5.22 -0.17 -2.49 2.70 5.85 -2.01 -2.70 115.31 121.72 3gfg h LEU 65 Ca -0.45 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3gfg h LEU 65 Cb 1.14 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3gfg h LEU 65 CO 0.48 -0.08 0.14 -0.33 -0.34 0.00 0.00 178.44 178.31 3gfg h GLU 66 N 0.17 0.00 0.00 1.25 3.07 -1.98 -0.29 114.58 116.80 3gfg h GLU 66 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3gfg h GLU 66 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3gfg h GLU 66 CO -0.52 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.02 3gfg h GLU 67 N 0.00 0.00 0.02 2.33 5.08 -1.90 -2.25 114.58 117.86 3gfg h GLU 67 Ca 0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 3gfg h GLU 67 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3gfg h GLU 67 CO -0.00 0.00 -1.85 -0.89 -1.00 0.00 0.00 179.01 175.27 3gfg n ILE 68 N -3.03 1.57 0.06 3.13 2.08 -0.14 -4.22 119.36 118.81 3gfg n ILE 68 Ca -0.00 -0.28 -0.06 0.00 0.56 0.00 0.00 62.75 62.97 3gfg n ILE 68 Cb 0.25 -1.89 0.12 0.00 -0.75 0.00 0.00 39.64 37.36 3gfg n ILE 68 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3gfg h THR 69 N -0.74 1.35 -0.01 1.39 1.35 -1.56 -2.85 112.91 111.84 3gfg h THR 69 Ca -0.48 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3gfg h THR 69 Cb 1.56 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 3gfg h THR 69 CO -0.22 0.56 -0.01 0.59 -0.25 0.00 0.00 175.52 176.19 3gfg n ASN 70 N -3.92 0.99 -4.62 5.36 3.02 -0.85 -4.75 115.26 110.49 3gfg n ASN 70 Ca -0.02 -1.29 -0.43 0.00 -0.03 0.00 0.00 54.58 52.81 3gfg n ASN 70 Cb 0.59 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gfg s ASP 71 N -2.04 6.60 0.50 6.41 -1.08 -1.08 -4.91 116.67 121.08 3gfg s ASP 71 Ca 0.40 0.92 0.27 0.00 -0.52 0.00 0.00 52.55 53.62 3gfg s ASP 71 Cb 0.21 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.44 3gfg s ASP 71 CO 0.36 -1.19 2.00 1.55 0.52 0.00 0.00 175.17 178.41 3gfg h PRO 72 N 9.51 0.00 0.00 4.34 0.13 -1.87 -3.03 132.00 141.08 3gfg h PRO 72 Ca -0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 3gfg h PRO 72 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3gfg h PRO 72 CO 1.07 0.15 -0.37 0.00 -0.23 0.00 0.00 178.00 178.61 3gfg h ALA 73 N 1.85 0.79 -2.54 -0.56 0.00 -1.94 -3.45 119.26 113.41 3gfg h ALA 73 Ca -0.00 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.04 3gfg h ALA 73 Cb 0.46 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3gfg h ALA 73 CO 0.02 0.47 0.84 0.42 0.00 0.00 0.00 179.25 180.99 3gfg s ILE 74 N -3.12 3.03 -0.20 0.00 -1.09 -1.15 -4.64 121.20 114.02 3gfg s ILE 74 Ca 0.04 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 3gfg s ILE 74 Cb 0.08 -3.44 -0.13 0.00 -1.58 0.00 0.00 42.46 37.39 3gfg s ILE 74 CO 0.71 0.04 -0.18 -0.62 -1.23 0.00 0.00 174.94 173.66 3gfg n GLU 75 N 4.34 0.51 -4.48 2.79 1.02 0.16 -4.90 120.64 120.08 3gfg n GLU 75 Ca 0.13 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.16 3gfg n GLU 75 Cb 0.41 -1.40 -0.16 0.00 -0.02 0.00 0.00 31.44 30.26 3gfg n GLU 75 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gfg s LEU 76 N -6.23 1.57 -0.10 -4.62 2.96 -0.92 -1.25 118.68 110.10 3gfg s LEU 76 Ca -0.28 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3gfg s LEU 76 Cb 0.07 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3gfg s LEU 76 CO 0.47 0.01 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.72 3gfg s VAL 77 N 0.71 3.42 -0.31 1.68 1.01 -0.35 -0.52 120.40 126.04 3gfg s VAL 77 Ca -0.14 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3gfg s VAL 77 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3gfg s VAL 77 CO 0.03 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.25 3gfg s ILE 78 N -0.22 5.03 -0.72 2.22 -1.09 0.05 -1.41 121.20 125.06 3gfg s ILE 78 Ca 0.02 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.06 3gfg s ILE 78 Cb -0.13 -3.53 0.13 0.00 -1.58 0.00 0.00 42.46 37.35 3gfg s ILE 78 CO 0.03 0.08 0.84 -0.69 -1.23 0.00 0.00 174.94 173.97 3gfg s VAL 79 N 1.69 4.90 -0.62 2.92 1.01 0.88 0.29 120.40 131.47 3gfg s VAL 79 Ca 0.06 -1.35 0.12 0.00 0.00 0.00 0.00 61.98 60.81 3gfg s VAL 79 Cb -0.17 -4.57 0.35 0.00 0.00 0.00 0.00 36.38 31.99 3gfg s VAL 79 CO 0.09 -1.23 1.28 0.35 0.00 0.00 0.00 175.10 175.59 3gfg n THR 80 N 5.29 1.40 -0.86 3.92 -2.24 -0.30 -1.60 114.28 119.89 3gfg n THR 80 Ca 0.03 -1.29 -0.30 0.00 -2.27 0.00 0.00 64.05 60.22 3gfg n THR 80 Cb 0.45 0.26 0.25 0.00 -2.10 0.00 0.00 70.33 69.19 3gfg n THR 80 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gfg s THR 81 N -1.58 1.54 0.58 4.28 -4.23 -1.18 -4.68 115.64 110.38 3gfg s THR 81 Ca 0.27 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.61 3gfg s THR 81 Cb 0.18 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 3gfg s THR 81 CO 0.12 0.00 1.09 -2.84 -0.54 0.00 0.00 174.62 172.45 3gfg s PRO 82 N -5.23 3.27 0.08 3.99 0.02 -1.26 -4.85 135.00 131.03 3gfg s PRO 82 Ca 0.70 1.42 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 3gfg s PRO 82 Cb -0.12 -2.01 0.11 0.00 0.02 0.00 0.00 34.50 32.49 3gfg s PRO 82 CO 0.57 -0.88 0.51 0.43 -0.33 0.00 0.00 177.00 177.30 3gfg n SER 83 N -1.72 -0.18 0.00 2.53 7.64 -1.26 -1.08 113.62 119.55 3gfg n SER 83 Ca 0.10 0.57 0.10 0.00 1.01 0.00 0.00 58.87 60.65 3gfg n SER 83 Cb 0.52 -0.15 0.49 0.00 -1.01 0.00 0.00 64.21 64.07 3gfg n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gfg n GLY 84 N -1.17 -1.00 0.12 0.23 0.00 -1.26 -2.00 105.19 100.11 3gfg n GLY 84 Ca 0.04 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3gfg n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfg n LEU 85 N -1.33 1.02 -0.06 0.99 4.32 -0.24 -4.67 117.00 117.02 3gfg n LEU 85 Ca 0.09 -0.59 -0.07 0.00 -0.02 0.00 0.00 56.01 55.42 3gfg n LEU 85 Cb 0.18 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.97 3gfg n LEU 85 CO 0.16 0.22 0.78 0.45 -1.22 0.00 0.00 177.39 177.78 3gfg h HIS 86 N 0.60 -0.29 0.27 -1.77 3.86 -1.40 -0.67 115.15 115.75 3gfg h HIS 86 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3gfg h HIS 86 Cb 0.43 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3gfg h HIS 86 CO 0.00 -0.19 -0.13 -0.92 0.86 0.00 0.00 177.93 177.55 3gfg h TYR 87 N -0.08 -0.34 -0.22 2.45 3.20 -1.83 0.76 116.97 120.90 3gfg h TYR 87 Ca 0.14 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 3gfg h TYR 87 Cb 0.29 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3gfg h TYR 87 CO -0.31 -0.15 -0.40 1.05 -1.64 0.00 0.00 178.16 176.71 3gfg h GLU 88 N -0.45 0.51 -0.19 1.82 4.11 -1.86 -0.11 114.58 118.41 3gfg h GLU 88 Ca -0.04 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.12 3gfg h GLU 88 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3gfg h GLU 88 CO 0.06 0.82 0.03 0.45 0.07 0.00 0.00 179.01 180.44 3gfg h HIS 89 N 0.42 0.34 -0.53 2.06 3.86 -1.06 -2.72 115.15 117.53 3gfg h HIS 89 Ca 0.04 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 3gfg h HIS 89 Cb 0.88 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 3gfg h HIS 89 CO 0.03 0.48 0.03 1.15 0.86 0.00 0.00 177.93 180.49 3gfg h THR 90 N 0.11 1.26 -0.84 2.45 2.02 -0.62 -2.77 112.91 114.52 3gfg h THR 90 Ca 0.06 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3gfg h THR 90 Cb 0.33 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3gfg h THR 90 CO 0.00 0.37 0.40 -0.03 0.37 0.00 0.00 175.52 176.64 3gfg h MET 91 N 0.79 1.21 -0.40 6.66 -1.53 -1.04 0.06 114.93 120.68 3gfg h MET 91 Ca 0.15 -0.18 -0.08 0.00 -3.44 0.00 0.00 59.70 56.16 3gfg h MET 91 Cb 0.48 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 31.30 3gfg h MET 91 CO 0.02 0.93 -0.06 0.00 0.14 0.00 0.00 176.91 177.93 3gfg h ALA 92 N 1.22 1.13 0.07 0.39 0.00 -1.42 0.46 119.26 121.11 3gfg h ALA 92 Ca 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gfg h ALA 92 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gfg h ALA 92 CO -0.04 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 3gfg h ILE 94 N -0.30 0.80 0.00 0.00 2.04 -0.65 -2.07 117.51 117.32 3gfg h ILE 94 Ca -0.01 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3gfg h ILE 94 Cb 0.26 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3gfg h ILE 94 CO 0.02 0.04 -0.01 1.56 0.00 0.00 0.00 178.15 179.76 3gfg h GLN 95 N 0.24 0.00 -0.49 2.37 1.08 -0.02 -0.75 115.11 117.53 3gfg h GLN 95 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3gfg h GLN 95 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3gfg h GLN 95 CO -0.25 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.63 3gfg n ALA 96 N -2.10 2.81 -1.57 3.87 0.00 -0.82 -4.98 120.51 117.72 3gfg n ALA 96 Ca -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 53.44 51.75 3gfg n ALA 96 Cb 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3gfg n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfg n GLY 97 N 0.63 0.47 3.92 0.00 0.00 -0.29 -4.98 105.19 104.94 3gfg n GLY 97 Ca 0.21 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 3gfg n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gfg s LYS 98 N -3.24 3.50 0.49 1.61 -0.14 -0.95 -4.97 119.74 116.04 3gfg s LYS 98 Ca 0.00 -0.37 -0.18 0.00 -1.36 0.00 0.00 55.97 54.06 3gfg s LYS 98 Cb 0.00 -2.94 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 3gfg s LYS 98 CO 0.00 0.52 0.98 -1.01 -0.76 0.00 0.00 175.35 175.08 3gfg s HIS 99 N -1.66 3.34 -0.02 3.18 3.76 -0.38 -4.37 115.29 119.14 3gfg s HIS 99 Ca 0.37 1.52 0.01 0.00 -0.15 0.00 0.00 55.06 56.81 3gfg s HIS 99 Cb -0.12 -2.85 0.01 0.00 1.11 0.00 0.00 32.58 30.73 3gfg s HIS 99 CO 0.28 -0.39 -0.04 0.08 -0.85 0.00 0.00 174.74 173.82 3gfg s VAL 100 N -2.43 0.38 -0.21 -0.90 1.01 -0.55 -1.21 120.40 116.49 3gfg s VAL 100 Ca 0.61 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3gfg s VAL 100 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3gfg s VAL 100 CO 0.25 0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 3gfg s VAL 101 N 0.41 3.63 -0.17 2.92 1.01 -0.50 -1.40 120.40 126.29 3gfg s VAL 101 Ca -0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3gfg s VAL 101 Cb -0.08 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3gfg s VAL 101 CO -0.00 0.43 0.19 -0.04 0.00 0.00 0.00 175.10 175.67 3gfg s MET 102 N 1.23 4.13 0.70 2.72 1.00 -0.36 -0.08 119.30 128.64 3gfg s MET 102 Ca 0.03 -0.09 -0.17 0.00 0.00 0.00 0.00 55.69 55.46 3gfg s MET 102 Cb -0.14 -3.39 0.02 0.00 0.00 0.00 0.00 34.83 31.31 3gfg s MET 102 CO -0.00 0.34 1.24 0.39 0.00 0.00 0.00 175.02 176.98 3gfg n GLU 103 N 3.34 0.81 -2.36 2.03 -0.58 -0.63 0.14 120.64 123.39 3gfg n GLU 103 Ca -0.15 0.34 -0.28 0.00 -0.42 0.00 0.00 57.16 56.64 3gfg n GLU 103 Cb 0.52 -2.48 0.01 0.00 -0.57 0.00 0.00 31.44 28.93 3gfg n GLU 103 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3gfg s LYS 104 N -3.56 3.45 0.43 3.49 0.00 -1.26 -3.99 119.74 118.30 3gfg s LYS 104 Ca 0.79 0.34 -0.24 0.00 0.00 0.00 0.00 55.97 56.86 3gfg s LYS 104 Cb -0.35 -2.26 -0.08 0.00 0.00 0.00 0.00 37.83 35.13 3gfg s LYS 104 CO 0.44 -0.41 1.17 -1.25 0.00 0.00 0.00 175.35 175.30 3gfg s PRO 105 N -4.93 3.88 0.00 1.78 0.04 -1.26 -4.96 135.00 129.56 3gfg s PRO 105 Ca 0.51 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3gfg s PRO 105 Cb -0.11 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3gfg s PRO 105 CO 0.48 -0.46 0.96 -0.12 0.04 0.00 0.00 177.00 177.90 3gfg n MET 106 N -0.24 0.00 -4.08 4.56 1.56 -1.26 -4.89 117.12 112.78 3gfg n MET 106 Ca 0.06 0.74 -0.13 0.00 -0.27 0.00 0.00 57.70 58.09 3gfg n MET 106 Cb 0.47 -1.46 -0.05 0.00 2.15 0.00 0.00 33.22 34.33 3gfg n MET 106 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gfg s THR 107 N -2.84 0.00 0.04 1.12 -4.23 -1.26 -4.71 115.64 103.75 3gfg s THR 107 Ca 0.00 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 58.75 3gfg s THR 107 Cb 0.00 -2.55 -0.26 0.00 1.34 0.00 0.00 72.50 71.03 3gfg s THR 107 CO 0.00 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.19 3gfg h ALA 108 N 2.18 0.05 -2.99 3.99 0.00 -1.91 -3.47 119.26 117.10 3gfg h ALA 108 Ca -0.28 -0.69 -0.64 0.00 0.00 0.00 0.00 54.91 53.30 3gfg h ALA 108 Cb 1.24 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 3gfg h ALA 108 CO 0.39 0.56 -0.77 0.95 0.00 0.00 0.00 179.25 180.39 3gfg s THR 109 N -3.10 2.76 0.26 0.00 -4.23 -1.26 -4.92 115.64 105.15 3gfg s THR 109 Ca -0.11 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3gfg s THR 109 Cb 0.05 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.78 3gfg s THR 109 CO 0.89 -0.15 1.93 0.00 -0.54 0.00 0.00 174.62 176.75 3gfg h ALA 110 N 2.95 1.30 -0.27 3.99 0.00 -1.89 -3.04 119.26 122.30 3gfg h ALA 110 Ca -0.46 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3gfg h ALA 110 Cb 1.21 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3gfg h ALA 110 CO 0.52 0.63 -0.13 0.93 0.00 0.00 0.00 179.25 181.20 3gfg h GLU 111 N 1.27 0.45 -0.50 0.00 4.39 -1.97 0.08 114.58 118.30 3gfg h GLU 111 Ca 0.34 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 3gfg h GLU 111 Cb -0.12 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3gfg h GLU 111 CO -0.07 0.59 0.14 0.93 -1.16 0.00 0.00 179.01 179.44 3gfg h GLU 112 N 0.42 0.79 -0.30 2.33 5.08 -1.96 -1.61 114.58 119.34 3gfg h GLU 112 Ca 0.08 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3gfg h GLU 112 Cb 0.49 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 3gfg h GLU 112 CO 0.03 0.75 -0.22 0.78 -1.00 0.00 0.00 179.01 179.35 3gfg h GLY 113 N 0.69 -0.06 1.32 -3.84 0.00 -1.00 -1.01 103.07 99.17 3gfg h GLY 113 Ca 0.16 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 3gfg h GLY 113 CO -0.00 -0.19 0.28 0.83 0.00 0.00 0.00 176.54 177.45 3gfg h GLU 114 N -0.20 0.88 -0.41 4.80 4.39 -0.88 0.11 114.58 123.27 3gfg h GLU 114 Ca 0.16 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3gfg h GLU 114 Cb 0.44 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3gfg h GLU 114 CO -0.41 0.69 0.04 1.15 -1.16 0.00 0.00 179.01 179.32 3gfg h THR 115 N 0.87 1.25 -0.14 1.13 2.02 -0.91 0.61 112.91 117.74 3gfg h THR 115 Ca 0.21 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3gfg h THR 115 Cb 0.12 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3gfg h THR 115 CO -0.03 0.32 0.07 -0.07 0.37 0.00 0.00 175.52 176.19 3gfg h LEU 116 N 0.54 0.18 -0.70 2.58 3.38 -0.65 -2.09 115.31 118.54 3gfg h LEU 116 Ca 0.12 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3gfg h LEU 116 Cb 0.41 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3gfg h LEU 116 CO 0.01 0.22 0.29 0.50 0.09 0.00 0.00 178.44 179.56 3gfg h LYS 117 N 0.12 0.45 -0.30 1.13 3.64 -0.67 -1.18 116.57 119.76 3gfg h LYS 117 Ca 0.05 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3gfg h LYS 117 Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3gfg h LYS 117 CO -0.01 0.30 -0.09 0.00 -2.27 0.00 0.00 179.45 177.38 3gfg h ARG 118 N 0.47 0.59 -0.48 1.90 3.08 -0.65 -2.20 114.38 117.09 3gfg h ARG 118 Ca 0.37 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3gfg h ARG 118 Cb 0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3gfg h ARG 118 CO -0.35 0.79 0.28 0.00 -1.07 0.00 0.00 179.97 179.63 3gfg h ALA 119 N 0.78 0.61 -0.62 0.04 0.00 -1.24 0.29 119.26 119.13 3gfg h ALA 119 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gfg h ALA 119 Cb 0.58 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3gfg h ALA 119 CO 0.03 -0.02 0.35 0.00 0.00 0.00 0.00 179.25 179.61 3gfg h ALA 120 N 1.21 0.81 0.37 0.00 0.00 -1.04 0.51 119.26 121.11 3gfg h ALA 120 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3gfg h ALA 120 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gfg h ALA 120 CO -0.09 0.04 -0.22 -0.44 0.00 0.00 0.00 179.25 178.54 3gfg h ASP 121 N 0.66 -0.56 -0.84 0.00 3.32 -1.03 0.77 116.42 118.74 3gfg h ASP 121 Ca 0.27 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.50 3gfg h ASP 121 Cb 0.12 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.74 3gfg h ASP 121 CO -0.15 -0.36 0.42 -0.33 -1.72 0.00 0.00 179.24 177.10 3gfg h GLU 122 N -0.57 0.58 -0.00 3.56 4.39 -0.52 -1.13 114.58 120.89 3gfg h GLU 122 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3gfg h GLU 122 Cb 0.47 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3gfg h GLU 122 CO 0.04 0.39 -0.25 1.17 -1.16 0.00 0.00 179.01 179.20 3gfg n LYS 123 N -4.89 0.30 -3.20 2.33 3.00 0.13 -4.96 118.16 110.88 3gfg n LYS 123 Ca 0.17 -0.13 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 3gfg n LYS 123 Cb 0.43 -1.50 0.06 0.00 0.00 0.00 0.00 35.03 34.03 3gfg n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gfg n GLY 124 N 1.42 -0.14 3.42 3.14 0.00 -0.03 -4.94 105.19 108.06 3gfg n GLY 124 Ca 0.09 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3gfg n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gfg s VAL 125 N -3.24 2.19 -0.07 1.61 -7.23 0.06 -5.03 120.40 108.69 3gfg s VAL 125 Ca 0.26 -2.28 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 3gfg s VAL 125 Cb -0.11 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3gfg s VAL 125 CO 0.53 -0.43 0.54 -0.76 -0.31 0.00 0.00 175.10 174.67 3gfg s LEU 126 N -3.32 4.33 -0.21 1.32 1.43 -1.26 -4.49 118.68 116.48 3gfg s LEU 126 Ca 0.26 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 3gfg s LEU 126 Cb -0.04 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.40 3gfg s LEU 126 CO 0.11 0.03 -0.15 -0.22 0.23 0.00 0.00 176.35 176.35 3gfg s LEU 127 N 0.34 2.54 0.20 1.79 2.96 -1.26 -1.48 118.68 123.77 3gfg s LEU 127 Ca 0.29 -0.91 0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3gfg s LEU 127 Cb -0.16 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3gfg s LEU 127 CO 0.14 -0.09 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.36 3gfg s SER 128 N 1.26 2.76 -0.05 3.68 0.15 -0.50 -2.93 113.70 118.07 3gfg s SER 128 Ca -0.00 -0.96 0.05 0.00 0.70 0.00 0.00 55.95 55.74 3gfg s SER 128 Cb -0.16 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 3gfg s SER 128 CO -0.10 -0.09 -0.18 -0.69 1.20 0.00 0.00 173.24 173.39 3gfg s VAL 129 N -2.53 2.71 -1.48 4.45 1.01 -1.25 -1.23 120.40 122.09 3gfg s VAL 129 Ca 0.21 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3gfg s VAL 129 Cb -0.03 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3gfg s VAL 129 CO 0.08 0.58 2.43 0.00 0.00 0.00 0.00 175.10 178.19 3gfg n TYR 130 N 2.44 3.13 -2.12 5.22 9.36 0.38 -4.75 117.16 130.83 3gfg n TYR 130 Ca -0.17 -2.96 -0.42 0.00 3.32 0.00 0.00 57.90 57.67 3gfg n TYR 130 Cb 0.52 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3gfg n TYR 130 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3gfg n HIS 131 N 5.41 3.10 1.82 2.98 8.25 -1.26 -4.38 115.22 131.14 3gfg n HIS 131 Ca 0.59 -2.85 0.15 0.00 -0.26 0.00 0.00 57.72 55.36 3gfg n HIS 131 Cb 0.34 -2.14 0.88 0.00 1.12 0.00 0.00 29.99 30.19 3gfg n HIS 131 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3gfg n ASN 132 N 4.51 0.00 0.00 0.41 6.94 -1.26 -3.27 115.26 122.59 3gfg n ASN 132 Ca 0.45 -0.78 0.14 0.00 -0.02 0.00 0.00 54.58 54.36 3gfg n ASN 132 Cb 0.37 -0.06 0.74 0.00 -2.36 0.00 0.00 39.78 38.46 3gfg n ASN 132 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gfg n ARG 133 N -1.06 0.55 0.00 -3.83 3.00 -1.26 -1.37 116.66 112.69 3gfg n ARG 133 Ca 0.21 0.02 0.08 0.00 -0.01 0.00 0.00 57.85 58.15 3gfg n ARG 133 Cb 0.13 -1.50 0.37 0.00 0.00 0.00 0.00 32.46 31.47 3gfg n ARG 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gfg n ARG 134 N -1.19 0.10 -0.35 5.56 1.74 -1.20 -2.57 116.66 118.74 3gfg n ARG 134 Ca 0.16 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.49 3gfg n ARG 134 Cb 0.18 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.31 3gfg n ARG 134 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3gfg n TRP 135 N -1.41 0.34 -2.60 -1.55 8.01 -0.47 -4.59 117.44 115.17 3gfg n TRP 135 Ca 0.06 -1.15 -0.34 0.00 -1.31 0.00 0.00 57.50 54.75 3gfg n TRP 135 Cb 0.16 -0.25 -0.04 0.00 -2.01 0.00 0.00 31.31 29.17 3gfg n TRP 135 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3gfg s ASP 136 N -2.71 6.48 0.13 -0.99 1.11 -1.06 -1.26 116.67 118.37 3gfg s ASP 136 Ca 0.37 1.88 -0.20 0.00 0.18 0.00 0.00 52.55 54.78 3gfg s ASP 136 Cb 0.33 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.73 3gfg s ASP 136 CO 0.02 -0.68 1.71 -0.55 1.18 0.00 0.00 175.17 176.84 3gfg h ASN 137 N 1.67 -0.18 -0.79 0.27 7.08 -1.83 -0.66 115.58 121.13 3gfg h ASN 137 Ca -0.49 0.06 0.02 0.00 -3.08 0.00 0.00 56.30 52.81 3gfg h ASN 137 Cb 1.21 0.12 -0.04 0.00 -2.08 0.00 0.00 38.32 37.53 3gfg h ASN 137 CO 0.60 -0.07 0.51 -2.24 -2.08 0.00 0.00 177.43 174.15 3gfg h ASP 138 N -0.01 0.85 0.37 6.14 3.04 -1.94 -1.31 116.42 123.56 3gfg h ASP 138 Ca 0.09 -0.01 -0.18 0.00 -3.24 0.00 0.00 57.03 53.69 3gfg h ASP 138 Cb 0.14 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.23 3gfg h ASP 138 CO -0.19 0.60 -0.74 0.15 -2.04 0.00 0.00 179.24 177.01 3gfg h PHE 139 N 1.00 0.43 -0.25 4.15 3.57 -1.80 -1.44 116.94 122.60 3gfg h PHE 139 Ca 0.31 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3gfg h PHE 139 Cb -0.03 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3gfg h PHE 139 CO -0.03 0.94 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.84 3gfg h LEU 140 N 0.21 0.38 -0.25 0.59 3.38 -0.80 -0.23 115.31 118.58 3gfg h LEU 140 Ca -0.03 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3gfg h LEU 140 Cb 1.32 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gfg h LEU 140 CO 0.12 0.52 -0.19 0.74 0.09 0.00 0.00 178.44 179.72 3gfg h THR 141 N 0.38 1.31 0.07 0.22 2.02 -0.66 -1.51 112.91 114.75 3gfg h THR 141 Ca 0.08 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 65.94 3gfg h THR 141 Cb 0.40 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3gfg h THR 141 CO 0.02 0.41 -0.14 0.40 0.37 0.00 0.00 175.52 176.58 3gfg h ILE 142 N 0.28 0.67 -0.80 3.11 2.04 -0.93 0.31 117.51 122.19 3gfg h ILE 142 Ca 0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3gfg h ILE 142 Cb 0.73 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3gfg h ILE 142 CO 0.05 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.83 3gfg h LYS 143 N -0.28 0.64 -0.14 2.37 1.57 -0.92 0.23 116.57 120.04 3gfg h LYS 143 Ca 0.03 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3gfg h LYS 143 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gfg h LYS 143 CO -0.09 0.42 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.74 3gfg h LYS 144 N 0.66 0.42 -0.62 3.15 3.64 -0.64 -1.57 116.57 121.62 3gfg h LYS 144 Ca 0.38 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3gfg h LYS 144 Cb 0.57 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 3gfg h LYS 144 CO -0.15 0.87 0.29 -0.07 -2.27 0.00 0.00 179.45 178.12 3gfg h LEU 145 N 0.03 0.38 -0.34 5.20 3.38 -0.20 -1.58 115.31 122.17 3gfg h LEU 145 Ca 0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3gfg h LEU 145 Cb 0.85 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3gfg h LEU 145 CO 0.06 0.24 0.16 0.40 0.09 0.00 0.00 178.44 179.39 3gfg h ILE 146 N 0.53 0.97 0.00 1.22 2.04 -0.88 -1.46 117.51 119.92 3gfg h ILE 146 Ca 0.29 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3gfg h ILE 146 Cb 0.27 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3gfg h ILE 146 CO -0.23 0.06 -0.07 0.77 0.00 0.00 0.00 178.15 178.68 3gfg h SER 147 N 0.33 0.00 0.28 1.72 4.64 -0.87 -2.84 113.55 116.81 3gfg h SER 147 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3gfg h SER 147 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gfg h SER 147 CO -0.11 0.07 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.21 3gfg n GLU 148 N -3.16 0.82 -1.93 4.77 1.02 -0.63 -4.94 120.64 116.59 3gfg n GLU 148 Ca 0.02 -0.28 -0.03 0.00 -0.02 0.00 0.00 57.16 56.85 3gfg n GLU 148 Cb 0.42 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3gfg n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 149 N 1.24 0.30 0.09 0.62 0.00 -1.07 -4.96 105.19 101.41 3gfg n GLY 149 Ca 0.16 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.44 3gfg n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 150 N 1.51 0.70 -3.83 1.61 7.64 -0.56 -4.61 113.62 116.08 3gfg n SER 150 Ca -0.03 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.84 3gfg n SER 150 Cb 0.47 0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 64.11 3gfg n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gfg s LEU 151 N -5.41 3.67 -0.08 -3.43 1.43 -1.19 -4.69 118.68 108.99 3gfg s LEU 151 Ca -0.03 -3.02 -0.05 0.00 -1.03 0.00 0.00 54.13 50.01 3gfg s LEU 151 Cb 0.10 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3gfg s LEU 151 CO 0.82 -0.22 0.13 -1.61 0.23 0.00 0.00 176.35 175.70 3gfg s GLU 152 N -0.24 3.37 -0.50 1.70 0.41 -1.26 -4.59 118.70 117.59 3gfg s GLU 152 Ca 0.19 -0.23 -0.14 0.00 -0.41 0.00 0.00 54.97 54.39 3gfg s GLU 152 Cb -0.20 -3.11 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 3gfg s GLU 152 CO -0.04 0.74 0.48 -3.47 -0.49 0.00 0.00 175.26 172.48 3gfg n ASP 153 N 1.68 -3.87 -4.72 -0.19 2.03 -1.26 -1.51 116.55 108.72 3gfg n ASP 153 Ca -0.17 -0.47 -0.42 0.00 0.52 0.00 0.00 54.79 54.25 3gfg n ASP 153 Cb 0.54 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.70 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gfg s ILE 154 N -2.01 2.12 -0.12 5.18 1.01 -1.26 -2.79 121.20 123.32 3gfg s ILE 154 Ca 0.13 0.04 0.16 0.00 0.00 0.00 0.00 60.65 60.98 3gfg s ILE 154 Cb -0.01 -3.02 -0.23 0.00 0.01 0.00 0.00 42.46 39.21 3gfg s ILE 154 CO 0.68 0.00 0.15 -0.46 0.00 0.00 0.00 174.94 175.31 3gfg n ASN 155 N 4.24 0.92 -3.81 3.58 0.23 0.18 -4.60 115.26 116.00 3gfg n ASN 155 Ca 0.16 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.06 3gfg n ASN 155 Cb 0.36 1.17 -0.16 0.00 -2.08 0.00 0.00 39.78 39.07 3gfg n ASN 155 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3gfg s THR 156 N -2.65 0.03 -0.27 5.53 2.01 -1.00 -0.61 115.64 118.69 3gfg s THR 156 Ca -0.08 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3gfg s THR 156 Cb 0.07 -0.13 0.09 0.00 0.01 0.00 0.00 72.50 72.54 3gfg s THR 156 CO 0.70 0.09 0.10 -0.47 -0.69 0.00 0.00 174.62 174.35 3gfg s TYR 157 N 0.81 0.86 -0.19 4.92 5.04 -0.18 -0.75 117.35 127.86 3gfg s TYR 157 Ca -0.07 -1.09 -0.01 0.00 -2.44 0.00 0.00 57.07 53.46 3gfg s TYR 157 Cb -0.10 -1.16 0.01 0.00 0.35 0.00 0.00 41.96 41.06 3gfg s TYR 157 CO -0.02 -0.78 -0.14 -0.65 -1.34 0.00 0.00 175.55 172.62 3gfg s GLN 158 N 1.91 3.15 -0.03 4.97 -0.21 0.18 -0.15 119.66 129.49 3gfg s GLN 158 Ca 0.07 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 54.74 3gfg s GLN 158 Cb -0.17 -2.74 -0.00 0.00 1.00 0.00 0.00 33.01 31.10 3gfg s GLN 158 CO -0.26 -0.18 -0.15 0.08 -2.12 0.00 0.00 175.29 172.66 3gfg s VAL 159 N 1.31 1.25 0.02 1.09 1.01 0.52 -0.83 120.40 124.77 3gfg s VAL 159 Ca 0.04 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3gfg s VAL 159 Cb -0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3gfg s VAL 159 CO -0.08 0.36 -0.18 -0.94 0.00 0.00 0.00 175.10 174.26 3gfg s SER 160 N -0.02 2.11 -0.44 3.32 1.04 -0.75 -1.71 113.70 117.26 3gfg s SER 160 Ca -0.01 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.06 3gfg s SER 160 Cb -0.10 -0.20 0.21 0.00 0.10 0.00 0.00 66.02 66.03 3gfg s SER 160 CO 0.01 0.16 0.54 0.00 0.98 0.00 0.00 173.24 174.93 3gfg n TYR 161 N 2.23 -1.67 -3.93 5.02 -0.00 -0.13 -4.68 117.16 113.99 3gfg n TYR 161 Ca -0.16 -2.79 -0.29 0.00 -0.00 0.00 0.00 57.90 54.66 3gfg n TYR 161 Cb 0.54 0.51 -0.04 0.00 -0.00 0.00 0.00 39.34 40.35 3gfg n TYR 161 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3gfg s ASN 162 N -0.39 6.33 0.26 2.98 0.01 -1.26 -4.15 114.94 118.71 3gfg s ASN 162 Ca 0.33 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.72 3gfg s ASN 162 Cb 0.10 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.78 3gfg s ASN 162 CO -0.15 0.13 0.09 0.00 -1.51 0.00 0.00 177.10 175.66 3gfg s ARG 163 N -2.77 1.41 -0.60 -0.60 1.70 -0.46 -4.94 118.95 112.68 3gfg s ARG 163 Ca 0.35 -1.76 -0.01 0.00 -0.47 0.00 0.00 55.73 53.84 3gfg s ARG 163 Cb -0.12 -0.29 0.15 0.00 -0.57 0.00 0.00 34.95 34.13 3gfg s ARG 163 CO 0.28 -0.29 0.40 -0.47 -1.08 0.00 0.00 175.30 174.14 3gfg s TYR 164 N -3.74 3.34 -0.57 5.89 5.04 -1.25 -1.71 117.35 124.35 3gfg s TYR 164 Ca 0.38 -2.88 0.05 0.00 -2.44 0.00 0.00 57.07 52.18 3gfg s TYR 164 Cb 0.08 -3.08 0.19 0.00 0.35 0.00 0.00 41.96 39.50 3gfg s TYR 164 CO 0.14 -0.80 0.49 0.54 -1.34 0.00 0.00 175.55 174.58 3gfg n ARG 165 N 3.31 1.33 0.17 4.97 1.74 0.30 -4.96 116.66 123.52 3gfg n ARG 165 Ca 0.08 -3.99 0.05 0.00 -0.77 0.00 0.00 57.85 53.21 3gfg n ARG 165 Cb 0.36 -1.98 0.48 0.00 -1.02 0.00 0.00 32.46 30.30 3gfg n ARG 165 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gfg h PRO 166 N 5.11 0.14 -5.86 5.56 0.13 -1.95 -3.43 132.00 131.71 3gfg h PRO 166 Ca 0.19 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.70 3gfg h PRO 166 Cb 0.80 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.84 3gfg h PRO 166 CO 0.61 0.24 -0.16 -2.00 -0.23 0.00 0.00 178.00 176.45 3gfg s GLU 167 N -4.84 4.18 -0.17 0.86 2.56 -1.26 -4.84 118.70 115.19 3gfg s GLU 167 Ca -0.05 0.44 -0.28 0.00 0.00 0.00 0.00 54.97 55.09 3gfg s GLU 167 Cb 0.16 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.94 3gfg s GLU 167 CO 0.71 0.39 0.95 0.08 -0.56 0.00 0.00 175.26 176.83 3gfg s VAL 168 N -0.12 4.79 -0.13 3.70 1.01 -1.26 -5.18 120.40 123.21 3gfg s VAL 168 Ca 0.25 1.89 -0.10 0.00 0.00 0.00 0.00 61.98 64.02 3gfg s VAL 168 Cb -0.16 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 3gfg s VAL 168 CO 0.12 -0.04 -0.22 0.00 0.00 0.00 0.00 175.10 174.95 3gfg n GLN 169 N 5.49 0.35 0.00 2.72 0.00 -1.26 -5.12 117.38 119.56 3gfg n GLN 169 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.23 3gfg n GLN 169 Cb 0.48 -1.10 0.00 0.00 0.00 0.00 0.00 30.24 29.62 3gfg n GLN 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gfg n GLY 177 N 2.05 0.00 0.01 2.61 0.00 -1.26 -5.19 105.19 103.42 3gfg n GLY 177 Ca -0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.82 3gfg n GLY 177 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gfg n THR 178 N 0.00 0.09 -0.96 2.61 5.66 -1.26 -4.68 114.28 115.74 3gfg n THR 178 Ca 0.00 -0.23 -0.28 0.00 -3.05 0.00 0.00 64.05 60.49 3gfg n THR 178 Cb 0.00 0.13 -0.03 0.00 -1.55 0.00 0.00 70.33 68.88 3gfg n THR 178 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gfg n ALA 179 N -1.89 5.86 -2.51 1.79 0.00 -1.26 -4.82 120.51 117.68 3gfg n ALA 179 Ca -0.03 -2.57 -0.24 0.00 0.00 0.00 0.00 53.44 50.59 3gfg n ALA 179 Cb 0.32 -3.12 -0.11 0.00 0.00 0.00 0.00 19.45 16.54 3gfg n ALA 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gfg s THR 180 N 2.84 1.73 0.00 0.00 -4.23 -1.26 -4.83 115.64 109.89 3gfg s THR 180 Ca 0.52 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3gfg s THR 180 Cb 0.14 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3gfg s THR 180 CO -0.04 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3gfg n GLY 181 N -0.75 -0.21 0.20 3.99 0.00 -1.26 -4.45 105.19 102.70 3gfg n GLY 181 Ca -0.04 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.18 3gfg n GLY 181 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gfg h THR 182 N 0.00 0.60 0.05 2.61 1.35 -1.55 0.01 112.91 115.99 3gfg h THR 182 Ca 0.00 -1.40 -0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3gfg h THR 182 Cb 0.00 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3gfg h THR 182 CO 0.00 0.28 -0.02 0.25 -0.25 0.00 0.00 175.52 175.77 3gfg h LEU 183 N 0.00 -0.06 -0.47 3.87 5.85 -1.83 0.38 115.31 123.05 3gfg h LEU 183 Ca -0.00 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3gfg h LEU 183 Cb 0.93 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3gfg h LEU 183 CO 0.04 0.29 -0.07 1.88 -0.34 0.00 0.00 178.44 180.24 3gfg h TYR 184 N -0.41 0.97 -0.03 1.25 -1.99 -1.77 -1.25 116.97 113.74 3gfg h TYR 184 Ca -0.01 -0.19 -0.13 0.00 2.00 0.00 0.00 58.73 60.40 3gfg h TYR 184 Cb 0.37 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.86 3gfg h TYR 184 CO 0.04 0.94 -0.47 0.22 -0.00 0.00 0.00 178.16 178.89 3gfg h ASP 185 N 0.72 0.48 0.00 3.88 3.58 -0.91 -3.34 116.42 120.83 3gfg h ASP 185 Ca 0.12 -0.71 -0.30 0.00 0.42 0.00 0.00 57.03 56.56 3gfg h ASP 185 Cb 0.60 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 3gfg h ASP 185 CO 0.04 1.12 -2.06 0.18 -2.88 0.00 0.00 179.24 175.64 3gfg n LEU 186 N -4.31 2.34 -0.36 2.28 4.77 0.12 -4.59 117.00 117.25 3gfg n LEU 186 Ca -0.09 0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 3gfg n LEU 186 Cb 0.60 -0.62 0.25 0.00 -2.33 0.00 0.00 43.42 41.32 3gfg n LEU 186 CO 0.44 0.65 1.23 1.23 -1.33 0.00 0.00 177.39 179.61 3gfg h GLY 187 N 0.56 1.64 1.33 -0.72 0.00 -0.09 -2.62 103.07 103.16 3gfg h GLY 187 Ca -0.45 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.49 3gfg h GLY 187 CO -0.16 0.14 0.41 1.48 0.00 0.00 0.00 176.54 178.42 3gfg h SER 188 N 0.97 0.67 0.05 0.19 4.64 -1.56 0.21 113.55 118.72 3gfg h SER 188 Ca 0.50 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.83 3gfg h SER 188 Cb 0.52 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3gfg h SER 188 CO -0.27 0.47 -0.15 0.45 -0.87 0.00 0.00 176.83 176.46 3gfg h HIS 189 N 0.78 -0.40 0.00 4.77 -0.00 -1.74 0.19 115.15 118.76 3gfg h HIS 189 Ca 0.24 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 3gfg h HIS 189 Cb -0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 3gfg h HIS 189 CO -0.00 -0.23 -0.50 -0.84 -0.00 0.00 0.00 177.93 176.36 3gfg h ILE 190 N -0.28 0.85 0.23 2.45 3.07 -1.54 -2.22 117.51 120.07 3gfg h ILE 190 Ca 0.03 -2.21 -0.01 0.00 1.55 0.00 0.00 64.86 64.23 3gfg h ILE 190 Cb 0.32 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 3gfg h ILE 190 CO -0.11 0.49 -0.11 0.40 -1.05 0.00 0.00 178.15 177.76 3gfg h ILE 191 N 0.00 0.83 -0.95 0.16 2.04 -0.50 -1.74 117.51 117.35 3gfg h ILE 191 Ca -0.01 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.59 3gfg h ILE 191 Cb 1.38 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 3gfg h ILE 191 CO 0.06 0.08 0.61 -0.78 0.00 0.00 0.00 178.15 178.12 3gfg h ASP 192 N -0.49 0.90 -0.17 1.72 3.58 -0.56 -0.89 116.42 120.50 3gfg h ASP 192 Ca -0.03 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 3gfg h ASP 192 Cb 0.37 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3gfg h ASP 192 CO 0.05 0.53 0.09 1.56 -2.88 0.00 0.00 179.24 178.59 3gfg h GLN 193 N 0.99 0.24 -0.01 0.28 4.20 -1.35 -1.24 115.11 118.23 3gfg h GLN 193 Ca 0.44 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.14 3gfg h GLN 193 Cb 0.36 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3gfg h GLN 193 CO -0.19 0.26 -0.14 1.15 -0.67 0.00 0.00 178.83 179.24 3gfg h THR 194 N 0.16 0.66 -0.70 -0.54 2.02 -0.36 -1.51 112.91 112.64 3gfg h THR 194 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3gfg h THR 194 Cb 0.09 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3gfg h THR 194 CO -0.01 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.28 3gfg h LEU 195 N -0.23 0.80 -0.76 2.58 3.38 -1.08 -0.27 115.31 119.74 3gfg h LEU 195 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gfg h LEU 195 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3gfg h LEU 195 CO -0.14 0.58 0.31 -0.74 0.09 0.00 0.00 178.44 178.54 3gfg h HIS 196 N 0.95 1.15 -0.11 1.13 2.76 -0.79 0.42 115.15 120.66 3gfg h HIS 196 Ca 0.26 -0.08 -0.23 0.00 -2.20 0.00 0.00 60.37 58.11 3gfg h HIS 196 Cb -0.10 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 28.53 3gfg h HIS 196 CO -0.00 0.87 -0.85 -0.07 -1.30 0.00 0.00 177.93 176.58 3gfg h LEU 197 N 1.09 0.93 -0.19 0.26 3.38 -0.66 -3.41 115.31 116.70 3gfg h LEU 197 Ca 0.25 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gfg h LEU 197 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gfg h LEU 197 CO -0.02 1.45 0.00 0.49 0.09 0.00 0.00 178.44 180.45 3gfg n PHE 198 N -3.93 0.00 -4.20 1.13 3.72 -0.17 -5.12 117.46 108.90 3gfg n PHE 198 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3gfg n PHE 198 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 3gfg n PHE 198 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gfg n GLY 199 N 0.73 -1.50 3.74 1.37 0.00 0.15 -4.86 105.19 104.82 3gfg n GLY 199 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3gfg n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gfg s MET 200 N 0.00 4.70 0.81 1.61 -1.94 -1.26 -4.47 119.30 118.74 3gfg s MET 200 Ca 0.00 1.57 -0.11 0.00 -1.71 0.00 0.00 55.69 55.44 3gfg s MET 200 Cb 0.00 -3.31 0.10 0.00 2.01 0.00 0.00 34.83 33.63 3gfg s MET 200 CO 0.00 0.24 1.16 -1.25 -0.01 0.00 0.00 175.02 175.16 3gfg s PRO 201 N -0.48 1.73 0.16 2.03 0.04 -1.26 -5.01 135.00 132.21 3gfg s PRO 201 Ca 0.46 -0.14 0.17 0.00 0.04 0.00 0.00 61.00 61.53 3gfg s PRO 201 Cb -0.26 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gfg s PRO 201 CO 0.33 -1.67 1.09 1.57 0.04 0.00 0.00 177.00 178.35 3gfg h LYS 202 N -1.04 0.00 -3.19 4.56 2.10 -0.89 -3.44 116.57 114.67 3gfg h LYS 202 Ca -0.45 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.10 3gfg h LYS 202 Cb 1.30 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.45 3gfg h LYS 202 CO 0.58 0.35 -0.26 0.00 -2.00 0.00 0.00 179.45 178.12 3gfg s ALA 203 N -2.97 -0.73 -0.02 0.07 0.00 -1.23 -0.13 121.76 116.74 3gfg s ALA 203 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3gfg s ALA 203 Cb 0.08 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3gfg s ALA 203 CO 0.78 -0.35 -0.19 0.08 0.00 0.00 0.00 175.76 176.08 3gfg s VAL 204 N -2.06 1.50 -0.05 0.00 1.01 -0.67 -0.29 120.40 119.84 3gfg s VAL 204 Ca -0.08 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3gfg s VAL 204 Cb -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3gfg s VAL 204 CO -0.00 0.43 -0.10 -0.89 0.00 0.00 0.00 175.10 174.53 3gfg s THR 205 N -0.31 0.96 -0.02 3.92 2.01 -0.47 -0.96 115.64 120.76 3gfg s THR 205 Ca 0.04 -0.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 3gfg s THR 205 Cb -0.09 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.59 3gfg s THR 205 CO 0.00 0.31 0.51 0.00 -0.69 0.00 0.00 174.62 174.75 3gfg s ALA 206 N 0.58 -1.31 -0.09 7.40 0.00 -1.26 -0.31 121.76 126.75 3gfg s ALA 206 Ca -0.11 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3gfg s ALA 206 Cb -0.14 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3gfg s ALA 206 CO 0.02 -0.34 -0.11 1.21 0.00 0.00 0.00 175.76 176.55 3gfg s ASN 207 N -1.33 2.06 -0.10 0.00 2.47 -0.48 -2.88 114.94 114.68 3gfg s ASN 207 Ca -0.11 -0.32 -0.01 0.00 0.42 0.00 0.00 52.86 52.84 3gfg s ASN 207 Cb -0.02 -0.88 0.03 0.00 -1.45 0.00 0.00 41.25 38.92 3gfg s ASN 207 CO 0.06 -0.04 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.66 3gfg s VAL 208 N 1.19 0.82 0.27 -5.21 1.01 -1.26 -0.93 120.40 116.28 3gfg s VAL 208 Ca -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3gfg s VAL 208 Cb -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3gfg s VAL 208 CO -0.03 0.33 0.40 0.00 0.00 0.00 0.00 175.10 175.80 3gfg s MET 209 N 1.74 1.61 -0.34 2.72 0.23 -0.21 -4.97 119.30 120.08 3gfg s MET 209 Ca 0.04 -1.52 -0.08 0.00 -1.03 0.00 0.00 55.69 53.10 3gfg s MET 209 Cb -0.13 0.42 0.03 0.00 -1.53 0.00 0.00 34.83 33.62 3gfg s MET 209 CO -0.07 -0.64 0.13 0.00 -2.03 0.00 0.00 175.02 172.41 3gfg s ALA 210 N -3.70 3.14 -0.06 3.16 0.00 -1.26 -1.16 121.76 121.89 3gfg s ALA 210 Ca 0.29 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 3gfg s ALA 210 Cb 0.01 -2.35 -0.30 0.00 0.00 0.00 0.00 23.12 20.48 3gfg s ALA 210 CO 0.14 -1.22 0.63 1.96 0.00 0.00 0.00 175.76 177.27 3gfg h GLN 211 N 8.30 0.36 -7.04 0.00 4.20 -1.89 -3.47 115.11 115.57 3gfg h GLN 211 Ca -0.26 -0.61 -0.54 0.00 0.06 0.00 0.00 58.65 57.29 3gfg h GLN 211 Cb 1.10 0.23 0.12 0.00 0.30 0.00 0.00 27.48 29.23 3gfg h GLN 211 CO 0.62 1.28 0.58 1.03 -0.67 0.00 0.00 178.83 181.67 3gfg s ARG 212 N -2.58 3.31 0.24 1.46 0.52 -1.26 -4.94 118.95 115.69 3gfg s ARG 212 Ca -0.16 2.12 -0.08 0.00 -0.52 0.00 0.00 55.73 57.09 3gfg s ARG 212 Cb 0.06 -2.30 0.39 0.00 0.52 0.00 0.00 34.95 33.61 3gfg s ARG 212 CO 0.84 -1.02 1.64 1.49 0.02 0.00 0.00 175.30 178.27 3gfg h GLU 213 N 1.62 0.10 -0.21 3.54 4.81 -1.91 -2.87 114.58 119.67 3gfg h GLU 213 Ca -0.50 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.55 3gfg h GLU 213 Cb 1.29 -0.02 -0.18 0.00 0.63 0.00 0.00 28.75 30.47 3gfg h GLU 213 CO 0.58 0.07 -0.68 0.09 -0.73 0.00 0.00 179.01 178.34 3gfg n ASN 214 N -5.33 2.42 -4.79 1.04 4.13 -1.26 -5.06 115.26 106.40 3gfg n ASN 214 Ca 0.12 -3.54 -0.36 0.00 1.68 0.00 0.00 54.58 52.49 3gfg n ASN 214 Cb 0.43 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gfg s ALA 215 N -2.97 3.10 0.00 5.41 0.00 -1.09 -4.95 121.76 121.26 3gfg s ALA 215 Ca 0.40 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3gfg s ALA 215 Cb 0.38 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3gfg s ALA 215 CO -0.05 -0.00 0.00 -0.85 0.00 0.00 0.00 175.76 174.85 3gfg n GLU 216 N -0.09 1.00 -3.75 0.00 0.28 -1.26 -4.98 120.64 111.85 3gfg n GLU 216 Ca 0.05 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.82 3gfg n GLU 216 Cb 0.51 -0.91 -0.02 0.00 1.43 0.00 0.00 31.44 32.45 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3gfg s THR 217 N -1.72 5.21 0.18 3.84 -4.23 -1.26 -5.05 115.64 112.60 3gfg s THR 217 Ca 0.00 -0.74 -0.32 0.00 -1.18 0.00 0.00 61.69 59.45 3gfg s THR 217 Cb 0.00 -3.84 -0.11 0.00 1.34 0.00 0.00 72.50 69.88 3gfg s THR 217 CO 0.00 -0.38 1.74 -0.69 -0.54 0.00 0.00 174.62 174.75 3gfg s VAL 218 N -2.07 2.23 0.00 2.29 1.01 -1.26 -4.46 120.40 118.13 3gfg s VAL 218 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3gfg s VAL 218 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3gfg s VAL 218 CO 0.31 0.00 0.42 -0.90 0.00 0.00 0.00 175.10 174.93 3gfg n ASP 219 N 4.49 0.63 -3.72 3.32 5.68 -0.31 -1.28 116.55 125.36 3gfg n ASP 219 Ca 0.16 -1.17 -0.12 0.00 -0.50 0.00 0.00 54.79 53.17 3gfg n ASP 219 Cb 0.36 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.23 3gfg n ASP 219 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3gfg s TYR 220 N -0.17 -0.49 0.02 2.11 5.04 -0.84 -2.94 117.35 120.08 3gfg s TYR 220 Ca 0.00 1.10 -0.08 0.00 -2.44 0.00 0.00 57.07 55.66 3gfg s TYR 220 Cb 0.00 0.19 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 3gfg s TYR 220 CO 0.00 -0.27 0.15 -0.59 -1.34 0.00 0.00 175.55 173.50 3gfg s PHE 221 N 0.95 0.07 -0.17 4.97 -0.12 -0.48 -1.05 117.98 122.16 3gfg s PHE 221 Ca -0.06 -0.24 -0.05 0.00 -0.05 0.00 0.00 56.93 56.53 3gfg s PHE 221 Cb -0.07 -0.06 0.09 0.00 -0.63 0.00 0.00 43.02 42.35 3gfg s PHE 221 CO -0.07 -0.35 0.30 -1.58 -0.05 0.00 0.00 175.22 173.47 3gfg s HIS 222 N -1.97 -0.53 -0.07 3.49 2.46 -0.11 -1.39 115.29 117.17 3gfg s HIS 222 Ca -0.10 0.91 0.04 0.00 0.47 0.00 0.00 55.06 56.38 3gfg s HIS 222 Cb -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 3gfg s HIS 222 CO -0.01 -0.48 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.09 3gfg s LEU 223 N 2.46 1.90 -0.19 8.88 1.02 0.16 -1.38 118.68 131.52 3gfg s LEU 223 Ca 0.04 -0.41 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 3gfg s LEU 223 Cb -0.13 -1.09 -0.02 0.00 0.02 0.00 0.00 46.19 44.97 3gfg s LEU 223 CO -0.11 0.13 -0.03 -0.89 0.02 0.00 0.00 176.35 175.47 3gfg s THR 224 N 0.28 3.70 -0.25 5.49 2.01 0.57 0.07 115.64 127.51 3gfg s THR 224 Ca -0.11 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 3gfg s THR 224 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3gfg s THR 224 CO 0.05 0.45 0.12 -0.76 -0.69 0.00 0.00 174.62 173.78 3gfg s LEU 225 N 0.94 3.73 -0.33 4.42 1.02 0.58 -1.37 118.68 127.67 3gfg s LEU 225 Ca 0.00 -0.08 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 3gfg s LEU 225 Cb -0.15 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 3gfg s LEU 225 CO 0.01 -0.01 0.55 -0.62 0.02 0.00 0.00 176.35 176.30 3gfg s ASP 226 N 1.46 6.38 -0.15 2.29 2.15 0.60 -2.05 116.67 127.35 3gfg s ASP 226 Ca 0.06 0.18 0.18 0.00 0.43 0.00 0.00 52.55 53.40 3gfg s ASP 226 Cb -0.15 -2.29 0.40 0.00 -0.30 0.00 0.00 42.92 40.59 3gfg s ASP 226 CO 0.06 -0.45 1.28 -1.22 -0.17 0.00 0.00 175.17 174.66 3gfg n TYR 227 N 5.76 0.44 0.00 -5.34 4.01 -0.84 -0.13 117.16 121.06 3gfg n TYR 227 Ca -0.04 -0.96 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 3gfg n TYR 227 Cb 0.49 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3gfg n TYR 227 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gfg n GLY 228 N -1.01 1.57 0.24 2.72 0.00 -1.26 -3.92 105.19 103.53 3gfg n GLY 228 Ca 0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 3gfg n GLY 228 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gfg h LYS 229 N 0.00 0.64 -6.49 1.61 3.64 -1.98 -3.41 116.57 110.58 3gfg h LYS 229 Ca 0.00 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.81 3gfg h LYS 229 Cb 0.00 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3gfg h LYS 229 CO 0.00 0.43 0.62 -1.17 -2.27 0.00 0.00 179.45 177.06 3gfg s LEU 230 N -10.24 4.37 -0.14 5.20 2.96 -1.25 -4.82 118.68 114.75 3gfg s LEU 230 Ca -0.13 2.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 3gfg s LEU 230 Cb 0.15 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.27 3gfg s LEU 230 CO 0.75 -0.53 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.95 3gfg s GLN 231 N 1.16 3.08 -0.21 1.98 -1.52 0.22 -1.99 119.66 122.38 3gfg s GLN 231 Ca 0.60 -0.82 -0.04 0.00 -1.95 0.00 0.00 55.36 53.15 3gfg s GLN 231 Cb -0.31 -2.49 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 3gfg s GLN 231 CO 0.29 -0.00 -0.04 0.00 -0.25 0.00 0.00 175.29 175.29 3gfg s ALA 232 N 0.81 2.87 -0.22 6.09 0.00 -0.87 -1.01 121.76 129.42 3gfg s ALA 232 Ca -0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 3gfg s ALA 232 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 3gfg s ALA 232 CO -0.01 -0.28 0.02 0.42 0.00 0.00 0.00 175.76 175.91 3gfg s ILE 233 N 1.22 4.00 -0.15 0.00 -1.09 0.79 -0.31 121.20 125.67 3gfg s ILE 233 Ca 0.03 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 3gfg s ILE 233 Cb -0.14 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.93 3gfg s ILE 233 CO -0.01 0.39 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.26 3gfg s LEU 234 N 1.33 1.49 0.10 2.97 1.43 0.11 -0.35 118.68 125.76 3gfg s LEU 234 Ca 0.04 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3gfg s LEU 234 Cb -0.15 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3gfg s LEU 234 CO 0.01 -0.14 0.24 -0.72 0.23 0.00 0.00 176.35 175.98 3gfg s TYR 235 N 1.63 0.06 -0.29 0.29 -0.85 -0.69 0.37 117.35 117.88 3gfg s TYR 235 Ca 0.03 -0.46 -0.23 0.00 -0.52 0.00 0.00 57.07 55.89 3gfg s TYR 235 Cb -0.14 0.02 0.14 0.00 0.38 0.00 0.00 41.96 42.36 3gfg s TYR 235 CO -0.08 -0.58 1.09 0.20 -1.52 0.00 0.00 175.55 174.65 3gfg s GLY 236 N -2.84 -0.02 0.50 5.49 0.00 -0.49 -0.95 107.32 109.01 3gfg s GLY 236 Ca 0.04 2.93 0.02 0.00 0.00 0.00 0.00 44.72 47.71 3gfg s GLY 236 CO -0.11 2.03 0.01 -0.32 0.00 0.00 0.00 173.10 174.71 3gfg s GLY 237 N 0.45 2.98 0.00 0.20 0.00 -1.26 -1.38 107.32 108.31 3gfg s GLY 237 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3gfg s GLY 237 CO -0.10 -2.17 0.33 1.44 0.00 0.00 0.00 173.10 172.60 3gfg n SER 238 N -1.25 0.66 -2.78 1.64 7.64 -1.15 -1.36 113.62 117.01 3gfg n SER 238 Ca -0.18 -0.98 -0.29 0.00 1.01 0.00 0.00 58.87 58.43 3gfg n SER 238 Cb 0.67 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.87 3gfg n SER 238 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gfg n ILE 239 N -0.02 3.02 -3.92 0.44 5.41 -1.23 -0.54 119.36 122.53 3gfg n ILE 239 Ca 0.00 -5.22 -0.31 0.00 1.00 0.00 0.00 62.75 58.22 3gfg n ILE 239 Cb 0.08 -1.34 -0.13 0.00 -0.71 0.00 0.00 39.64 37.54 3gfg n ILE 239 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gfg s VAL 240 N -5.00 2.73 0.35 1.39 1.01 -0.69 -4.99 120.40 115.19 3gfg s VAL 240 Ca 0.48 -3.06 0.04 0.00 0.00 0.00 0.00 61.98 59.44 3gfg s VAL 240 Cb 0.34 -2.89 0.28 0.00 0.00 0.00 0.00 36.38 34.11 3gfg s VAL 240 CO -0.18 -0.77 1.96 -0.65 0.00 0.00 0.00 175.10 175.45 3gfg h PRO 241 N 6.82 0.82 -3.79 2.72 0.11 -1.95 -3.32 132.00 133.42 3gfg h PRO 241 Ca -0.06 -0.05 -0.35 0.00 0.11 0.00 0.00 66.00 65.65 3gfg h PRO 241 Cb 0.93 -0.18 -0.33 0.00 0.11 0.00 0.00 31.00 31.52 3gfg h PRO 241 CO 0.66 0.54 -0.75 0.00 -0.21 0.00 0.00 178.00 178.24 3gfg s ALA 242 N -5.74 0.36 0.33 -0.75 0.00 -1.26 -4.94 121.76 109.76 3gfg s ALA 242 Ca -0.10 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 3gfg s ALA 242 Cb 0.19 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 3gfg s ALA 242 CO 0.78 -0.05 1.00 -0.80 0.00 0.00 0.00 175.76 176.69 3gfg s ASN 243 N 0.91 7.19 0.00 0.00 0.01 -1.26 -5.06 114.94 116.72 3gfg s ASN 243 Ca -0.10 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.04 3gfg s ASN 243 Cb -0.13 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3gfg s ASN 243 CO -0.01 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 3gfg n GLY 244 N 0.70 -0.50 3.77 0.66 0.00 -1.26 -5.01 105.19 103.55 3gfg n GLY 244 Ca 0.02 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3gfg n GLY 244 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gfg s PRO 245 N 0.24 4.26 0.24 1.61 0.02 -1.26 -4.74 135.00 135.36 3gfg s PRO 245 Ca 0.00 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 3gfg s PRO 245 Cb 0.00 -3.03 0.27 0.00 0.02 0.00 0.00 34.50 31.76 3gfg s PRO 245 CO 0.00 -0.33 1.70 -0.09 -0.33 0.00 0.00 177.00 177.95 3gfg h ARG 246 N 3.28 0.76 -4.38 5.54 2.43 -0.90 -3.39 114.38 117.72 3gfg h ARG 246 Ca -0.50 -0.26 -0.49 0.00 -0.81 0.00 0.00 59.98 57.92 3gfg h ARG 246 Cb 1.23 -0.06 -0.34 0.00 -0.42 0.00 0.00 29.97 30.38 3gfg h ARG 246 CO 0.65 0.85 -0.80 0.71 -1.51 0.00 0.00 179.97 179.87 3gfg s TYR 247 N -4.78 1.31 -0.18 2.20 2.02 -0.84 -1.80 117.35 115.28 3gfg s TYR 247 Ca -0.09 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3gfg s TYR 247 Cb 0.14 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3gfg s TYR 247 CO 0.82 -0.30 -0.16 -0.65 -1.57 0.00 0.00 175.55 173.69 3gfg s GLN 248 N 0.90 2.58 -0.11 -0.62 -0.21 -0.01 -1.84 119.66 120.36 3gfg s GLN 248 Ca -0.10 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.50 3gfg s GLN 248 Cb -0.15 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.45 3gfg s GLN 248 CO 0.01 -0.28 -0.14 0.42 -2.12 0.00 0.00 175.29 173.19 3gfg s ILE 249 N 1.35 1.39 -0.09 1.08 1.01 0.40 -0.65 121.20 125.69 3gfg s ILE 249 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.15 3gfg s ILE 249 Cb -0.14 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3gfg s ILE 249 CO -0.11 0.42 -0.22 -1.00 0.00 0.00 0.00 174.94 174.03 3gfg s HIS 250 N 1.10 2.37 0.00 3.97 3.76 0.07 -0.62 115.29 125.94 3gfg s HIS 250 Ca -0.05 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 3gfg s HIS 250 Cb -0.14 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.96 3gfg s HIS 250 CO -0.03 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 173.91 3gfg n GLY 251 N 3.47 4.83 0.28 -2.22 0.00 -0.22 0.52 105.19 111.85 3gfg n GLY 251 Ca -0.19 -2.14 0.17 0.00 0.00 0.00 0.00 46.02 43.85 3gfg n GLY 251 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gfg h LYS 252 N 0.00 0.00 0.00 1.61 2.10 -1.09 -3.36 116.57 115.83 3gfg h LYS 252 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gfg h LYS 252 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3gfg h LYS 252 CO 0.00 0.04 -0.44 -0.25 -2.00 0.00 0.00 179.45 176.80 3gfg n ASP 253 N -3.17 2.19 -4.07 7.07 10.43 -1.26 -5.04 116.55 122.70 3gfg n ASP 253 Ca -0.00 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.28 3gfg n ASP 253 Cb 0.29 0.37 -0.10 0.00 1.84 0.00 0.00 41.12 43.51 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3gfg s SER 254 N -1.21 0.53 0.11 -2.24 1.04 -1.26 -1.43 113.70 109.25 3gfg s SER 254 Ca 0.00 -0.86 0.09 0.00 0.48 0.00 0.00 55.95 55.66 3gfg s SER 254 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3gfg s SER 254 CO 0.00 -0.49 -0.23 -0.44 0.98 0.00 0.00 173.24 173.06 3gfg s SER 255 N -2.52 2.83 -0.12 7.02 0.01 -0.55 -1.05 113.70 119.32 3gfg s SER 255 Ca 0.01 -0.70 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 3gfg s SER 255 Cb 0.02 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.10 3gfg s SER 255 CO -0.07 0.11 -0.09 0.12 0.41 0.00 0.00 173.24 173.72 3gfg s PHE 256 N -1.09 1.63 -0.12 2.43 5.36 0.21 -1.26 117.98 125.13 3gfg s PHE 256 Ca 0.09 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 3gfg s PHE 256 Cb -0.10 -1.30 0.02 0.00 -0.34 0.00 0.00 43.02 41.30 3gfg s PHE 256 CO 0.05 -0.53 -0.14 0.42 -1.46 0.00 0.00 175.22 173.56 3gfg s ILE 257 N 1.60 1.43 -0.04 3.12 1.01 -0.46 -0.46 121.20 127.40 3gfg s ILE 257 Ca 0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 3gfg s ILE 257 Cb -0.13 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3gfg s ILE 257 CO -0.08 0.43 0.11 -0.75 0.00 0.00 0.00 174.94 174.65 3gfg s LYS 258 N 1.21 0.12 0.34 2.79 2.20 -0.77 -0.51 119.74 125.12 3gfg s LYS 258 Ca -0.02 0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.84 3gfg s LYS 258 Cb -0.14 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.19 3gfg s LYS 258 CO -0.05 -0.03 0.32 0.71 -0.36 0.00 0.00 175.35 175.94 3gfg s TYR 259 N 0.20 2.91 0.00 4.03 2.02 -1.26 -0.26 117.35 124.99 3gfg s TYR 259 Ca -0.01 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3gfg s TYR 259 Cb -0.02 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3gfg s TYR 259 CO -0.01 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 3gfg n GLY 260 N -1.42 0.21 3.24 0.71 0.00 -1.26 -4.75 105.19 101.92 3gfg n GLY 260 Ca -0.01 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 3gfg n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gfg s ILE 261 N -1.76 1.30 0.30 -0.61 2.07 -1.26 -4.74 121.20 116.51 3gfg s ILE 261 Ca 0.00 -1.75 -0.30 0.00 -1.41 0.00 0.00 60.65 57.20 3gfg s ILE 261 Cb 0.00 -1.55 -0.12 0.00 0.13 0.00 0.00 42.46 40.92 3gfg s ILE 261 CO 0.00 -0.46 1.47 -0.67 -1.91 0.00 0.00 174.94 173.38 3gfg n ASP 262 N 0.46 3.36 -1.15 4.50 2.03 -1.26 -4.94 116.55 119.54 3gfg n ASP 262 Ca -0.15 1.17 0.10 0.00 0.52 0.00 0.00 54.79 56.43 3gfg n ASP 262 Cb 0.57 -1.53 0.28 0.00 -0.72 0.00 0.00 41.12 39.71 3gfg n ASP 262 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gfg n GLY 263 N 1.61 1.92 0.23 0.27 0.00 -1.26 -4.54 105.19 103.43 3gfg n GLY 263 Ca 0.07 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3gfg n GLY 263 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gfg h GLN 264 N 3.65 0.78 -0.67 1.61 4.20 -1.92 -1.94 115.11 120.82 3gfg h GLN 264 Ca 0.00 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.36 3gfg h GLN 264 Cb 0.83 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 3gfg h GLN 264 CO 0.00 1.00 0.42 0.93 -0.67 0.00 0.00 178.83 180.51 3gfg h GLU 265 N 0.56 0.80 -0.69 1.46 5.08 -1.99 0.13 114.58 119.93 3gfg h GLU 265 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3gfg h GLU 265 Cb 0.81 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3gfg h GLU 265 CO 0.07 0.53 0.20 -0.44 -1.00 0.00 0.00 179.01 178.37 3gfg h ASP 266 N 0.82 1.01 -0.61 1.42 3.32 -1.85 0.18 116.42 120.72 3gfg h ASP 266 Ca 0.27 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3gfg h ASP 266 Cb 0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3gfg h ASP 266 CO -0.10 0.96 0.23 0.00 -1.72 0.00 0.00 179.24 178.61 3gfg h ALA 267 N 1.09 0.79 -0.18 3.45 0.00 -1.02 -1.62 119.26 121.77 3gfg h ALA 267 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gfg h ALA 267 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gfg h ALA 267 CO -0.00 0.42 0.10 -0.07 0.00 0.00 0.00 179.25 179.70 3gfg h LEU 268 N 0.85 0.22 -1.38 0.00 3.38 -0.53 -0.51 115.31 117.34 3gfg h LEU 268 Ca 0.20 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.30 3gfg h LEU 268 Cb 0.22 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3gfg h LEU 268 CO -0.01 0.22 0.60 0.03 0.09 0.00 0.00 178.44 179.36 3gfg h ARG 269 N 0.20 0.51 -0.00 1.13 3.08 -0.49 -0.22 114.38 118.58 3gfg h ARG 269 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gfg h ARG 269 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3gfg h ARG 269 CO -0.01 0.34 -0.00 0.00 -1.07 0.00 0.00 179.97 179.22 3gfg n ALA 270 N -2.47 2.65 -0.39 0.04 0.00 -0.62 -4.89 120.51 114.82 3gfg n ALA 270 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gfg n ALA 270 Cb 0.63 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3gfg n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfg n GLY 271 N 1.08 0.75 3.78 0.00 0.00 -0.09 -5.07 105.19 105.64 3gfg n GLY 271 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3gfg n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gfg s ARG 272 N -0.61 4.48 0.21 1.61 0.52 -0.23 -5.00 118.95 119.92 3gfg s ARG 272 Ca 0.00 1.40 0.10 0.00 -0.52 0.00 0.00 55.73 56.71 3gfg s ARG 272 Cb 0.00 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 3gfg s ARG 272 CO 0.00 0.16 -0.20 0.15 0.02 0.00 0.00 175.30 175.44 3gfg s LYS 273 N -2.14 1.44 -0.26 3.54 1.02 -1.26 -3.99 119.74 118.09 3gfg s LYS 273 Ca 0.52 -1.55 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 3gfg s LYS 273 Cb -0.20 -1.55 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 3gfg s LYS 273 CO 0.26 0.31 1.43 -2.14 -0.92 0.00 0.00 175.35 174.28 3gfg s PRO 274 N -3.05 3.89 0.00 -1.68 0.02 -1.26 -4.83 135.00 128.09 3gfg s PRO 274 Ca 0.21 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3gfg s PRO 274 Cb -0.05 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.53 3gfg s PRO 274 CO 0.10 -1.16 0.00 0.39 -0.33 0.00 0.00 177.00 175.99 3gfg n GLU 275 N 7.41 2.11 -3.38 5.54 1.02 -1.26 -4.98 120.64 127.10 3gfg n GLU 275 Ca 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 3gfg n GLU 275 Cb 0.46 -0.83 -0.01 0.00 -0.02 0.00 0.00 31.44 31.04 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gfg n ASP 276 N -1.08 -1.32 0.22 1.62 3.85 -1.26 -5.05 116.55 113.54 3gfg n ASP 276 Ca 0.00 -2.42 0.17 0.00 -0.71 0.00 0.00 54.79 51.83 3gfg n ASP 276 Cb 0.05 2.34 0.84 0.00 -1.35 0.00 0.00 41.12 43.00 3gfg n ASP 276 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gfg h ASP 277 N 1.56 0.00 1.34 -1.12 3.32 -2.03 -2.74 116.42 116.75 3gfg h ASP 277 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3gfg h ASP 277 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3gfg h ASP 277 CO 0.31 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.60 3gfg h SER 278 N 0.00 0.00 -2.78 6.45 4.64 -2.02 -3.46 113.55 116.39 3gfg h SER 278 Ca 0.08 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.82 3gfg h SER 278 Cb 0.43 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.61 3gfg h SER 278 CO -0.00 0.00 0.59 1.87 -0.87 0.00 0.00 176.83 178.42 3gfg n TRP 279 N -2.31 2.18 -0.93 4.77 -0.00 -1.04 -2.87 117.44 117.24 3gfg n TRP 279 Ca 0.05 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 3gfg n TRP 279 Cb 0.39 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.25 3gfg n TRP 279 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gfg n GLY 280 N 1.94 0.46 3.75 5.87 0.00 -1.26 -4.29 105.19 111.65 3gfg n GLY 280 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3gfg n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg n ALA 281 N 1.00 1.66 -2.09 4.61 0.00 -1.14 -1.14 120.51 123.42 3gfg n ALA 281 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 3gfg n ALA 281 Cb 0.10 -2.37 0.03 0.00 0.00 0.00 0.00 19.45 17.21 3gfg n ALA 281 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gfg s ASP 282 N -0.87 5.65 -0.13 0.00 -1.08 -1.26 -4.79 116.67 114.20 3gfg s ASP 282 Ca 0.71 0.76 -0.22 0.00 -0.52 0.00 0.00 52.55 53.28 3gfg s ASP 282 Cb -0.42 -1.77 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 3gfg s ASP 282 CO 0.50 -1.03 0.67 -0.69 0.52 0.00 0.00 175.17 175.13 3gfg s VAL 283 N -2.99 5.03 0.42 1.11 1.01 -1.26 -4.99 120.40 118.74 3gfg s VAL 283 Ca 0.54 1.32 0.23 0.00 0.00 0.00 0.00 61.98 64.06 3gfg s VAL 283 Cb -0.11 -3.99 0.43 0.00 0.00 0.00 0.00 36.38 32.71 3gfg s VAL 283 CO 0.46 0.18 1.76 -0.65 0.00 0.00 0.00 175.10 176.84 3gfg h PRO 284 N 7.08 0.28 0.00 2.72 0.11 -1.99 0.17 132.00 140.37 3gfg h PRO 284 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3gfg h PRO 284 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gfg h PRO 284 CO 0.77 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3gfg n GLU 285 N -4.57 0.08 -0.20 1.05 0.00 -1.26 -2.26 120.64 113.48 3gfg n GLU 285 Ca 0.27 0.26 0.09 0.00 0.00 0.00 0.00 57.16 57.78 3gfg n GLU 285 Cb 1.00 -1.64 0.20 0.00 0.00 0.00 0.00 31.44 31.01 3gfg n GLU 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3gfg n PHE 286 N -1.78 0.54 -1.81 -1.84 3.72 0.57 -4.98 117.46 111.88 3gfg n PHE 286 Ca 0.04 -0.35 -0.41 0.00 -0.05 0.00 0.00 57.45 56.68 3gfg n PHE 286 Cb 0.24 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 3gfg n PHE 286 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3gfg s TYR 287 N -1.16 2.64 0.75 1.38 2.02 -0.96 -4.20 117.35 117.83 3gfg s TYR 287 Ca 0.33 1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 58.00 3gfg s TYR 287 Cb 0.19 -4.02 0.05 0.00 -0.40 0.00 0.00 41.96 37.78 3gfg s TYR 287 CO 0.25 -3.08 1.13 0.20 -1.57 0.00 0.00 175.55 172.49 3gfg s GLY 288 N -0.02 1.96 -0.17 0.71 0.00 -1.25 -4.78 107.32 103.77 3gfg s GLY 288 Ca 0.55 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.77 3gfg s GLY 288 CO 0.60 0.90 -0.05 0.54 0.00 0.00 0.00 173.10 175.09 3gfg s LYS 289 N -4.41 3.57 -0.22 2.90 1.02 0.33 -1.30 119.74 121.64 3gfg s LYS 289 Ca 0.67 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 56.02 3gfg s LYS 289 Cb -0.22 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3gfg s LYS 289 CO 0.50 0.15 0.07 -1.17 -0.92 0.00 0.00 175.35 173.97 3gfg s LEU 290 N 0.60 3.65 -0.15 3.17 2.96 -0.19 -1.36 118.68 127.36 3gfg s LEU 290 Ca -0.03 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3gfg s LEU 290 Cb -0.15 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3gfg s LEU 290 CO 0.03 0.07 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.19 3gfg s THR 291 N 0.98 3.78 -0.06 3.68 2.01 -0.39 -0.65 115.64 124.99 3gfg s THR 291 Ca 0.04 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3gfg s THR 291 Cb -0.14 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.73 3gfg s THR 291 CO 0.03 0.50 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.44 3gfg s THR 292 N 0.35 1.19 -0.21 -0.82 2.01 0.11 -1.48 115.64 116.79 3gfg s THR 292 Ca -0.05 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3gfg s THR 292 Cb -0.14 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.32 3gfg s THR 292 CO 0.03 0.36 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 3gfg s ILE 293 N 0.51 2.37 -0.35 1.82 1.01 -0.51 -0.51 121.20 125.54 3gfg s ILE 293 Ca -0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.51 3gfg s ILE 293 Cb -0.15 -2.12 0.09 0.00 0.01 0.00 0.00 42.46 40.30 3gfg s ILE 293 CO 0.03 0.37 0.08 -0.13 0.00 0.00 0.00 174.94 175.29 3gfg s ARG 294 N 1.29 2.00 2.78 2.79 3.00 -0.38 -4.84 118.95 125.59 3gfg s ARG 294 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 55.73 54.11 3gfg s ARG 294 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 34.95 31.49 3gfg s ARG 294 CO -0.09 -0.86 0.00 0.41 0.00 0.00 0.00 175.30 174.76 3gfg n GLY 295 N 4.49 0.51 0.02 -3.53 0.00 -1.26 -1.44 105.19 103.99 3gfg n GLY 295 Ca -0.05 0.70 0.11 0.00 0.00 0.00 0.00 46.02 46.78 3gfg n GLY 295 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfg n SER 296 N 6.60 0.42 -4.69 1.61 2.88 -1.26 -4.93 113.62 114.25 3gfg n SER 296 Ca 0.00 -0.21 -0.35 0.00 -1.33 0.00 0.00 58.87 56.97 3gfg n SER 296 Cb 0.00 1.37 -0.09 0.00 -0.75 0.00 0.00 64.21 64.74 3gfg n SER 296 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3gfg s ASP 297 N -4.16 6.08 -0.15 -3.46 1.11 -0.52 -5.08 116.67 110.48 3gfg s ASP 297 Ca -0.01 0.17 -0.02 0.00 0.18 0.00 0.00 52.55 52.86 3gfg s ASP 297 Cb 0.14 -2.07 -0.02 0.00 1.07 0.00 0.00 42.92 42.04 3gfg s ASP 297 CO 0.86 0.14 -0.08 -0.75 1.18 0.00 0.00 175.17 176.53 3gfg s LYS 298 N 0.57 3.52 0.01 8.23 2.20 -1.26 -1.25 119.74 131.75 3gfg s LYS 298 Ca 0.07 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 3gfg s LYS 298 Cb -0.12 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 3gfg s LYS 298 CO 0.00 0.19 -0.09 0.21 -0.36 0.00 0.00 175.35 175.30 3gfg s LYS 299 N 0.47 0.67 -0.06 4.03 2.20 0.33 -4.98 119.74 122.39 3gfg s LYS 299 Ca -0.06 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3gfg s LYS 299 Cb -0.15 -0.63 0.01 0.00 -1.51 0.00 0.00 37.83 35.56 3gfg s LYS 299 CO 0.04 0.16 -0.12 0.99 -0.36 0.00 0.00 175.35 176.06 3gfg s THR 300 N -0.41 1.12 0.01 3.43 2.01 -1.26 0.09 115.64 120.63 3gfg s THR 300 Ca 0.01 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3gfg s THR 300 Cb -0.04 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3gfg s THR 300 CO -0.00 0.35 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.50 3gfg s GLU 301 N 0.67 1.25 -0.12 4.92 2.02 0.17 -4.98 118.70 122.64 3gfg s GLU 301 Ca -0.15 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 53.91 3gfg s GLU 301 Cb -0.16 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 3gfg s GLU 301 CO 0.04 0.33 0.68 0.99 0.02 0.00 0.00 175.26 177.32 3gfg s THR 302 N -0.59 5.03 -0.36 3.63 2.01 -1.26 -1.02 115.64 123.08 3gfg s THR 302 Ca 0.05 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.31 3gfg s THR 302 Cb -0.07 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.44 3gfg s THR 302 CO 0.00 0.19 0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 3gfg s ILE 303 N 1.23 4.69 0.23 1.82 -1.09 -0.42 -4.98 121.20 122.69 3gfg s ILE 303 Ca 0.35 -0.67 -0.31 0.00 -2.23 0.00 0.00 60.65 57.78 3gfg s ILE 303 Cb -0.17 -3.54 -0.12 0.00 -1.58 0.00 0.00 42.46 37.05 3gfg s ILE 303 CO 0.15 -0.14 1.68 -2.84 -1.23 0.00 0.00 174.94 172.55 3gfg s PRO 304 N 1.59 4.13 0.56 2.79 0.02 -1.26 -3.82 135.00 139.02 3gfg s PRO 304 Ca 0.03 2.58 -0.18 0.00 0.02 0.00 0.00 61.00 63.46 3gfg s PRO 304 Cb -0.18 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3gfg s PRO 304 CO 0.07 -0.71 1.07 -1.12 -0.33 0.00 0.00 177.00 175.98 3gfg s SER 305 N 1.00 5.87 0.34 2.53 0.01 -1.26 -5.01 113.70 117.18 3gfg s SER 305 Ca 0.71 1.92 -0.28 0.00 1.31 0.00 0.00 55.95 59.62 3gfg s SER 305 Cb -0.49 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.10 3gfg s SER 305 CO 0.36 -1.11 1.17 -0.69 0.41 0.00 0.00 173.24 173.38 3gfg s VAL 306 N -2.20 3.21 0.38 3.43 1.01 -1.26 -4.78 120.40 120.19 3gfg s VAL 306 Ca 0.66 1.14 -0.28 0.00 0.00 0.00 0.00 61.98 63.50 3gfg s VAL 306 Cb -0.18 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3gfg s VAL 306 CO 0.31 0.21 1.49 0.20 0.00 0.00 0.00 175.10 177.30 3gfg s ASN 307 N -0.90 6.33 0.56 3.32 -0.87 -1.26 -4.35 114.94 117.77 3gfg s ASN 307 Ca 0.50 3.05 -0.19 0.00 -1.57 0.00 0.00 52.86 54.65 3gfg s ASN 307 Cb -0.33 -2.67 -0.05 0.00 -0.02 0.00 0.00 41.25 38.18 3gfg s ASN 307 CO 0.42 -0.88 1.16 -0.83 -2.57 0.00 0.00 177.10 174.40 3gfg s GLY 308 N -0.15 2.67 -0.40 0.66 0.00 -0.29 -4.67 107.32 105.14 3gfg s GLY 308 Ca 0.53 0.89 0.10 0.00 0.00 0.00 0.00 44.72 46.25 3gfg s GLY 308 CO 0.63 1.26 0.97 -1.26 0.00 0.00 0.00 173.10 174.71 3gfg n SER 309 N -1.38 -0.50 0.08 1.64 2.88 -0.39 -4.24 113.62 111.71 3gfg n SER 309 Ca 0.12 -3.13 0.19 0.00 -1.33 0.00 0.00 58.87 54.72 3gfg n SER 309 Cb 0.50 0.46 0.73 0.00 -0.75 0.00 0.00 64.21 65.16 3gfg n SER 309 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3gfg h TYR 310 N 2.87 0.00 -0.61 0.66 0.05 -1.89 -0.53 116.97 117.53 3gfg h TYR 310 Ca -0.05 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.88 3gfg h TYR 310 Cb 1.09 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 3gfg h TYR 310 CO 0.38 0.00 0.42 -0.07 -1.05 0.00 0.00 178.16 177.84 3gfg h LEU 311 N 0.00 0.18 -1.29 3.88 3.38 -1.96 -2.36 115.31 117.14 3gfg h LEU 311 Ca 0.19 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3gfg h LEU 311 Cb 0.85 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3gfg h LEU 311 CO -0.00 0.10 0.49 0.74 0.09 0.00 0.00 178.44 179.85 3gfg h THR 312 N 0.19 1.16 -0.31 0.22 2.02 -1.51 -1.07 112.91 113.61 3gfg h THR 312 Ca 0.29 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3gfg h THR 312 Cb 0.89 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 3gfg h THR 312 CO -0.05 0.17 -0.21 0.22 0.37 0.00 0.00 175.52 176.03 3gfg h TYR 313 N 0.96 -0.54 0.00 3.16 3.20 -1.60 -0.47 116.97 121.69 3gfg h TYR 313 Ca 0.28 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.98 3gfg h TYR 313 Cb -0.05 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3gfg h TYR 313 CO -0.00 -0.28 -0.89 1.88 -1.64 0.00 0.00 178.16 177.22 3gfg h TYR 314 N -0.18 0.40 -0.96 -3.82 0.05 -1.52 -1.74 116.97 109.21 3gfg h TYR 314 Ca 0.16 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3gfg h TYR 314 Cb 0.42 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.07 3gfg h TYR 314 CO -0.40 1.03 0.63 0.00 -1.05 0.00 0.00 178.16 178.37 3gfg h ARG 315 N 0.15 1.25 -0.15 4.88 3.08 -0.98 -0.98 114.38 121.62 3gfg h ARG 315 Ca -0.05 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 3gfg h ARG 315 Cb 1.52 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3gfg h ARG 315 CO 0.14 0.82 -0.55 0.87 -1.07 0.00 0.00 179.97 180.19 3gfg h LYS 316 N 1.28 0.45 -0.53 0.04 1.57 -0.85 -2.47 116.57 116.06 3gfg h LYS 316 Ca 0.36 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3gfg h LYS 316 Cb -0.13 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3gfg h LYS 316 CO -0.08 0.88 0.03 0.82 -0.57 0.00 0.00 179.45 180.53 3gfg h ILE 317 N 0.35 1.25 -0.38 1.86 1.08 -0.82 -0.82 117.51 120.02 3gfg h ILE 317 Ca 0.01 -1.01 -0.07 0.00 -0.39 0.00 0.00 64.86 63.39 3gfg h ILE 317 Cb 1.07 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 3gfg h ILE 317 CO 0.10 0.36 -0.08 0.00 -0.69 0.00 0.00 178.15 177.84 3gfg h ALA 318 N 1.20 1.16 0.00 1.87 0.00 -1.01 -1.41 119.26 121.08 3gfg h ALA 318 Ca 0.16 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3gfg h ALA 318 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3gfg h ALA 318 CO 0.02 0.53 -0.62 0.93 0.00 0.00 0.00 179.25 180.12 3gfg h GLU 319 N 0.59 0.00 -0.05 0.00 5.08 -0.89 -0.10 114.58 119.21 3gfg h GLU 319 Ca 0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3gfg h GLU 319 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3gfg h GLU 319 CO 0.03 0.62 -0.71 0.77 -1.00 0.00 0.00 179.01 178.71 3gfg h SER 320 N 0.00 0.33 0.12 1.42 0.02 -0.77 -0.71 113.55 113.96 3gfg h SER 320 Ca -0.01 -0.21 -0.29 0.00 -0.84 0.00 0.00 61.79 60.44 3gfg h SER 320 Cb 1.18 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.65 3gfg h SER 320 CO 0.08 0.93 -1.21 0.40 -1.14 0.00 0.00 176.83 175.89 3gfg h ILE 321 N 0.19 1.30 0.11 3.27 2.04 -0.99 -2.81 117.51 120.61 3gfg h ILE 321 Ca -0.02 -2.45 -0.34 0.00 1.00 0.00 0.00 64.86 63.05 3gfg h ILE 321 Cb 1.26 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 40.05 3gfg h ILE 321 CO 0.11 0.74 -1.80 0.03 0.00 0.00 0.00 178.15 177.23 3gfg h ARG 322 N 0.23 0.23 0.00 2.37 2.47 -1.08 -3.41 114.38 115.20 3gfg h ARG 322 Ca -0.19 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 3gfg h ARG 322 Cb 1.89 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 3gfg h ARG 322 CO 0.23 1.08 0.00 0.39 0.56 0.00 0.00 179.97 182.23 3gfg n GLU 323 N -3.41 1.38 -1.38 0.04 -0.58 -0.32 -5.01 120.64 111.36 3gfg n GLU 323 Ca -0.25 -0.98 -0.11 0.00 -0.42 0.00 0.00 57.16 55.41 3gfg n GLU 323 Cb 1.05 -0.84 -0.04 0.00 -0.57 0.00 0.00 31.44 31.04 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gfg n GLY 324 N -0.26 1.08 3.71 0.62 0.00 -1.02 -4.96 105.19 104.36 3gfg n GLY 324 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3gfg n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg n ALA 325 N 0.97 0.97 -1.78 4.61 0.00 -0.94 -4.91 120.51 119.43 3gfg n ALA 325 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3gfg n ALA 325 Cb 0.37 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3gfg n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfg n ALA 326 N -1.86 2.37 -1.75 0.00 0.00 -1.26 -4.16 120.51 113.85 3gfg n ALA 326 Ca 0.15 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 3gfg n ALA 326 Cb 0.48 -2.42 0.03 0.00 0.00 0.00 0.00 19.45 17.53 3gfg n ALA 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfg s LEU 327 N -2.18 3.76 0.35 0.00 1.43 -1.26 -4.79 118.68 115.99 3gfg s LEU 327 Ca 0.54 2.46 0.05 0.00 -1.03 0.00 0.00 54.13 56.15 3gfg s LEU 327 Cb -0.47 -4.47 0.66 0.00 0.03 0.00 0.00 46.19 41.93 3gfg s LEU 327 CO 0.63 -1.49 1.91 1.55 0.23 0.00 0.00 176.35 179.18 3gfg h PRO 328 N 1.19 0.51 -3.28 1.29 0.13 -1.88 -3.41 132.00 126.55 3gfg h PRO 328 Ca -0.50 -0.09 -0.28 0.00 -0.87 0.00 0.00 66.00 64.25 3gfg h PRO 328 Cb 1.29 -0.08 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 3gfg h PRO 328 CO 0.56 0.51 -0.65 0.08 -0.23 0.00 0.00 178.00 178.27 3gfg s VAL 329 N -5.05 -0.10 0.38 1.56 1.01 -1.26 -5.10 120.40 111.84 3gfg s VAL 329 Ca -0.08 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3gfg s VAL 329 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3gfg s VAL 329 CO 0.76 0.10 0.58 0.42 0.00 0.00 0.00 175.10 176.96 3gfg s THR 330 N 1.48 4.77 0.22 3.92 -4.23 -1.26 -3.91 115.64 116.63 3gfg s THR 330 Ca -0.05 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 59.83 3gfg s THR 330 Cb -0.12 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.24 3gfg s THR 330 CO -0.05 -0.49 1.60 0.00 -0.54 0.00 0.00 174.62 175.14 3gfg h ALA 331 N 0.66 0.36 -0.72 3.99 0.00 -1.89 -2.64 119.26 119.01 3gfg h ALA 331 Ca -0.49 0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3gfg h ALA 331 Cb 1.23 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 3gfg h ALA 331 CO 0.60 -0.48 0.41 1.49 0.00 0.00 0.00 179.25 181.27 3gfg h GLU 332 N -0.04 0.72 -0.71 0.00 4.57 -1.94 0.15 114.58 117.34 3gfg h GLU 332 Ca 0.33 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3gfg h GLU 332 Cb 0.54 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3gfg h GLU 332 CO -0.75 0.48 0.25 0.93 -1.18 0.00 0.00 179.01 178.74 3gfg h GLU 333 N 0.74 1.08 -0.57 1.92 5.08 -1.90 -1.35 114.58 119.58 3gfg h GLU 333 Ca 0.33 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3gfg h GLU 333 Cb 0.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3gfg h GLU 333 CO -0.19 0.91 0.03 0.78 -1.00 0.00 0.00 179.01 179.54 3gfg h GLY 334 N 1.03 1.04 0.96 -3.84 0.00 -0.99 -2.49 103.07 98.78 3gfg h GLY 334 Ca 0.23 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3gfg h GLY 334 CO -0.01 0.66 0.19 -2.22 0.00 0.00 0.00 176.54 175.16 3gfg h ILE 335 N 0.90 1.21 -0.14 2.60 2.04 -0.45 -2.68 117.51 120.98 3gfg h ILE 335 Ca 0.17 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3gfg h ILE 335 Cb 0.48 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3gfg h ILE 335 CO 0.02 0.24 0.10 0.78 0.00 0.00 0.00 178.15 179.29 3gfg h ASN 336 N 0.62 0.02 -0.23 1.72 2.35 -0.99 -0.57 115.58 118.51 3gfg h ASN 336 Ca 0.16 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3gfg h ASN 336 Cb 0.19 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3gfg h ASN 336 CO -0.01 0.02 -0.18 0.58 -1.65 0.00 0.00 177.43 176.18 3gfg h VAL 337 N 0.03 1.32 -0.28 2.81 2.07 -1.11 -2.32 116.25 118.76 3gfg h VAL 337 Ca 0.06 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3gfg h VAL 337 Cb 0.23 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3gfg h VAL 337 CO -0.00 0.41 0.08 0.40 0.02 0.00 0.00 177.57 178.47 3gfg h ILE 338 N 0.22 1.13 -0.41 4.57 1.08 -1.27 -1.92 117.51 120.91 3gfg h ILE 338 Ca 0.04 -0.45 -0.08 0.00 -0.39 0.00 0.00 64.86 63.98 3gfg h ILE 338 Cb 0.71 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3gfg h ILE 338 CO 0.05 0.16 -0.08 0.03 -0.69 0.00 0.00 178.15 177.62 3gfg h ARG 339 N 0.40 0.71 -0.19 2.37 3.08 -0.86 0.15 114.38 120.04 3gfg h ARG 339 Ca 0.10 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3gfg h ARG 339 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gfg h ARG 339 CO -0.01 0.78 0.06 0.82 -1.07 0.00 0.00 179.97 180.55 3gfg h ILE 340 N 0.65 1.19 -0.61 2.04 1.08 -1.01 -1.72 117.51 119.14 3gfg h ILE 340 Ca 0.12 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3gfg h ILE 340 Cb 0.52 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 3gfg h ILE 340 CO 0.03 0.19 0.39 0.40 -0.69 0.00 0.00 178.15 178.47 3gfg h ILE 341 N 0.13 1.11 -0.60 -0.67 2.04 -1.00 0.46 117.51 118.98 3gfg h ILE 341 Ca 0.06 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3gfg h ILE 341 Cb 0.24 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3gfg h ILE 341 CO -0.00 0.14 0.07 -0.33 0.00 0.00 0.00 178.15 178.03 3gfg h GLU 342 N 0.77 1.00 -0.19 2.37 5.08 -0.69 -0.96 114.58 121.96 3gfg h GLU 342 Ca 0.23 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 3gfg h GLU 342 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3gfg h GLU 342 CO -0.08 0.94 -0.56 0.00 -1.00 0.00 0.00 179.01 178.31 3gfg h ALA 343 N 1.14 0.65 -0.78 3.43 0.00 -0.89 -2.06 119.26 120.76 3gfg h ALA 343 Ca 0.18 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gfg h ALA 343 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gfg h ALA 343 CO 0.02 0.69 0.50 0.00 0.00 0.00 0.00 179.25 180.45 3gfg h ALA 344 N 0.92 0.98 -0.25 0.00 0.00 0.26 -1.48 119.26 119.70 3gfg h ALA 344 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3gfg h ALA 344 Cb 1.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gfg h ALA 344 CO 0.11 0.42 -0.24 0.52 0.00 0.00 0.00 179.25 180.06 3gfg h MET 345 N 1.05 0.60 -0.07 0.00 2.07 -0.96 -1.71 114.93 115.91 3gfg h MET 345 Ca 0.28 -0.32 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 3gfg h MET 345 Cb -0.09 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.64 3gfg h MET 345 CO -0.06 0.91 -0.25 1.49 1.07 0.00 0.00 176.91 180.07 3gfg h GLU 346 N 0.31 0.12 -0.32 1.72 4.57 -1.36 -1.99 114.58 117.63 3gfg h GLU 346 Ca 0.04 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3gfg h GLU 346 Cb 0.80 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3gfg h GLU 346 CO 0.06 0.37 -0.04 1.03 -1.18 0.00 0.00 179.01 179.25 3gfg h SER 347 N 0.12 0.60 -0.47 1.04 0.87 -0.87 0.92 113.55 115.75 3gfg h SER 347 Ca 0.02 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 3gfg h SER 347 Cb 0.51 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3gfg h SER 347 CO 0.04 0.79 -0.11 -1.28 -0.53 0.00 0.00 176.83 175.74 3gfg h SER 348 N 0.39 0.94 -0.04 6.23 0.87 -1.08 0.11 113.55 120.97 3gfg h SER 348 Ca 0.09 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 3gfg h SER 348 Cb 0.51 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3gfg h SER 348 CO 0.02 1.06 -0.45 0.50 -0.53 0.00 0.00 176.83 177.43 3gfg h LYS 349 N 0.84 0.37 0.00 2.24 3.64 -1.30 -3.26 116.57 119.10 3gfg h LYS 349 Ca 0.13 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3gfg h LYS 349 Cb 0.64 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3gfg h LYS 349 CO 0.04 1.01 0.00 0.93 -2.27 0.00 0.00 179.45 179.17 3gfg h GLU 350 N -0.15 0.00 -4.37 1.90 4.39 -0.82 -3.48 114.58 112.06 3gfg h GLU 350 Ca -0.05 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 3gfg h GLU 350 Cb 1.14 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.89 3gfg h GLU 350 CO 0.09 0.00 -0.48 1.63 -1.16 0.00 0.00 179.01 179.09 3gfg n LYS 351 N -2.70 -5.29 -3.57 2.33 4.76 0.36 -5.02 118.16 109.03 3gfg n LYS 351 Ca 0.05 0.57 -0.11 0.00 -2.87 0.00 0.00 58.31 55.95 3gfg n LYS 351 Cb 0.47 -4.83 -0.04 0.00 -1.84 0.00 0.00 35.03 28.80 3gfg n LYS 351 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3gfg s ARG 352 N -5.69 1.14 0.23 1.97 1.70 -0.99 -5.05 118.95 112.26 3gfg s ARG 352 Ca 0.32 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.64 3gfg s ARG 352 Cb -0.14 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3gfg s ARG 352 CO 0.50 -0.47 1.30 0.99 -1.08 0.00 0.00 175.30 176.54 3gfg s THR 353 N -3.79 3.12 -0.28 4.99 2.01 -1.26 -4.43 115.64 116.01 3gfg s THR 353 Ca 0.02 0.97 -0.06 0.00 0.31 0.00 0.00 61.69 62.94 3gfg s THR 353 Cb 0.01 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3gfg s THR 353 CO -0.12 0.17 0.06 -0.63 -0.69 0.00 0.00 174.62 173.41 3gfg s ILE 354 N -0.22 3.89 0.15 1.82 -1.09 -0.13 -4.97 121.20 120.65 3gfg s ILE 354 Ca 0.54 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 58.04 3gfg s ILE 354 Cb -0.37 -2.96 -0.08 0.00 -1.58 0.00 0.00 42.46 37.47 3gfg s ILE 354 CO 0.41 0.16 1.38 -0.04 -1.23 0.00 0.00 174.94 175.62 3gfg s MET 355 N 1.50 4.33 0.12 2.79 -1.94 -1.26 -1.67 119.30 123.17 3gfg s MET 355 Ca 0.03 2.10 -0.26 0.00 -1.71 0.00 0.00 55.69 55.86 3gfg s MET 355 Cb -0.17 -3.22 -0.07 0.00 2.01 0.00 0.00 34.83 33.39 3gfg s MET 355 CO 0.02 -0.39 0.79 -0.51 -0.01 0.00 0.00 175.02 174.91 3gfg s LEU 356 N 0.66 4.53 0.00 -0.03 1.43 0.81 -4.96 118.68 121.13 3gfg s LEU 356 Ca 0.62 1.58 0.28 0.00 -1.03 0.00 0.00 54.13 55.59 3gfg s LEU 356 Cb -0.37 -3.29 1.70 0.00 0.03 0.00 0.00 46.19 44.25 3gfg s LEU 356 CO 0.33 0.12 2.04 -1.84 0.23 0.00 0.00 176.35 177.23