#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s ILE 14 N 0.00 4.57 -0.28 1.09 1.01 0.84 -4.78 121.20 123.65 3gfg s ILE 14 Ca 0.00 1.75 -0.24 0.00 0.00 0.00 0.00 60.65 62.17 3gfg s ILE 14 Cb 0.00 -4.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 3gfg s ILE 14 CO 0.00 -0.39 0.80 -0.54 0.00 0.00 0.00 174.94 174.81 3gfg s LYS 15 N 3.49 4.06 -0.05 2.79 -0.14 -1.26 -1.24 119.74 127.39 3gfg s LYS 15 Ca 0.44 0.74 0.02 0.00 -1.36 0.00 0.00 55.97 55.81 3gfg s LYS 15 Cb -0.13 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.30 3gfg s LYS 15 CO 0.13 -0.60 -0.10 0.08 -0.76 0.00 0.00 175.35 174.10 3gfg s VAL 16 N 2.90 3.44 -0.04 3.17 1.01 -0.55 -0.30 120.40 130.03 3gfg s VAL 16 Ca 0.33 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3gfg s VAL 16 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3gfg s VAL 16 CO 0.10 0.55 -0.15 -0.83 0.00 0.00 0.00 175.10 174.78 3gfg s GLY 17 N -0.90 1.53 -0.13 4.51 0.00 -0.20 -1.00 107.32 111.12 3gfg s GLY 17 Ca 0.13 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3gfg s GLY 17 CO 0.02 -0.80 -0.15 -0.42 0.00 0.00 0.00 173.10 171.75 3gfg s ILE 18 N -0.75 2.87 -0.32 0.90 1.01 -0.38 -0.37 121.20 124.17 3gfg s ILE 18 Ca 0.12 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 3gfg s ILE 18 Cb -0.11 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3gfg s ILE 18 CO 0.01 0.53 0.44 -0.76 0.00 0.00 0.00 174.94 175.16 3gfg s LEU 19 N 0.37 4.25 0.00 2.97 1.43 0.73 -0.94 118.68 127.50 3gfg s LEU 19 Ca -0.12 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3gfg s LEU 19 Cb -0.16 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.57 3gfg s LEU 19 CO 0.06 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.91 3gfg n GLY 20 N 4.76 -0.50 2.77 -3.19 0.00 0.14 -1.27 105.19 107.91 3gfg n GLY 20 Ca -0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 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 0.20 0.57 -0.41 1.61 9.36 -1.26 -4.43 117.16 122.79 3gfg n TYR 21 Ca 0.00 -2.19 0.00 0.00 3.32 0.00 0.00 57.90 59.03 3gfg n TYR 21 Cb 0.00 0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 -0.64 1.35 0.37 2.98 0.00 -1.26 -4.40 105.19 103.59 3gfg n GLY 22 Ca 0.03 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.44 0.08 0.99 5.85 -1.98 -0.98 115.31 117.83 3gfg h LEU 23 Ca 0.00 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3gfg h LEU 23 Cb 0.00 0.58 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3gfg h LEU 23 CO 0.00 -0.37 -0.46 0.28 -0.34 0.00 0.00 178.44 177.55 3gfg h SER 24 N -0.41 -1.40 -0.16 1.25 0.02 -1.93 -0.65 113.55 110.26 3gfg h SER 24 Ca 0.04 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3gfg h SER 24 Cb 0.52 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3gfg h SER 24 CO -0.41 -0.48 0.10 1.23 -1.14 0.00 0.00 176.83 176.14 3gfg h GLY 25 N -0.63 0.23 1.71 -3.77 0.00 -1.76 -0.03 103.07 98.81 3gfg h GLY 25 Ca -0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 3gfg h GLY 25 CO -0.27 0.10 -1.20 1.48 0.00 0.00 0.00 176.54 176.65 3gfg h SER 26 N 0.18 0.19 0.00 0.19 4.64 -1.16 0.20 113.55 117.79 3gfg h SER 26 Ca 0.06 -0.22 -0.28 0.00 -0.47 0.00 0.00 61.79 60.89 3gfg h SER 26 Cb 0.03 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 3gfg h SER 26 CO -0.01 1.17 -2.00 0.52 -0.87 0.00 0.00 176.83 175.64 3gfg n VAL 27 N -3.40 1.00 -0.03 0.95 0.31 -0.26 -4.18 118.33 112.72 3gfg n VAL 27 Ca -0.06 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 3gfg n VAL 27 Cb 0.99 -1.30 -0.14 0.00 -0.91 0.00 0.00 33.84 32.48 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 -3.24 0.86 -0.07 3.52 3.72 -0.17 -4.41 117.46 117.66 3gfg n PHE 28 Ca -0.32 0.28 -0.12 0.00 -0.05 0.00 0.00 57.45 57.23 3gfg n PHE 28 Cb 0.81 -1.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.16 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 -3.08 0.00 -0.28 1.38 8.25 -0.39 -4.57 115.22 116.54 3gfg n HIS 29 Ca -0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 3gfg n HIS 29 Cb 1.07 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 3gfg n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gfg n GLY 30 N 1.85 -2.32 0.26 -1.41 0.00 0.06 -1.12 105.19 102.50 3gfg n GLY 30 Ca -0.21 0.90 0.09 0.00 0.00 0.00 0.00 46.02 46.79 3gfg n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gfg h PRO 31 N 0.00 0.00 0.21 1.61 0.11 -1.77 -0.34 132.00 131.82 3gfg h PRO 31 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3gfg h PRO 31 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3gfg h PRO 31 CO -0.62 0.05 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.06 3gfg h LEU 32 N 0.00 -0.24 -1.30 2.35 3.38 -1.37 -3.16 115.31 114.98 3gfg h LEU 32 Ca -0.00 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.76 3gfg h LEU 32 Cb 0.10 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3gfg h LEU 32 CO 0.01 0.27 0.53 -0.07 0.09 0.00 0.00 178.44 179.26 3gfg h LEU 33 N -0.86 0.73 -2.13 1.67 3.38 -0.96 -2.41 115.31 114.74 3gfg h LEU 33 Ca -0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gfg h LEU 33 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gfg h LEU 33 CO 0.05 0.45 0.01 -0.78 0.09 0.00 0.00 178.44 178.26 3gfg h ASP 34 N 0.81 0.00 0.80 -0.43 3.58 -1.05 -1.87 116.42 118.26 3gfg h ASP 34 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 3gfg h ASP 34 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3gfg h ASP 34 CO -0.13 0.00 -0.57 1.33 -2.88 0.00 0.00 179.24 176.98 3gfg n VAL 35 N -4.35 0.27 -3.10 2.25 0.24 -0.91 -4.81 118.33 107.93 3gfg n VAL 35 Ca -0.03 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 61.65 3gfg n VAL 35 Cb 0.11 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.34 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 -3.94 4.14 0.53 1.34 1.43 -0.71 -4.95 118.68 116.54 3gfg s LEU 36 Ca 0.07 0.44 0.27 0.00 -1.03 0.00 0.00 54.13 53.88 3gfg s LEU 36 Cb 0.14 -2.84 1.41 0.00 0.03 0.00 0.00 46.19 44.94 3gfg s LEU 36 CO 0.71 -0.50 1.97 0.44 0.23 0.00 0.00 176.35 179.20 3gfg h ASP 37 N 8.19 0.01 0.03 2.29 3.45 -1.87 -2.15 116.42 126.36 3gfg h ASP 37 Ca -0.26 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.19 3gfg h ASP 37 Cb 1.12 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.88 3gfg h ASP 37 CO 0.81 0.00 -0.01 -0.33 -1.57 0.00 0.00 179.24 178.14 3gfg h GLU 38 N 0.01 0.00 -6.19 3.56 3.07 -1.92 -3.44 114.58 109.67 3gfg h GLU 38 Ca 0.29 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.48 3gfg h GLU 38 Cb 1.17 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.91 3gfg h GLU 38 CO -0.01 0.01 -0.68 0.71 -1.40 0.00 0.00 179.01 177.64 3gfg s TYR 39 N -4.65 2.96 -0.12 4.33 2.02 -0.81 -0.11 117.35 120.97 3gfg s TYR 39 Ca -0.05 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3gfg s TYR 39 Cb 0.15 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3gfg s TYR 39 CO 0.56 0.39 -0.14 -1.14 -1.57 0.00 0.00 175.55 173.65 3gfg s GLN 40 N -1.21 2.15 -0.22 -0.62 0.74 -0.37 -4.85 119.66 115.28 3gfg s GLN 40 Ca 0.16 -0.52 -0.20 0.00 0.05 0.00 0.00 55.36 54.85 3gfg s GLN 40 Cb -0.11 -1.91 -0.03 0.00 1.10 0.00 0.00 33.01 32.07 3gfg s GLN 40 CO 0.06 -0.14 0.59 -1.50 -0.55 0.00 0.00 175.29 173.75 3gfg s ILE 41 N 1.21 5.04 -0.24 -2.34 1.10 -1.26 -1.48 121.20 123.22 3gfg s ILE 41 Ca -0.02 1.08 -0.01 0.00 -0.51 0.00 0.00 60.65 61.19 3gfg s ILE 41 Cb -0.14 -3.90 -0.15 0.00 0.15 0.00 0.00 42.46 38.42 3gfg s ILE 41 CO -0.05 0.10 -0.23 -1.20 -2.11 0.00 0.00 174.94 171.46 3gfg n SER 42 N 5.22 2.11 -3.89 4.50 7.64 -0.17 -4.30 113.62 124.72 3gfg n SER 42 Ca -0.02 -0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.69 3gfg n SER 42 Cb 0.50 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 3gfg n SER 42 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gfg s LYS 43 N -2.47 0.30 -0.07 1.43 1.02 -1.16 -0.41 119.74 118.39 3gfg s LYS 43 Ca -0.32 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.41 3gfg s LYS 43 Cb 0.09 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 3gfg s LYS 43 CO 0.53 -0.06 -0.06 0.42 -0.92 0.00 0.00 175.35 175.26 3gfg s ILE 44 N -0.87 0.72 -0.34 2.17 1.01 0.10 -1.24 121.20 122.74 3gfg s ILE 44 Ca -0.10 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 3gfg s ILE 44 Cb -0.06 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.67 3gfg s ILE 44 CO 0.00 0.29 0.87 -0.32 0.00 0.00 0.00 174.94 175.78 3gfg s MET 45 N 1.27 3.88 -0.24 2.79 -2.45 -0.11 -0.24 119.30 124.20 3gfg s MET 45 Ca -0.05 0.57 -0.32 0.00 -1.25 0.00 0.00 55.69 54.64 3gfg s MET 45 Cb -0.14 -3.78 0.16 0.00 1.25 0.00 0.00 34.83 32.33 3gfg s MET 45 CO -0.02 -0.84 1.25 -0.08 1.05 0.00 0.00 175.02 176.38 3gfg s THR 46 N 3.25 0.00 -0.19 10.11 -1.32 -0.66 -0.69 115.64 126.14 3gfg s THR 46 Ca 0.36 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.01 3gfg s THR 46 Cb -0.13 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3gfg s THR 46 CO 0.16 0.00 1.27 0.77 -2.21 0.00 0.00 174.62 174.61 3gfg h SER 47 N 2.12 0.00 0.00 8.08 4.64 -1.94 -3.42 113.55 123.03 3gfg h SER 47 Ca -0.10 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.80 3gfg h SER 47 Cb 1.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3gfg h SER 47 CO 0.23 0.41 2.36 0.54 -0.87 0.00 0.00 176.83 179.50 3gfg n ARG 48 N -3.07 1.70 -0.01 4.77 1.74 -1.26 -4.66 116.66 115.87 3gfg n ARG 48 Ca -0.01 -1.48 -0.11 0.00 -0.77 0.00 0.00 57.85 55.48 3gfg n ARG 48 Cb 0.72 -2.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.56 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 3.82 1.06 -0.64 0.55 2.02 -2.00 -2.73 112.91 114.99 3gfg h THR 49 Ca 0.43 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 3gfg h THR 49 Cb 0.30 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3gfg h THR 49 CO 1.57 0.06 0.38 -0.33 0.37 0.00 0.00 175.52 177.57 3gfg h GLU 50 N 0.11 0.87 -0.62 6.66 4.39 -2.00 -1.40 114.58 122.59 3gfg h GLU 50 Ca 0.04 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3gfg h GLU 50 Cb 0.04 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 3gfg h GLU 50 CO -0.01 0.63 0.40 0.93 -1.16 0.00 0.00 179.01 179.80 3gfg h GLU 51 N 0.87 0.79 -0.19 2.33 5.08 -1.93 -2.24 114.58 119.29 3gfg h GLU 51 Ca 0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3gfg h GLU 51 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3gfg h GLU 51 CO -0.04 0.53 0.09 0.28 -1.00 0.00 0.00 179.01 178.86 3gfg h VAL 52 N 0.82 1.14 -1.01 3.13 2.07 -1.29 -2.34 116.25 118.76 3gfg h VAL 52 Ca 0.23 -0.42 0.24 0.00 0.82 0.00 0.00 66.70 67.58 3gfg h VAL 52 Cb -0.07 1.07 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 3gfg h VAL 52 CO -0.06 0.14 0.62 0.50 0.02 0.00 0.00 177.57 178.79 3gfg h LYS 53 N 0.17 0.53 0.00 1.57 3.64 -1.05 0.52 116.57 121.94 3gfg h LYS 53 Ca 0.06 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3gfg h LYS 53 Cb 0.14 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3gfg h LYS 53 CO -0.01 0.35 -0.54 0.00 -2.27 0.00 0.00 179.45 176.99 3gfg h ARG 54 N 0.55 0.00 0.03 1.90 3.08 -0.99 -3.22 114.38 115.72 3gfg h ARG 54 Ca 0.61 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.30 3gfg h ARG 54 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.26 3gfg h ARG 54 CO -0.39 0.54 -2.20 -0.25 -1.07 0.00 0.00 179.97 176.59 3gfg n ASP 55 N -3.24 1.29 -3.44 7.04 8.00 -0.72 -4.77 116.55 120.71 3gfg n ASP 55 Ca 0.02 0.08 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 3gfg n ASP 55 Cb 0.74 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.54 0.86 0.50 1.24 0.08 0.17 -5.00 117.98 113.30 3gfg s PHE 56 Ca -0.20 -1.89 0.17 0.00 0.12 0.00 0.00 56.93 55.13 3gfg s PHE 56 Cb 0.07 -0.92 1.21 0.00 -0.57 0.00 0.00 43.02 42.82 3gfg s PHE 56 CO 0.74 -0.83 2.09 -1.35 -0.10 0.00 0.00 175.22 175.77 3gfg h PRO 57 N 6.49 0.12 -0.01 0.24 0.11 -1.72 -1.99 132.00 135.24 3gfg h PRO 57 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3gfg h PRO 57 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3gfg h PRO 57 CO 0.30 0.08 -0.37 -0.25 -0.21 0.00 0.00 178.00 177.55 3gfg n ASP 58 N -4.49 0.94 -4.81 -2.05 8.00 -1.26 -4.90 116.55 107.97 3gfg n ASP 58 Ca 0.02 -0.75 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 3gfg n ASP 58 Cb 0.23 0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.66 2.94 -0.22 2.24 0.00 -0.75 -4.93 121.76 118.38 3gfg s ALA 59 Ca 0.19 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 3gfg s ALA 59 Cb 0.19 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 3gfg s ALA 59 CO 0.59 -0.25 0.08 -2.00 0.00 0.00 0.00 175.76 174.17 3gfg s GLU 60 N -3.51 3.83 -0.05 0.00 2.12 0.45 -4.94 118.70 116.61 3gfg s GLU 60 Ca 0.64 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 55.29 3gfg s GLU 60 Cb -0.13 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3gfg s GLU 60 CO 0.23 0.04 0.86 0.08 -0.54 0.00 0.00 175.26 175.92 3gfg s VAL 61 N 1.02 4.94 0.36 3.70 1.01 -1.26 -0.72 120.40 129.44 3gfg s VAL 61 Ca 0.04 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.84 3gfg s VAL 61 Cb -0.14 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3gfg s VAL 61 CO 0.03 0.17 0.05 0.68 0.00 0.00 0.00 175.10 176.04 3gfg s VAL 62 N 1.09 1.29 0.00 2.92 -7.23 0.66 -4.91 120.40 114.23 3gfg s VAL 62 Ca 0.45 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3gfg s VAL 62 Cb -0.19 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3gfg s VAL 62 CO 0.22 0.00 0.00 1.41 -0.31 0.00 0.00 175.10 176.42 3gfg n HIS 63 N -0.79 0.00 -4.99 2.82 8.25 -1.26 -1.65 115.22 117.59 3gfg n HIS 63 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 3gfg n HIS 63 Cb 0.67 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.88 2.07 0.31 -0.41 2.56 -1.26 -4.89 118.70 116.20 3gfg s GLU 64 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 54.97 54.02 3gfg s GLU 64 Cb 0.00 -2.10 0.54 0.00 2.00 0.00 0.00 34.13 34.56 3gfg s GLU 64 CO 0.00 0.55 1.92 1.25 -0.56 0.00 0.00 175.26 178.43 3gfg h LEU 65 N 5.06 0.89 0.00 2.70 5.85 -2.01 -2.72 115.31 125.07 3gfg h LEU 65 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3gfg h LEU 65 Cb 1.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3gfg h LEU 65 CO 0.47 0.58 0.00 -0.62 -0.34 0.00 0.00 178.44 178.53 3gfg n GLU 66 N -4.48 0.14 0.00 1.25 4.71 -1.26 -1.73 120.64 119.28 3gfg n GLU 66 Ca 0.13 0.18 0.14 0.00 -0.01 0.00 0.00 57.16 57.60 3gfg n GLU 66 Cb 0.18 -1.50 0.64 0.00 -1.01 0.00 0.00 31.44 29.75 3gfg n GLU 66 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3gfg n GLU 67 N -1.36 0.55 -0.07 3.49 1.02 -1.03 -1.66 120.64 121.59 3gfg n GLU 67 Ca 0.06 -0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 3gfg n GLU 67 Cb 0.14 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 3gfg n GLU 67 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3gfg n ILE 68 N -1.10 0.95 -0.14 -3.67 5.41 -0.71 -4.40 119.36 115.70 3gfg n ILE 68 Ca 0.14 -0.15 -0.08 0.00 1.00 0.00 0.00 62.75 63.66 3gfg n ILE 68 Cb 0.27 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 3gfg n ILE 68 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3gfg h THR 69 N -0.57 1.15 0.00 1.39 1.35 -1.54 -2.51 112.91 112.18 3gfg h THR 69 Ca -0.34 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3gfg h THR 69 Cb 1.23 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3gfg h THR 69 CO -0.21 0.15 0.00 0.59 -0.25 0.00 0.00 175.52 175.81 3gfg n ASN 70 N -4.73 0.11 -4.62 5.36 3.02 -0.66 -4.74 115.26 108.99 3gfg n ASN 70 Ca 0.01 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.64 3gfg n ASN 70 Cb 0.07 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 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 -3.20 6.66 0.48 6.41 -1.08 -0.95 -4.93 116.67 120.07 3gfg s ASP 71 Ca 0.12 1.05 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 3gfg s ASP 71 Cb 0.16 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.19 3gfg s ASP 71 CO 0.47 -1.12 2.05 1.55 0.52 0.00 0.00 175.17 178.64 3gfg h PRO 72 N 9.29 0.00 0.00 4.34 0.13 -1.86 -3.23 132.00 140.66 3gfg h PRO 72 Ca -0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 3gfg h PRO 72 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3gfg h PRO 72 CO 1.05 0.12 -0.69 0.00 -0.23 0.00 0.00 178.00 178.25 3gfg h ALA 73 N 1.88 0.73 -2.71 -0.56 0.00 -1.94 -3.45 119.26 113.22 3gfg h ALA 73 Ca -0.00 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 3gfg h ALA 73 Cb 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.94 3gfg h ALA 73 CO 0.01 0.86 0.80 0.42 0.00 0.00 0.00 179.25 181.35 3gfg s ILE 74 N -3.22 2.61 -0.10 0.00 -1.09 -1.22 -4.68 121.20 113.49 3gfg s ILE 74 Ca 0.00 0.49 0.04 0.00 -2.23 0.00 0.00 60.65 58.95 3gfg s ILE 74 Cb 0.11 -3.31 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 3gfg s ILE 74 CO 0.77 0.07 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.88 3gfg n GLU 75 N 2.79 1.37 -4.08 2.79 1.02 0.59 -4.93 120.64 120.19 3gfg n GLU 75 Ca 0.09 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 3gfg n GLU 75 Cb 0.40 -1.22 -0.15 0.00 -0.02 0.00 0.00 31.44 30.44 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 -5.17 1.72 -0.08 -4.62 2.96 -0.97 -1.98 118.68 110.53 3gfg s LEU 76 Ca -0.10 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3gfg s LEU 76 Cb 0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.45 3gfg s LEU 76 CO 0.30 0.00 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.45 3gfg s VAL 77 N 0.30 2.49 -0.31 1.68 1.01 0.27 -1.04 120.40 124.81 3gfg s VAL 77 Ca -0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3gfg s VAL 77 Cb -0.06 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3gfg s VAL 77 CO -0.00 0.56 0.18 -0.63 0.00 0.00 0.00 175.10 175.20 3gfg s ILE 78 N -0.04 4.85 -0.47 2.22 -1.09 0.50 -1.59 121.20 125.58 3gfg s ILE 78 Ca -0.06 -0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 57.86 3gfg s ILE 78 Cb -0.15 -3.46 0.04 0.00 -1.58 0.00 0.00 42.46 37.32 3gfg s ILE 78 CO 0.05 0.07 0.61 -0.69 -1.23 0.00 0.00 174.94 173.74 3gfg s VAL 79 N 1.66 4.88 -0.01 2.92 1.01 0.08 -0.19 120.40 130.74 3gfg s VAL 79 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3gfg s VAL 79 Cb -0.17 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3gfg s VAL 79 CO 0.08 -0.67 0.92 0.35 0.00 0.00 0.00 175.10 175.78 3gfg n THR 80 N 5.69 0.86 -0.92 3.92 -2.24 -0.40 -2.00 114.28 119.19 3gfg n THR 80 Ca -0.05 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 3gfg n THR 80 Cb 0.47 0.54 0.19 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.93 2.23 0.91 4.28 -4.23 -1.17 -4.71 115.64 112.03 3gfg s THR 81 Ca 0.02 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 3gfg s THR 81 Cb 0.02 -2.37 0.14 0.00 1.34 0.00 0.00 72.50 71.63 3gfg s THR 81 CO 0.00 -0.10 1.10 -2.84 -0.54 0.00 0.00 174.62 172.24 3gfg s PRO 82 N -4.75 1.08 0.43 3.99 0.02 -1.26 -4.82 135.00 129.68 3gfg s PRO 82 Ca 0.66 1.17 0.25 0.00 0.02 0.00 0.00 61.00 63.09 3gfg s PRO 82 Cb -0.21 -1.76 1.26 0.00 0.02 0.00 0.00 34.50 33.81 3gfg s PRO 82 CO 0.60 -2.47 1.73 1.03 -0.33 0.00 0.00 177.00 177.56 3gfg h SER 83 N -1.73 0.32 -0.34 2.53 0.87 -1.93 -2.12 113.55 111.15 3gfg h SER 83 Ca -0.48 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3gfg h SER 83 Cb 1.27 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3gfg h SER 83 CO 0.48 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.39 3gfg n GLY 84 N -1.53 0.78 0.29 5.77 0.00 -1.26 -3.24 105.19 106.00 3gfg n GLY 84 Ca 0.29 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 0.64 1.82 -0.04 0.99 4.32 -0.80 -4.77 117.00 119.15 3gfg n LEU 85 Ca 0.15 -1.29 -0.09 0.00 -0.02 0.00 0.00 56.01 54.76 3gfg n LEU 85 Cb 0.35 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 3gfg n LEU 85 CO 0.11 0.41 0.89 0.45 -1.22 0.00 0.00 177.39 178.03 3gfg h HIS 86 N 1.22 0.08 0.56 -1.77 3.86 -1.65 0.77 115.15 118.21 3gfg h HIS 86 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3gfg h HIS 86 Cb 0.37 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.84 3gfg h HIS 86 CO 0.04 0.03 -0.27 -0.92 0.86 0.00 0.00 177.93 177.67 3gfg h TYR 87 N 0.13 -0.70 -0.02 2.45 3.20 -1.86 0.24 116.97 120.40 3gfg h TYR 87 Ca 0.09 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 3gfg h TYR 87 Cb 0.08 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 3gfg h TYR 87 CO -0.14 -0.40 -0.41 1.49 -1.64 0.00 0.00 178.16 177.06 3gfg h GLU 88 N -0.82 -0.53 -0.63 1.82 4.81 -1.86 -0.78 114.58 116.59 3gfg h GLU 88 Ca -0.08 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3gfg h GLU 88 Cb 0.60 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3gfg h GLU 88 CO 0.13 -0.35 0.11 0.45 -0.73 0.00 0.00 179.01 178.61 3gfg h HIS 89 N -0.55 1.09 -0.19 0.92 3.86 -0.75 -2.47 115.15 117.07 3gfg h HIS 89 Ca 0.05 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 3gfg h HIS 89 Cb 0.64 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 3gfg h HIS 89 CO -0.42 0.93 -0.14 1.15 0.86 0.00 0.00 177.93 180.30 3gfg h THR 90 N 0.94 1.33 -0.31 2.45 2.02 -0.33 -2.68 112.91 116.33 3gfg h THR 90 Ca 0.19 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 3gfg h THR 90 Cb 0.42 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3gfg h THR 90 CO 0.01 0.38 0.08 -0.03 0.37 0.00 0.00 175.52 176.33 3gfg h MET 91 N 0.09 0.45 -0.12 6.66 -1.53 -1.11 -0.62 114.93 118.75 3gfg h MET 91 Ca 0.03 -0.06 -0.20 0.00 -3.44 0.00 0.00 59.70 56.03 3gfg h MET 91 Cb 0.66 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 3gfg h MET 91 CO 0.04 0.41 -0.74 0.00 0.14 0.00 0.00 176.91 176.76 3gfg h ALA 92 N 1.65 0.47 -0.97 0.39 0.00 -1.34 -1.64 119.26 117.82 3gfg h ALA 92 Ca 0.11 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3gfg h ALA 92 Cb 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3gfg h ALA 92 CO -0.00 0.72 0.64 0.00 0.00 0.00 0.00 179.25 180.61 3gfg h ILE 94 N 1.30 1.17 -0.73 0.00 2.04 -0.98 -0.71 117.51 119.60 3gfg h ILE 94 Ca 0.36 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3gfg h ILE 94 Cb -0.13 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3gfg h ILE 94 CO -0.08 0.17 0.48 1.56 0.00 0.00 0.00 178.15 180.27 3gfg h GLN 95 N 0.14 0.67 -0.04 2.37 1.08 -1.18 -1.17 115.11 116.98 3gfg h GLN 95 Ca 0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3gfg h GLN 95 Cb 0.20 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3gfg h GLN 95 CO -0.00 0.44 0.00 0.00 -0.95 0.00 0.00 178.83 178.32 3gfg n ALA 96 N -2.46 2.60 -1.93 3.87 0.00 -0.86 -4.92 120.51 116.82 3gfg n ALA 96 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3gfg n ALA 96 Cb 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.05 0.48 3.90 0.00 0.00 -0.44 -5.00 105.19 105.18 3gfg n GLY 97 Ca 0.19 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.90 3.36 0.38 1.61 -0.14 -0.31 -5.00 119.74 115.74 3gfg s LYS 98 Ca 0.00 -0.49 -0.24 0.00 -1.36 0.00 0.00 55.97 53.88 3gfg s LYS 98 Cb 0.00 -2.99 -0.10 0.00 -1.68 0.00 0.00 37.83 33.07 3gfg s LYS 98 CO 0.00 0.59 1.00 -1.01 -0.76 0.00 0.00 175.35 175.17 3gfg s HIS 99 N -1.52 3.39 -0.07 3.18 3.76 -0.84 -4.37 115.29 118.82 3gfg s HIS 99 Ca 0.34 1.68 0.02 0.00 -0.15 0.00 0.00 55.06 56.95 3gfg s HIS 99 Cb -0.13 -3.02 0.02 0.00 1.11 0.00 0.00 32.58 30.56 3gfg s HIS 99 CO 0.27 -0.29 -0.11 0.08 -0.85 0.00 0.00 174.74 173.84 3gfg s VAL 100 N -1.75 1.06 -0.29 -0.90 1.01 -0.40 -0.56 120.40 118.57 3gfg s VAL 100 Ca 0.56 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 3gfg s VAL 100 Cb -0.19 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3gfg s VAL 100 CO 0.24 0.35 0.19 -0.69 0.00 0.00 0.00 175.10 175.18 3gfg s VAL 101 N 0.91 5.12 -0.07 2.92 1.01 -0.62 -0.92 120.40 128.75 3gfg s VAL 101 Ca -0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3gfg s VAL 101 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3gfg s VAL 101 CO 0.01 0.18 0.28 -0.04 0.00 0.00 0.00 175.10 175.53 3gfg s MET 102 N 1.72 3.73 0.67 2.72 1.00 -0.10 -0.74 119.30 128.30 3gfg s MET 102 Ca 0.06 0.15 -0.16 0.00 0.00 0.00 0.00 55.69 55.74 3gfg s MET 102 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 34.83 31.45 3gfg s MET 102 CO 0.10 0.70 1.19 -1.21 0.00 0.00 0.00 175.02 175.80 3gfg s GLU 103 N -0.94 2.52 0.51 2.03 0.41 -0.85 -0.40 118.70 121.98 3gfg s GLU 103 Ca 0.19 1.73 -0.08 0.00 -0.41 0.00 0.00 54.97 56.40 3gfg s GLU 103 Cb -0.14 -1.88 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 3gfg s GLU 103 CO 0.08 -1.54 0.85 -1.59 -0.49 0.00 0.00 175.26 172.58 3gfg s LYS 104 N -3.74 3.61 0.41 1.61 0.00 -1.26 -3.93 119.74 116.44 3gfg s LYS 104 Ca 0.74 0.42 -0.26 0.00 0.00 0.00 0.00 55.97 56.88 3gfg s LYS 104 Cb -0.28 -2.29 -0.08 0.00 0.00 0.00 0.00 37.83 35.17 3gfg s LYS 104 CO 0.41 -0.27 1.28 -1.25 0.00 0.00 0.00 175.35 175.52 3gfg s PRO 105 N -4.68 3.95 0.00 1.78 0.04 -1.26 -5.02 135.00 129.81 3gfg s PRO 105 Ca 0.50 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.65 3gfg s PRO 105 Cb -0.10 -2.73 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 3gfg s PRO 105 CO 0.44 -0.49 1.01 1.98 0.04 0.00 0.00 177.00 179.98 3gfg h MET 106 N 2.62 -0.01 0.00 4.56 4.05 -1.87 -3.47 114.93 120.82 3gfg h MET 106 Ca -0.49 0.00 -0.41 0.00 -0.28 0.00 0.00 59.70 58.52 3gfg h MET 106 Cb 1.25 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.94 3gfg h MET 106 CO 0.62 -0.00 -0.36 0.25 0.23 0.00 0.00 176.91 177.65 3gfg n THR 107 N -2.73 0.00 0.08 -0.77 -2.24 -1.26 -4.81 114.28 102.56 3gfg n THR 107 Ca -0.00 -2.19 -0.10 0.00 -2.27 0.00 0.00 64.05 59.49 3gfg n THR 107 Cb 0.01 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 3gfg n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfg h ALA 108 N 2.05 0.36 -2.85 6.98 0.00 -1.90 -3.47 119.26 120.43 3gfg h ALA 108 Ca -0.24 -0.83 -0.47 0.00 0.00 0.00 0.00 54.91 53.36 3gfg h ALA 108 Cb 1.18 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 3gfg h ALA 108 CO 0.35 1.05 -0.77 0.95 0.00 0.00 0.00 179.25 180.83 3gfg s THR 109 N -2.89 1.62 0.30 0.00 -4.23 -1.26 -4.88 115.64 104.30 3gfg s THR 109 Ca -0.02 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3gfg s THR 109 Cb 0.09 -1.74 0.18 0.00 1.34 0.00 0.00 72.50 72.37 3gfg s THR 109 CO 0.84 -0.38 1.87 0.00 -0.54 0.00 0.00 174.62 176.41 3gfg h ALA 110 N 3.30 1.30 -0.14 3.99 0.00 -1.88 -3.06 119.26 122.77 3gfg h ALA 110 Ca -0.41 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 3gfg h ALA 110 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3gfg h ALA 110 CO 0.52 0.51 -0.39 1.49 0.00 0.00 0.00 179.25 181.37 3gfg h GLU 111 N 0.78 0.31 -0.28 0.00 4.81 -1.97 0.30 114.58 118.53 3gfg h GLU 111 Ca 0.18 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3gfg h GLU 111 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gfg h GLU 111 CO -0.01 0.66 0.05 0.93 -0.73 0.00 0.00 179.01 179.90 3gfg h GLU 112 N 0.26 0.47 -0.12 1.92 5.08 -1.98 -0.17 114.58 120.04 3gfg h GLU 112 Ca 0.03 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3gfg h GLU 112 Cb 0.81 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 3gfg h GLU 112 CO 0.06 0.58 -0.34 0.78 -1.00 0.00 0.00 179.01 179.09 3gfg h GLY 113 N 0.28 -0.50 -0.04 -3.84 0.00 -1.37 -0.72 103.07 96.89 3gfg h GLY 113 Ca 0.09 0.42 0.15 0.00 0.00 0.00 0.00 47.33 47.98 3gfg h GLY 113 CO 0.01 -0.22 0.15 0.83 0.00 0.00 0.00 176.54 177.30 3gfg h GLU 114 N -0.42 0.24 -0.64 4.80 4.39 -0.22 -1.47 114.58 121.26 3gfg h GLU 114 Ca 0.09 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3gfg h GLU 114 Cb 0.57 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3gfg h GLU 114 CO -0.35 0.16 0.12 1.15 -1.16 0.00 0.00 179.01 178.93 3gfg h THR 115 N 0.25 1.26 -0.73 1.13 2.02 -0.49 -2.54 112.91 113.81 3gfg h THR 115 Ca 0.39 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 3gfg h THR 115 Cb 0.65 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3gfg h THR 115 CO -0.50 0.37 0.19 -0.07 0.37 0.00 0.00 175.52 175.88 3gfg h LEU 116 N 0.96 1.09 -0.17 2.58 3.38 -0.56 -2.53 115.31 120.05 3gfg h LEU 116 Ca 0.20 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gfg h LEU 116 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gfg h LEU 116 CO 0.01 1.03 0.09 0.50 0.09 0.00 0.00 178.44 180.16 3gfg h LYS 117 N 1.09 0.24 -0.75 1.13 3.64 -1.12 -2.23 116.57 118.57 3gfg h LYS 117 Ca 0.23 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3gfg h LYS 117 Cb 0.35 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3gfg h LYS 117 CO -0.00 0.26 0.24 0.00 -2.27 0.00 0.00 179.45 177.68 3gfg h ARG 118 N 0.16 1.17 -0.32 1.90 3.08 -1.43 -0.48 114.38 118.45 3gfg h ARG 118 Ca 0.06 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3gfg h ARG 118 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3gfg h ARG 118 CO -0.01 0.99 0.15 0.00 -1.07 0.00 0.00 179.97 180.02 3gfg h ALA 119 N 1.14 0.41 -0.21 0.04 0.00 -1.42 0.97 119.26 120.19 3gfg h ALA 119 Ca 0.24 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gfg h ALA 119 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3gfg h ALA 119 CO -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 179.25 179.25 3gfg h ALA 120 N 1.00 0.20 -0.70 0.00 0.00 -1.08 -0.28 119.26 118.41 3gfg h ALA 120 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gfg h ALA 120 Cb 0.14 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3gfg h ALA 120 CO -0.01 -0.40 0.46 -0.44 0.00 0.00 0.00 179.25 178.85 3gfg h ASP 121 N 0.10 0.78 -0.57 0.00 3.32 -0.86 0.51 116.42 119.69 3gfg h ASP 121 Ca 0.10 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3gfg h ASP 121 Cb 0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3gfg h ASP 121 CO -0.15 0.56 0.33 -0.33 -1.72 0.00 0.00 179.24 177.92 3gfg h GLU 122 N 0.92 0.79 0.00 3.56 4.39 -0.56 -2.74 114.58 120.94 3gfg h GLU 122 Ca 0.26 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3gfg h GLU 122 Cb -0.07 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3gfg h GLU 122 CO -0.07 0.59 -0.05 1.17 -1.16 0.00 0.00 179.01 179.49 3gfg n LYS 123 N -4.61 0.24 -2.85 2.33 3.00 -0.14 -4.95 118.16 111.19 3gfg n LYS 123 Ca 0.03 0.19 -0.10 0.00 -0.00 0.00 0.00 58.31 58.43 3gfg n LYS 123 Cb 0.07 -1.77 0.05 0.00 0.00 0.00 0.00 35.03 33.38 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 1.33 0.03 3.37 3.14 0.00 0.17 -5.01 105.19 108.21 3gfg n GLY 124 Ca 0.06 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.19 1.95 0.24 1.61 -7.23 -0.59 -5.03 120.40 108.16 3gfg s VAL 125 Ca 0.06 -2.11 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 3gfg s VAL 125 Cb -0.03 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 3gfg s VAL 125 CO 0.40 -0.41 0.83 -0.76 -0.31 0.00 0.00 175.10 174.85 3gfg s LEU 126 N -3.04 4.44 -0.06 1.32 1.43 -1.26 -4.47 118.68 117.04 3gfg s LEU 126 Ca 0.21 1.67 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 3gfg s LEU 126 Cb -0.04 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3gfg s LEU 126 CO 0.08 0.06 0.12 -0.22 0.23 0.00 0.00 176.35 176.62 3gfg s LEU 127 N -1.71 0.11 0.06 1.79 2.96 -1.26 -1.28 118.68 119.35 3gfg s LEU 127 Ca 0.43 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3gfg s LEU 127 Cb -0.20 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 3gfg s LEU 127 CO 0.24 -0.24 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.44 3gfg s SER 128 N 2.12 0.70 -0.11 3.68 0.15 -0.10 -3.57 113.70 116.57 3gfg s SER 128 Ca 0.02 -0.89 0.03 0.00 0.70 0.00 0.00 55.95 55.82 3gfg s SER 128 Cb -0.12 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.33 3gfg s SER 128 CO -0.05 -0.48 -0.22 -0.69 1.20 0.00 0.00 173.24 173.01 3gfg s VAL 129 N -3.24 2.21 -1.14 4.45 1.01 -1.23 -0.92 120.40 121.55 3gfg s VAL 129 Ca 0.04 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 3gfg s VAL 129 Cb 0.03 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3gfg s VAL 129 CO -0.06 0.55 2.19 0.00 0.00 0.00 0.00 175.10 177.78 3gfg n TYR 130 N 3.64 2.43 -2.17 5.22 9.36 0.46 -4.72 117.16 131.38 3gfg n TYR 130 Ca -0.19 -2.40 -0.42 0.00 3.32 0.00 0.00 57.90 58.21 3gfg n TYR 130 Cb 0.53 -2.09 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 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 5.99 2.95 0.69 2.98 8.25 -1.26 -4.41 115.22 130.41 3gfg n HIS 131 Ca 0.53 -2.83 0.10 0.00 -0.26 0.00 0.00 57.72 55.27 3gfg n HIS 131 Cb 0.33 -2.04 0.44 0.00 1.12 0.00 0.00 29.99 29.85 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 3.90 0.06 0.00 0.41 6.94 -1.26 -2.91 115.26 122.40 3gfg n ASN 132 Ca 0.46 0.51 0.02 0.00 -0.02 0.00 0.00 54.58 55.55 3gfg n ASN 132 Cb 0.35 -0.53 0.10 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.56 0.03 0.08 -3.83 3.00 -1.26 -0.66 116.66 112.45 3gfg n ARG 133 Ca 0.05 0.35 0.10 0.00 -0.01 0.00 0.00 57.85 58.34 3gfg n ARG 133 Cb 0.25 -1.50 0.42 0.00 0.00 0.00 0.00 32.46 31.63 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 -1.40 0.12 -0.36 5.56 1.74 -1.14 -2.65 116.66 118.52 3gfg n ARG 134 Ca 0.01 0.35 0.07 0.00 -0.77 0.00 0.00 57.85 57.51 3gfg n ARG 134 Cb 0.04 -1.72 0.19 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.94 0.29 -2.33 -1.55 8.01 0.17 -4.51 117.44 115.58 3gfg n TRP 135 Ca 0.03 -1.19 -0.38 0.00 -1.31 0.00 0.00 57.50 54.65 3gfg n TRP 135 Cb 0.21 -0.25 -0.02 0.00 -2.01 0.00 0.00 31.31 29.24 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 -2.78 6.56 0.24 -0.99 1.11 -1.08 -1.29 116.67 118.44 3gfg s ASP 136 Ca 0.37 2.31 -0.04 0.00 0.18 0.00 0.00 52.55 55.37 3gfg s ASP 136 Cb 0.33 -2.61 0.44 0.00 1.07 0.00 0.00 42.92 42.15 3gfg s ASP 136 CO 0.01 -0.65 1.75 -0.55 1.18 0.00 0.00 175.17 176.91 3gfg h ASN 137 N 2.64 0.39 -0.17 0.27 7.08 -1.83 0.66 115.58 124.61 3gfg h ASN 137 Ca -0.49 0.09 -0.16 0.00 -3.08 0.00 0.00 56.30 52.67 3gfg h ASN 137 Cb 1.23 0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 37.51 3gfg h ASN 137 CO 0.63 0.17 -0.46 -2.24 -2.08 0.00 0.00 177.43 173.45 3gfg h ASP 138 N 0.53 0.79 -0.30 6.14 3.04 -1.93 -2.18 116.42 122.51 3gfg h ASP 138 Ca 0.41 -0.38 -0.07 0.00 -3.24 0.00 0.00 57.03 53.74 3gfg h ASP 138 Cb 0.57 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 3gfg h ASP 138 CO -0.36 1.12 -0.10 0.15 -2.04 0.00 0.00 179.24 178.01 3gfg h PHE 139 N 0.58 0.67 -0.45 4.15 3.57 -1.63 -2.39 116.94 121.45 3gfg h PHE 139 Ca 0.04 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.46 3gfg h PHE 139 Cb 1.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3gfg h PHE 139 CO 0.05 0.80 0.31 -0.07 -2.23 0.00 0.00 178.31 177.18 3gfg h LEU 140 N 0.35 0.21 -0.22 0.59 3.38 -0.77 -0.37 115.31 118.48 3gfg h LEU 140 Ca 0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3gfg h LEU 140 Cb 0.61 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3gfg h LEU 140 CO 0.04 0.13 -0.60 0.74 0.09 0.00 0.00 178.44 178.84 3gfg h THR 141 N 0.24 1.29 -0.50 0.22 2.02 -1.15 -1.24 112.91 113.78 3gfg h THR 141 Ca 0.21 -1.80 -0.07 0.00 0.77 0.00 0.00 66.41 65.52 3gfg h THR 141 Cb 0.51 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3gfg h THR 141 CO -0.04 0.58 0.05 0.40 0.37 0.00 0.00 175.52 176.88 3gfg h ILE 142 N 0.55 1.26 -0.63 3.11 2.04 -0.86 -1.39 117.51 121.59 3gfg h ILE 142 Ca -0.01 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3gfg h ILE 142 Cb 1.22 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3gfg h ILE 142 CO 0.13 0.35 0.38 0.11 0.00 0.00 0.00 178.15 179.12 3gfg h LYS 143 N 0.72 0.73 -0.28 2.37 1.57 -0.98 -0.99 116.57 119.71 3gfg h LYS 143 Ca 0.15 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3gfg h LYS 143 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3gfg h LYS 143 CO 0.02 0.48 0.11 -0.22 -0.57 0.00 0.00 179.45 179.27 3gfg h LYS 144 N 0.75 0.42 -0.89 3.15 3.64 -1.07 -1.40 116.57 121.18 3gfg h LYS 144 Ca 0.25 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3gfg h LYS 144 Cb 0.03 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3gfg h LYS 144 CO -0.11 0.45 0.59 -0.07 -2.27 0.00 0.00 179.45 178.04 3gfg h LEU 145 N 0.30 1.01 -0.31 5.20 3.38 -0.98 -0.38 115.31 123.53 3gfg h LEU 145 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3gfg h LEU 145 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3gfg h LEU 145 CO -0.01 0.73 0.03 0.40 0.09 0.00 0.00 178.44 179.68 3gfg h ILE 146 N 1.19 1.25 0.00 1.22 2.04 -1.00 0.28 117.51 122.49 3gfg h ILE 146 Ca 0.33 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3gfg h ILE 146 Cb -0.12 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3gfg h ILE 146 CO -0.08 0.29 -0.18 0.77 0.00 0.00 0.00 178.15 178.95 3gfg h SER 147 N 0.34 0.00 0.17 1.72 4.64 -0.93 -2.52 113.55 116.97 3gfg h SER 147 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3gfg h SER 147 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3gfg h SER 147 CO 0.01 0.18 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.44 3gfg n GLU 148 N -3.30 1.06 -0.69 4.77 1.02 -0.18 -4.93 120.64 118.39 3gfg n GLU 148 Ca 0.01 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 3gfg n GLU 148 Cb 0.43 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.22 0.58 0.19 0.62 0.00 -0.95 -4.97 105.19 101.89 3gfg n GLY 149 Ca 0.17 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 1.15 0.91 -3.18 1.61 7.64 0.95 -4.34 113.62 118.36 3gfg n SER 150 Ca 0.00 -0.75 -0.21 0.00 1.01 0.00 0.00 58.87 58.92 3gfg n SER 150 Cb 0.00 0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 3gfg n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gfg n LEU 151 N -0.84 0.92 -4.79 -3.43 4.77 -1.20 -4.75 117.00 107.67 3gfg n LEU 151 Ca 0.11 -4.96 -0.35 0.00 -0.03 0.00 0.00 56.01 50.78 3gfg n LEU 151 Cb 0.34 0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3gfg n LEU 151 CO 0.28 2.21 0.73 -1.61 -1.33 0.00 0.00 177.39 177.68 3gfg s GLU 152 N -2.07 3.96 -1.11 3.23 0.41 -1.26 -4.20 118.70 117.66 3gfg s GLU 152 Ca 0.39 1.47 -0.26 0.00 -0.41 0.00 0.00 54.97 56.16 3gfg s GLU 152 Cb 0.28 -2.33 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 3gfg s GLU 152 CO -0.09 -0.31 0.66 -3.47 -0.49 0.00 0.00 175.26 171.56 3gfg n ASP 153 N -0.51 -4.30 -4.66 -0.19 -0.08 -1.26 -2.17 116.55 103.38 3gfg n ASP 153 Ca 0.07 -1.22 -0.49 0.00 -1.51 0.00 0.00 54.79 51.65 3gfg n ASP 153 Cb 0.51 -1.60 -0.05 0.00 2.34 0.00 0.00 41.12 42.31 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3gfg n ILE 154 N -4.40 0.14 -0.06 5.18 5.41 -1.26 -3.07 119.36 121.29 3gfg n ILE 154 Ca -0.17 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.48 3gfg n ILE 154 Cb 0.60 -1.43 -0.08 0.00 -0.71 0.00 0.00 39.64 38.02 3gfg n ILE 154 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3gfg n ASN 155 N 4.01 2.48 -4.13 4.38 0.23 0.20 -4.66 115.26 117.77 3gfg n ASN 155 Ca 0.19 -0.03 -0.28 0.00 -0.53 0.00 0.00 54.58 53.93 3gfg n ASN 155 Cb 0.26 0.36 -0.16 0.00 -2.08 0.00 0.00 39.78 38.16 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 -2.28 1.55 -0.30 5.53 2.01 -0.93 -1.06 115.64 120.15 3gfg s THR 156 Ca -0.11 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3gfg s THR 156 Cb 0.04 -1.35 0.10 0.00 0.01 0.00 0.00 72.50 71.30 3gfg s THR 156 CO 0.41 0.44 0.11 -0.47 -0.69 0.00 0.00 174.62 174.43 3gfg s TYR 157 N 0.31 0.97 -0.16 4.92 5.04 -0.31 -0.99 117.35 127.13 3gfg s TYR 157 Ca -0.11 -1.26 -0.00 0.00 -2.44 0.00 0.00 57.07 53.25 3gfg s TYR 157 Cb -0.15 -1.27 -0.01 0.00 0.35 0.00 0.00 41.96 40.88 3gfg s TYR 157 CO 0.05 -0.84 -0.13 -0.65 -1.34 0.00 0.00 175.55 172.63 3gfg s GLN 158 N 1.88 3.28 -0.06 4.97 -0.21 -0.42 0.03 119.66 129.13 3gfg s GLN 158 Ca 0.09 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.77 3gfg s GLN 158 Cb -0.17 -2.69 0.02 0.00 1.00 0.00 0.00 33.01 31.18 3gfg s GLN 158 CO -0.31 0.02 -0.08 0.08 -2.12 0.00 0.00 175.29 172.89 3gfg s VAL 159 N 0.82 0.80 -0.05 1.09 1.01 -0.26 -0.97 120.40 122.84 3gfg s VAL 159 Ca -0.04 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3gfg s VAL 159 Cb -0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3gfg s VAL 159 CO 0.00 0.28 -0.22 -0.94 0.00 0.00 0.00 175.10 174.23 3gfg s SER 160 N 0.85 2.71 -0.56 3.32 1.04 -0.14 -1.82 113.70 119.10 3gfg s SER 160 Ca -0.12 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 55.91 3gfg s SER 160 Cb -0.15 -0.76 0.17 0.00 0.10 0.00 0.00 66.02 65.39 3gfg s SER 160 CO 0.01 0.21 0.43 0.00 0.98 0.00 0.00 173.24 174.87 3gfg n TYR 161 N 3.03 1.20 -3.94 5.02 -0.00 0.97 -4.62 117.16 118.82 3gfg n TYR 161 Ca -0.18 -3.82 -0.21 0.00 -0.00 0.00 0.00 57.90 53.70 3gfg n TYR 161 Cb 0.52 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.34 39.65 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 -0.75 6.32 0.17 2.98 0.01 -1.26 -4.25 114.94 118.16 3gfg s ASN 162 Ca 0.29 0.09 -0.08 0.00 -0.71 0.00 0.00 52.86 52.45 3gfg s ASN 162 Cb 0.00 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 3gfg s ASN 162 CO -0.18 -0.08 0.27 0.00 -1.51 0.00 0.00 177.10 175.60 3gfg s ARG 163 N -3.98 1.19 -0.61 -0.60 1.70 -0.74 -4.96 118.95 110.96 3gfg s ARG 163 Ca 0.34 -1.25 -0.05 0.00 -0.47 0.00 0.00 55.73 54.31 3gfg s ARG 163 Cb -0.09 0.37 0.16 0.00 -0.57 0.00 0.00 34.95 34.81 3gfg s ARG 163 CO 0.29 -0.43 0.44 -0.47 -1.08 0.00 0.00 175.30 174.05 3gfg s TYR 164 N -4.00 3.48 -0.53 5.89 5.04 -1.25 -2.18 117.35 123.79 3gfg s TYR 164 Ca 0.20 -2.50 0.07 0.00 -2.44 0.00 0.00 57.07 52.40 3gfg s TYR 164 Cb 0.03 -3.31 0.32 0.00 0.35 0.00 0.00 41.96 39.35 3gfg s TYR 164 CO 0.02 -0.89 0.84 0.54 -1.34 0.00 0.00 175.55 174.72 3gfg n ARG 165 N 3.83 2.44 0.17 4.97 5.12 0.66 -4.97 116.66 128.88 3gfg n ARG 165 Ca 0.06 -4.39 0.14 0.00 -1.93 0.00 0.00 57.85 51.73 3gfg n ARG 165 Cb 0.40 -2.05 0.72 0.00 -1.16 0.00 0.00 32.46 30.37 3gfg n ARG 165 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3gfg h PRO 166 N 3.26 0.00 -6.22 5.56 0.13 -1.93 -3.42 132.00 129.38 3gfg h PRO 166 Ca 0.13 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.58 3gfg h PRO 166 Cb 0.66 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.61 3gfg h PRO 166 CO 0.73 0.00 -0.70 -2.00 -0.23 0.00 0.00 178.00 175.80 3gfg s GLU 167 N -4.92 2.65 -0.05 0.86 2.56 -1.26 -4.83 118.70 113.72 3gfg s GLU 167 Ca -0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 54.97 53.99 3gfg s GLU 167 Cb 0.17 -2.55 -0.02 0.00 2.00 0.00 0.00 34.13 33.73 3gfg s GLU 167 CO 0.65 0.63 0.97 0.08 -0.56 0.00 0.00 175.26 177.03 3gfg s VAL 168 N -0.92 4.85 -0.08 3.70 1.01 -1.26 -5.19 120.40 122.50 3gfg s VAL 168 Ca 0.15 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 3gfg s VAL 168 Cb -0.11 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3gfg s VAL 168 CO 0.05 0.10 0.04 0.06 0.00 0.00 0.00 175.10 175.35 3gfg h GLN 169 N 6.92 -0.03 0.00 2.72 -0.00 -1.99 -3.53 115.11 119.21 3gfg h GLN 169 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 3gfg h GLN 169 Cb 1.19 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 3gfg h GLN 169 CO 0.79 -0.02 0.00 0.00 -0.00 0.00 0.00 178.83 179.60 3gfg n ALA 179 N -2.66 0.00 -2.45 0.06 0.00 -1.26 -5.23 120.51 108.97 3gfg n ALA 179 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3gfg n ALA 179 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 1.76 0.00 0.00 -4.23 -1.26 -4.74 115.64 107.17 3gfg s THR 180 Ca 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3gfg s THR 180 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3gfg s THR 180 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3gfg n GLY 181 N -1.57 -2.78 0.19 3.99 0.00 -1.26 -4.44 105.19 99.31 3gfg n GLY 181 Ca -0.04 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 0.13 -0.05 2.61 1.35 -1.74 -1.04 112.91 114.17 3gfg h THR 182 Ca 0.00 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 3gfg h THR 182 Cb 0.00 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3gfg h THR 182 CO 0.00 0.07 -0.03 0.25 -0.25 0.00 0.00 175.52 175.56 3gfg h LEU 183 N 0.00 0.11 -0.15 3.87 5.85 -1.84 0.26 115.31 123.41 3gfg h LEU 183 Ca -0.00 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 3gfg h LEU 183 Cb 1.07 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3gfg h LEU 183 CO 0.01 0.54 -0.17 1.88 -0.34 0.00 0.00 178.44 180.37 3gfg h TYR 184 N -0.32 0.46 -0.05 1.25 -1.99 -1.77 -1.67 116.97 112.87 3gfg h TYR 184 Ca 0.01 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.57 3gfg h TYR 184 Cb 0.51 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 3gfg h TYR 184 CO 0.08 0.78 -0.06 0.22 -0.00 0.00 0.00 178.16 179.18 3gfg h ASP 185 N 0.01 0.14 0.00 3.88 3.58 -1.22 -3.33 116.42 119.48 3gfg h ASP 185 Ca 0.02 -0.50 -0.25 0.00 0.42 0.00 0.00 57.03 56.72 3gfg h ASP 185 Cb 0.71 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 3gfg h ASP 185 CO 0.04 0.62 -1.90 0.18 -2.88 0.00 0.00 179.24 175.30 3gfg n LEU 186 N -4.73 2.43 0.06 2.28 4.77 0.72 -4.58 117.00 117.95 3gfg n LEU 186 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.03 3gfg n LEU 186 Cb 0.30 -0.53 0.60 0.00 -2.33 0.00 0.00 43.42 41.47 3gfg n LEU 186 CO 0.36 0.64 1.15 1.23 -1.33 0.00 0.00 177.39 179.43 3gfg h GLY 187 N 0.65 0.20 1.04 -0.72 0.00 -0.58 -3.00 103.07 100.65 3gfg h GLY 187 Ca -0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3gfg h GLY 187 CO -0.12 0.04 0.55 1.48 0.00 0.00 0.00 176.54 178.49 3gfg h SER 188 N 0.15 1.13 -0.32 0.19 4.64 -1.42 0.66 113.55 118.58 3gfg h SER 188 Ca 0.17 -0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3gfg h SER 188 Cb 0.47 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.21 3gfg h SER 188 CO -0.02 0.87 -0.11 0.45 -0.87 0.00 0.00 176.83 177.15 3gfg h HIS 189 N 1.28 -0.25 0.00 4.77 -0.00 -1.79 -0.95 115.15 118.21 3gfg h HIS 189 Ca 0.33 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.65 3gfg h HIS 189 Cb -0.03 0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3gfg h HIS 189 CO 0.01 -0.18 -0.81 -0.84 -0.00 0.00 0.00 177.93 176.11 3gfg h ILE 190 N -0.04 0.39 0.13 2.45 3.07 -1.58 -2.45 117.51 119.48 3gfg h ILE 190 Ca 0.16 -1.64 -0.01 0.00 1.55 0.00 0.00 64.86 64.93 3gfg h ILE 190 Cb 0.28 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 3gfg h ILE 190 CO -0.36 0.22 -0.06 0.40 -1.05 0.00 0.00 178.15 177.30 3gfg h ILE 191 N 0.00 1.00 -0.63 0.16 2.04 -0.86 -2.42 117.51 116.79 3gfg h ILE 191 Ca -0.05 -0.53 0.12 0.00 1.00 0.00 0.00 64.86 65.40 3gfg h ILE 191 Cb 1.28 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 38.60 3gfg h ILE 191 CO 0.03 0.13 0.15 -0.78 0.00 0.00 0.00 178.15 177.68 3gfg h ASP 192 N -0.43 0.04 -0.26 1.72 3.58 -1.14 -1.24 116.42 118.69 3gfg h ASP 192 Ca -0.02 0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.60 3gfg h ASP 192 Cb 0.34 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 3gfg h ASP 192 CO 0.03 0.02 -0.08 1.56 -2.88 0.00 0.00 179.24 177.88 3gfg h GLN 193 N 0.28 -0.02 -0.98 0.28 4.20 -1.45 -0.30 115.11 117.12 3gfg h GLN 193 Ca 0.34 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.07 3gfg h GLN 193 Cb 0.51 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 3gfg h GLN 193 CO -0.41 -0.02 0.64 1.15 -0.67 0.00 0.00 178.83 179.52 3gfg h THR 194 N -0.03 1.21 -0.00 -0.54 2.02 -0.78 -1.03 112.91 113.76 3gfg h THR 194 Ca 0.13 -0.44 -0.22 0.00 0.77 0.00 0.00 66.41 66.65 3gfg h THR 194 Cb 0.22 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3gfg h THR 194 CO -0.29 0.23 -0.92 -0.07 0.37 0.00 0.00 175.52 174.85 3gfg h LEU 195 N 1.28 0.48 -1.07 2.58 3.38 -0.86 -0.45 115.31 120.65 3gfg h LEU 195 Ca 0.37 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3gfg h LEU 195 Cb -0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3gfg h LEU 195 CO -0.10 1.18 0.63 -0.74 0.09 0.00 0.00 178.44 179.49 3gfg h HIS 196 N 0.21 1.18 0.08 1.13 2.76 -0.58 -0.50 115.15 119.43 3gfg h HIS 196 Ca -0.07 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 57.86 3gfg h HIS 196 Cb 1.55 -0.40 0.01 0.00 1.55 0.00 0.00 27.41 30.12 3gfg h HIS 196 CO 0.05 0.71 -1.14 -0.07 -1.30 0.00 0.00 177.93 176.18 3gfg h LEU 197 N 1.24 0.61 0.00 0.26 3.38 -0.80 -3.42 115.31 116.59 3gfg h LEU 197 Ca 0.37 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3gfg h LEU 197 Cb -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3gfg h LEU 197 CO -0.10 1.39 -0.16 0.49 0.09 0.00 0.00 178.44 180.15 3gfg n PHE 198 N -3.69 0.00 -3.50 1.13 3.72 -0.21 -5.11 117.46 109.80 3gfg n PHE 198 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3gfg n PHE 198 Cb 0.94 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 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 1.00 -2.06 3.73 1.37 0.00 -0.20 -4.86 105.19 104.16 3gfg n GLY 199 Ca 0.00 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.01 4.63 0.89 1.61 -1.94 -1.26 -4.50 119.30 118.73 3gfg s MET 200 Ca 0.00 1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 55.38 3gfg s MET 200 Cb 0.00 -3.37 0.13 0.00 2.01 0.00 0.00 34.83 33.60 3gfg s MET 200 CO 0.00 0.10 1.13 -1.25 -0.01 0.00 0.00 175.02 174.98 3gfg s PRO 201 N 0.21 1.28 0.28 2.03 0.04 -1.26 -5.00 135.00 132.59 3gfg s PRO 201 Ca 0.49 0.38 0.20 0.00 0.04 0.00 0.00 61.00 62.12 3gfg s PRO 201 Cb -0.24 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.56 3gfg s PRO 201 CO 0.30 -2.12 1.29 1.57 0.04 0.00 0.00 177.00 178.09 3gfg h LYS 202 N -1.44 0.00 -2.50 4.56 2.10 -1.27 -3.44 116.57 114.57 3gfg h LYS 202 Ca -0.50 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.09 3gfg h LYS 202 Cb 1.32 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.48 3gfg h LYS 202 CO 0.61 0.15 0.12 0.00 -2.00 0.00 0.00 179.45 178.33 3gfg s ALA 203 N -3.16 -1.54 -0.04 0.07 0.00 -1.24 -1.08 121.76 114.77 3gfg s ALA 203 Ca 0.03 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.93 3gfg s ALA 203 Cb 0.07 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3gfg s ALA 203 CO 0.74 -0.49 -0.25 0.08 0.00 0.00 0.00 175.76 175.84 3gfg s VAL 204 N -2.12 2.10 -0.10 0.00 1.01 -0.14 -0.88 120.40 120.27 3gfg s VAL 204 Ca -0.07 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.86 3gfg s VAL 204 Cb -0.01 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3gfg s VAL 204 CO 0.01 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.64 3gfg s THR 205 N -0.45 1.50 0.03 3.92 2.01 -0.62 -1.26 115.64 120.78 3gfg s THR 205 Ca 0.05 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 3gfg s THR 205 Cb -0.11 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 3gfg s THR 205 CO 0.01 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 174.52 3gfg s ALA 206 N 0.86 -0.24 -0.15 7.40 0.00 -1.26 0.26 121.76 128.63 3gfg s ALA 206 Ca -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3gfg s ALA 206 Cb -0.15 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.25 3gfg s ALA 206 CO 0.00 -0.32 -0.03 1.21 0.00 0.00 0.00 175.76 176.62 3gfg s ASN 207 N -2.00 2.63 -0.12 0.00 2.47 -0.53 -3.33 114.94 114.07 3gfg s ASN 207 Ca -0.06 -0.58 0.01 0.00 0.42 0.00 0.00 52.86 52.64 3gfg s ASN 207 Cb -0.02 -0.80 0.02 0.00 -1.45 0.00 0.00 41.25 39.00 3gfg s ASN 207 CO -0.03 -0.20 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.33 3gfg s VAL 208 N 1.72 1.37 0.39 -5.21 1.01 -1.26 -1.39 120.40 117.02 3gfg s VAL 208 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3gfg s VAL 208 Cb -0.15 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 34.98 3gfg s VAL 208 CO -0.07 0.42 0.69 0.00 0.00 0.00 0.00 175.10 176.14 3gfg s MET 209 N 1.25 2.19 -0.21 2.72 0.23 -0.41 -4.96 119.30 120.11 3gfg s MET 209 Ca -0.02 -1.61 -0.00 0.00 -1.03 0.00 0.00 55.69 53.03 3gfg s MET 209 Cb -0.14 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 3gfg s MET 209 CO -0.05 -0.99 -0.13 0.00 -2.03 0.00 0.00 175.02 171.83 3gfg s ALA 210 N -2.39 2.54 -0.02 3.16 0.00 -1.26 -0.67 121.76 123.12 3gfg s ALA 210 Ca 0.21 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.89 3gfg s ALA 210 Cb -0.03 -1.45 -0.24 0.00 0.00 0.00 0.00 23.12 21.39 3gfg s ALA 210 CO 0.16 -0.58 0.77 1.96 0.00 0.00 0.00 175.76 178.06 3gfg h GLN 211 N 7.97 0.09 -6.95 0.00 4.20 -1.90 -3.48 115.11 115.04 3gfg h GLN 211 Ca -0.39 -0.16 -0.53 0.00 0.06 0.00 0.00 58.65 57.63 3gfg h GLN 211 Cb 1.12 0.06 0.09 0.00 0.30 0.00 0.00 27.48 29.05 3gfg h GLN 211 CO 0.60 0.81 0.64 1.03 -0.67 0.00 0.00 178.83 181.24 3gfg s ARG 212 N -2.61 3.93 0.27 1.46 0.52 -1.26 -4.90 118.95 116.35 3gfg s ARG 212 Ca -0.07 2.24 -0.04 0.00 -0.52 0.00 0.00 55.73 57.33 3gfg s ARG 212 Cb 0.08 -2.76 0.33 0.00 0.52 0.00 0.00 34.95 33.12 3gfg s ARG 212 CO 0.82 -0.55 1.95 1.49 0.02 0.00 0.00 175.30 179.03 3gfg h GLU 213 N 2.65 1.24 -0.12 3.54 4.81 -1.92 -2.03 114.58 122.75 3gfg h GLU 213 Ca -0.50 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 3gfg h GLU 213 Cb 1.25 -0.28 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 3gfg h GLU 213 CO 0.62 0.82 -0.54 0.09 -0.73 0.00 0.00 179.01 179.27 3gfg n ASN 214 N -4.39 2.22 -4.82 1.04 4.13 -1.26 -5.05 115.26 107.13 3gfg n ASN 214 Ca 0.11 -3.88 -0.33 0.00 1.68 0.00 0.00 54.58 52.15 3gfg n ASN 214 Cb 0.02 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 37.69 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 -3.30 3.01 -0.06 5.41 0.00 -0.77 -4.99 121.76 121.07 3gfg s ALA 215 Ca 0.40 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 3gfg s ALA 215 Cb 0.38 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3gfg s ALA 215 CO -0.05 0.04 -0.14 0.39 0.00 0.00 0.00 175.76 175.99 3gfg n GLU 216 N -0.73 0.21 -1.19 0.00 -0.58 -1.26 -4.99 120.64 112.10 3gfg n GLU 216 Ca 0.07 0.09 -0.31 0.00 -0.42 0.00 0.00 57.16 56.59 3gfg n GLU 216 Cb 0.54 -0.82 0.10 0.00 -0.57 0.00 0.00 31.44 30.69 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gfg s THR 217 N -1.90 3.17 0.16 2.62 -4.23 -1.26 -4.82 115.64 109.39 3gfg s THR 217 Ca -0.12 0.38 -0.32 0.00 -1.18 0.00 0.00 61.69 60.45 3gfg s THR 217 Cb 0.02 -2.81 -0.12 0.00 1.34 0.00 0.00 72.50 70.92 3gfg s THR 217 CO 0.17 -0.50 1.74 0.52 -0.54 0.00 0.00 174.62 176.02 3gfg n VAL 218 N -3.61 0.13 -0.71 2.29 0.31 -1.26 -4.56 118.33 110.91 3gfg n VAL 218 Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3gfg n VAL 218 Cb 0.53 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3gfg n VAL 218 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3gfg n ASP 219 N 4.46 0.38 -3.72 4.52 5.68 0.16 -1.87 116.55 126.17 3gfg n ASP 219 Ca 0.17 -1.10 -0.13 0.00 -0.50 0.00 0.00 54.79 53.24 3gfg n ASP 219 Cb 0.34 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.10 -0.34 0.02 2.11 5.04 -0.54 -1.92 117.35 121.61 3gfg s TYR 220 Ca 0.00 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.45 3gfg s TYR 220 Cb 0.00 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.33 3gfg s TYR 220 CO 0.00 -0.25 -0.04 -0.59 -1.34 0.00 0.00 175.55 173.34 3gfg s PHE 221 N 1.39 0.32 -0.24 4.97 -0.12 0.01 -1.28 117.98 123.03 3gfg s PHE 221 Ca -0.08 -0.36 -0.04 0.00 -0.05 0.00 0.00 56.93 56.40 3gfg s PHE 221 Cb -0.11 -0.21 0.09 0.00 -0.63 0.00 0.00 43.02 42.17 3gfg s PHE 221 CO -0.09 -0.11 0.16 -1.58 -0.05 0.00 0.00 175.22 173.56 3gfg s HIS 222 N -0.98 0.05 -0.13 3.49 2.46 -0.49 -1.34 115.29 118.36 3gfg s HIS 222 Ca -0.09 -0.40 -0.02 0.00 0.47 0.00 0.00 55.06 55.02 3gfg s HIS 222 Cb -0.07 -0.67 -0.03 0.00 -0.13 0.00 0.00 32.58 31.68 3gfg s HIS 222 CO -0.00 -0.70 -0.06 -0.51 -2.47 0.00 0.00 174.74 170.99 3gfg s LEU 223 N 2.19 3.15 -0.27 8.88 1.02 0.11 -1.45 118.68 132.32 3gfg s LEU 223 Ca 0.07 -0.12 -0.05 0.00 0.02 0.00 0.00 54.13 54.04 3gfg s LEU 223 Cb -0.16 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.33 3gfg s LEU 223 CO -0.23 0.23 0.03 -0.89 0.02 0.00 0.00 176.35 175.50 3gfg s THR 224 N 0.02 3.67 -0.35 5.49 2.01 0.14 0.10 115.64 126.73 3gfg s THR 224 Ca -0.01 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 3gfg s THR 224 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 3gfg s THR 224 CO 0.03 0.19 0.46 -0.76 -0.69 0.00 0.00 174.62 173.85 3gfg s LEU 225 N 1.47 4.37 -0.52 4.42 1.02 0.23 -1.58 118.68 128.09 3gfg s LEU 225 Ca 0.03 -0.08 -0.26 0.00 0.02 0.00 0.00 54.13 53.84 3gfg s LEU 225 Cb -0.16 -2.51 0.03 0.00 0.02 0.00 0.00 46.19 43.57 3gfg s LEU 225 CO 0.00 -0.43 1.00 -0.62 0.02 0.00 0.00 176.35 176.32 3gfg s ASP 226 N 1.75 6.43 -0.32 2.29 2.15 -0.06 -1.90 116.67 127.01 3gfg s ASP 226 Ca 0.16 -0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.17 3gfg s ASP 226 Cb -0.16 -2.47 0.47 0.00 -0.30 0.00 0.00 42.92 40.46 3gfg s ASP 226 CO 0.13 -1.22 1.39 -1.22 -0.17 0.00 0.00 175.17 174.08 3gfg n TYR 227 N 7.57 1.66 0.00 -5.34 4.01 -0.46 -0.64 117.16 123.96 3gfg n TYR 227 Ca 0.05 -1.94 0.00 0.00 -0.16 0.00 0.00 57.90 55.85 3gfg n TYR 227 Cb 0.48 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.97 1.85 0.36 2.72 0.00 -1.26 -3.36 105.19 104.54 3gfg n GLY 228 Ca 0.37 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 1.07 -6.27 1.61 3.64 -1.98 -3.41 116.57 111.23 3gfg h LYS 229 Ca 0.00 -0.06 -0.55 0.00 -1.27 0.00 0.00 60.65 58.77 3gfg h LYS 229 Cb 0.00 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 3gfg h LYS 229 CO 0.00 0.71 0.22 -1.17 -2.27 0.00 0.00 179.45 176.94 3gfg s LEU 230 N -9.97 4.39 -0.11 5.20 2.96 -1.21 -4.87 118.68 115.07 3gfg s LEU 230 Ca -0.12 1.46 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 3gfg s LEU 230 Cb 0.19 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.56 3gfg s LEU 230 CO 0.80 -0.11 -0.24 -1.10 -1.32 0.00 0.00 176.35 174.38 3gfg s GLN 231 N 0.52 3.03 -0.18 1.98 -1.52 -0.22 -1.36 119.66 121.91 3gfg s GLN 231 Ca 0.43 -0.87 -0.01 0.00 -1.95 0.00 0.00 55.36 52.96 3gfg s GLN 231 Cb -0.20 -2.31 0.01 0.00 -0.22 0.00 0.00 33.01 30.28 3gfg s GLN 231 CO 0.24 0.15 -0.14 0.00 -0.25 0.00 0.00 175.29 175.28 3gfg s ALA 232 N 0.41 2.51 -0.20 6.09 0.00 -0.80 -1.16 121.76 128.62 3gfg s ALA 232 Ca -0.17 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 3gfg s ALA 232 Cb -0.18 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 3gfg s ALA 232 CO 0.07 -0.29 -0.09 0.42 0.00 0.00 0.00 175.76 175.87 3gfg s ILE 233 N 1.22 3.01 -0.14 0.00 -1.09 0.10 0.75 121.20 125.05 3gfg s ILE 233 Ca 0.02 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3gfg s ILE 233 Cb -0.14 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.42 3gfg s ILE 233 CO -0.07 0.47 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.18 3gfg s LEU 234 N 1.26 1.84 0.13 2.97 1.43 0.12 -1.10 118.68 125.32 3gfg s LEU 234 Ca 0.03 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 3gfg s LEU 234 Cb -0.14 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 44.88 3gfg s LEU 234 CO -0.04 0.00 0.45 -0.72 0.23 0.00 0.00 176.35 176.27 3gfg s TYR 235 N 1.14 -0.29 -0.30 0.29 -0.85 -0.76 0.05 117.35 116.65 3gfg s TYR 235 Ca -0.02 0.01 -0.17 0.00 -0.52 0.00 0.00 57.07 56.37 3gfg s TYR 235 Cb -0.14 0.32 0.19 0.00 0.38 0.00 0.00 41.96 42.71 3gfg s TYR 235 CO -0.06 -0.73 1.19 0.20 -1.52 0.00 0.00 175.55 174.63 3gfg s GLY 236 N -2.74 0.29 0.52 5.49 0.00 -0.45 -0.02 107.32 110.41 3gfg s GLY 236 Ca 0.02 3.56 0.06 0.00 0.00 0.00 0.00 44.72 48.36 3gfg s GLY 236 CO -0.12 3.04 0.37 -0.32 0.00 0.00 0.00 173.10 176.07 3gfg s GLY 237 N 1.66 2.35 0.00 0.20 0.00 -1.26 -0.81 107.32 109.46 3gfg s GLY 237 Ca -0.04 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.30 3gfg s GLY 237 CO -0.14 -1.91 0.78 1.44 0.00 0.00 0.00 173.10 173.27 3gfg n SER 238 N -1.68 1.65 -2.98 1.64 7.64 -0.81 -1.79 113.62 117.29 3gfg n SER 238 Ca -0.01 -1.47 -0.27 0.00 1.01 0.00 0.00 58.87 58.13 3gfg n SER 238 Cb 0.64 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.03 2.92 -3.78 0.44 5.41 -1.21 -0.25 119.36 122.92 3gfg n ILE 239 Ca 0.02 -5.53 -0.30 0.00 1.00 0.00 0.00 62.75 57.95 3gfg n ILE 239 Cb 0.17 -1.41 -0.14 0.00 -0.71 0.00 0.00 39.64 37.55 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 -4.26 1.60 0.31 1.39 1.01 -0.93 -4.99 120.40 114.54 3gfg s VAL 240 Ca 0.48 -2.49 0.03 0.00 0.00 0.00 0.00 61.98 60.00 3gfg s VAL 240 Cb 0.27 -2.14 0.29 0.00 0.00 0.00 0.00 36.38 34.80 3gfg s VAL 240 CO -0.13 -0.82 1.90 -0.65 0.00 0.00 0.00 175.10 175.40 3gfg h PRO 241 N 6.98 0.92 -3.64 2.72 0.11 -1.95 -3.34 132.00 133.80 3gfg h PRO 241 Ca -0.04 -0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.68 3gfg h PRO 241 Cb 0.94 -0.21 -0.34 0.00 0.11 0.00 0.00 31.00 31.50 3gfg h PRO 241 CO 0.52 0.61 -0.74 0.00 -0.21 0.00 0.00 178.00 178.17 3gfg s ALA 242 N -5.85 0.24 0.37 -0.75 0.00 -1.26 -4.95 121.76 109.56 3gfg s ALA 242 Ca -0.11 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 3gfg s ALA 242 Cb 0.20 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 3gfg s ALA 242 CO 0.80 -0.10 0.85 -0.80 0.00 0.00 0.00 175.76 176.50 3gfg s ASN 243 N 1.09 6.88 0.02 0.00 0.01 -1.26 -5.07 114.94 116.60 3gfg s ASN 243 Ca -0.09 1.50 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 3gfg s ASN 243 Cb -0.13 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3gfg s ASN 243 CO -0.02 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 3gfg n GLY 244 N -0.44 -0.08 3.66 0.66 0.00 -1.26 -4.98 105.19 102.75 3gfg n GLY 244 Ca 0.05 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gfg n PRO 245 N -0.03 1.69 -0.01 1.61 -0.02 -1.26 -4.78 135.00 132.21 3gfg n PRO 245 Ca 0.00 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 3gfg n PRO 245 Cb 0.00 -2.23 0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gfg h ARG 246 N 1.88 0.60 -5.07 -0.52 2.43 -0.83 -3.39 114.38 109.48 3gfg h ARG 246 Ca -0.46 -0.38 -0.53 0.00 -0.81 0.00 0.00 59.98 57.80 3gfg h ARG 246 Cb 1.31 0.05 -0.31 0.00 -0.42 0.00 0.00 29.97 30.59 3gfg h ARG 246 CO 0.59 0.99 -0.83 0.71 -1.51 0.00 0.00 179.97 179.93 3gfg s TYR 247 N -4.00 1.54 -0.12 2.20 2.02 -0.73 -0.97 117.35 117.28 3gfg s TYR 247 Ca -0.08 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3gfg s TYR 247 Cb 0.11 -1.05 0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3gfg s TYR 247 CO 0.85 -0.17 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.96 3gfg s GLN 248 N 0.14 1.32 -0.11 -0.62 -0.21 -0.15 -1.94 119.66 118.11 3gfg s GLN 248 Ca -0.05 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.08 3gfg s GLN 248 Cb -0.11 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.31 3gfg s GLN 248 CO 0.02 -0.33 -0.12 0.42 -2.12 0.00 0.00 175.29 173.17 3gfg s ILE 249 N 1.74 1.27 -0.10 1.08 1.01 -0.25 -1.30 121.20 124.65 3gfg s ILE 249 Ca 0.04 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3gfg s ILE 249 Cb -0.13 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3gfg s ILE 249 CO -0.08 0.40 -0.21 -1.00 0.00 0.00 0.00 174.94 174.05 3gfg s HIS 250 N 1.23 2.35 0.18 3.97 3.76 -0.16 -0.79 115.29 125.84 3gfg s HIS 250 Ca -0.03 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 3gfg s HIS 250 Cb -0.14 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.96 3gfg s HIS 250 CO -0.04 -0.42 0.02 0.41 -0.85 0.00 0.00 174.74 173.86 3gfg n GLY 251 N 3.66 3.82 0.20 -2.22 0.00 0.42 0.58 105.19 111.66 3gfg n GLY 251 Ca -0.20 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.36 -3.32 116.57 115.60 3gfg h LYS 252 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 3gfg h LYS 252 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3gfg h LYS 252 CO 0.24 0.32 -0.67 -0.25 -2.00 0.00 0.00 179.45 177.10 3gfg n ASP 253 N -3.84 3.34 -3.72 7.07 10.43 -1.26 -5.04 116.55 123.53 3gfg n ASP 253 Ca -0.01 -0.14 -0.10 0.00 2.57 0.00 0.00 54.79 57.11 3gfg n ASP 253 Cb 0.40 0.95 -0.04 0.00 1.84 0.00 0.00 41.12 44.27 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 -1.62 -0.23 0.04 -2.24 1.04 -1.25 -0.90 113.70 108.54 3gfg s SER 254 Ca 0.00 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3gfg s SER 254 Cb 0.00 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 3gfg s SER 254 CO 0.00 -0.97 -0.09 -0.44 0.98 0.00 0.00 173.24 172.72 3gfg s SER 255 N -2.86 1.02 -0.12 7.02 0.01 -0.33 -0.43 113.70 118.00 3gfg s SER 255 Ca 0.08 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3gfg s SER 255 Cb 0.00 -0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.25 3gfg s SER 255 CO -0.06 -0.13 -0.13 0.12 0.41 0.00 0.00 173.24 173.46 3gfg s PHE 256 N -1.16 1.85 -0.10 2.43 5.36 0.03 -1.22 117.98 125.17 3gfg s PHE 256 Ca -0.06 -0.93 0.02 0.00 -0.96 0.00 0.00 56.93 55.00 3gfg s PHE 256 Cb -0.09 -1.39 0.01 0.00 -0.34 0.00 0.00 43.02 41.21 3gfg s PHE 256 CO 0.01 -0.53 -0.17 0.42 -1.46 0.00 0.00 175.22 173.49 3gfg s ILE 257 N 1.30 1.57 -0.07 3.12 1.01 -0.64 -1.09 121.20 126.40 3gfg s ILE 257 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3gfg s ILE 257 Cb -0.14 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 40.95 3gfg s ILE 257 CO -0.06 0.45 0.15 -0.75 0.00 0.00 0.00 174.94 174.74 3gfg s LYS 258 N 0.82 0.12 0.40 2.79 2.20 -0.82 -0.70 119.74 124.55 3gfg s LYS 258 Ca -0.10 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 3gfg s LYS 258 Cb -0.16 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.05 3gfg s LYS 258 CO 0.01 -0.13 0.59 0.71 -0.36 0.00 0.00 175.35 176.17 3gfg s TYR 259 N 0.89 3.20 0.00 4.03 2.02 -1.26 -0.18 117.35 126.05 3gfg s TYR 259 Ca -0.07 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3gfg s TYR 259 Cb -0.09 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 3gfg s TYR 259 CO -0.05 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.14 3gfg n GLY 260 N -1.90 -2.66 3.08 0.71 0.00 -1.26 -4.78 105.19 98.38 3gfg n GLY 260 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.44 0.09 0.39 -0.61 2.07 -1.26 -4.69 121.20 116.75 3gfg s ILE 261 Ca 0.00 -0.76 -0.27 0.00 -1.41 0.00 0.00 60.65 58.21 3gfg s ILE 261 Cb 0.00 -0.42 -0.11 0.00 0.13 0.00 0.00 42.46 42.06 3gfg s ILE 261 CO 0.00 -0.42 1.35 -0.67 -1.91 0.00 0.00 174.94 173.29 3gfg n ASP 262 N 1.43 3.03 -1.42 4.50 2.03 -1.26 -4.94 116.55 119.93 3gfg n ASP 262 Ca -0.23 1.18 0.09 0.00 0.52 0.00 0.00 54.79 56.35 3gfg n ASP 262 Cb 0.56 -1.54 0.33 0.00 -0.72 0.00 0.00 41.12 39.75 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 0.68 2.80 0.17 0.27 0.00 -1.26 -4.56 105.19 103.28 3gfg n GLY 263 Ca 0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 3.79 0.51 -0.57 1.61 4.20 -1.93 -1.52 115.11 121.20 3gfg h GLN 264 Ca 0.00 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.57 3gfg h GLN 264 Cb 1.31 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 3gfg h GLN 264 CO 0.17 0.72 0.29 0.93 -0.67 0.00 0.00 178.83 180.27 3gfg h GLU 265 N 0.26 0.54 -0.54 1.46 5.08 -1.99 0.20 114.58 119.58 3gfg h GLU 265 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gfg h GLU 265 Cb 0.53 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3gfg h GLU 265 CO 0.03 0.35 0.35 -0.44 -1.00 0.00 0.00 179.01 178.30 3gfg h ASP 266 N 0.55 0.63 -0.66 1.42 3.32 -1.83 0.24 116.42 120.09 3gfg h ASP 266 Ca 0.26 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3gfg h ASP 266 Cb 0.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3gfg h ASP 266 CO -0.18 0.47 0.21 0.00 -1.72 0.00 0.00 179.24 178.02 3gfg h ALA 267 N 1.18 0.87 -0.86 3.45 0.00 -0.66 -1.11 119.26 122.13 3gfg h ALA 267 Ca 0.20 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3gfg h ALA 267 Cb -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3gfg h ALA 267 CO -0.04 0.54 0.54 -0.07 0.00 0.00 0.00 179.25 180.22 3gfg h LEU 268 N 0.96 0.88 -1.54 0.00 3.38 -0.22 -1.09 115.31 117.68 3gfg h LEU 268 Ca 0.21 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3gfg h LEU 268 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gfg h LEU 268 CO -0.01 0.59 -0.23 0.03 0.09 0.00 0.00 178.44 178.91 3gfg h ARG 269 N 1.03 0.00 -0.00 1.13 3.08 -0.21 -2.69 114.38 116.72 3gfg h ARG 269 Ca 0.36 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3gfg h ARG 269 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gfg h ARG 269 CO -0.14 0.23 -0.01 0.00 -1.07 0.00 0.00 179.97 178.98 3gfg n ALA 270 N -2.50 2.66 -0.24 0.04 0.00 -0.45 -4.88 120.51 115.14 3gfg n ALA 270 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3gfg n ALA 270 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.74 3.85 0.00 0.00 -1.01 -5.08 105.19 104.78 3gfg n GLY 271 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.76 3.98 0.19 1.61 0.52 -0.47 -5.01 118.95 119.01 3gfg s ARG 272 Ca 0.00 0.51 0.10 0.00 -0.52 0.00 0.00 55.73 55.82 3gfg s ARG 272 Cb 0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3gfg s ARG 272 CO 0.00 0.39 -0.16 0.15 0.02 0.00 0.00 175.30 175.69 3gfg s LYS 273 N -2.31 1.81 -0.38 3.54 1.02 -1.26 -3.98 119.74 118.18 3gfg s LYS 273 Ca 0.43 -1.39 -0.27 0.00 0.02 0.00 0.00 55.97 54.76 3gfg s LYS 273 Cb -0.14 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 3gfg s LYS 273 CO 0.20 0.42 2.17 -2.14 -0.92 0.00 0.00 175.35 175.08 3gfg s PRO 274 N -2.76 2.75 0.00 -1.68 0.02 -1.26 -4.77 135.00 127.30 3gfg s PRO 274 Ca 0.23 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3gfg s PRO 274 Cb -0.08 -4.42 0.00 0.00 0.02 0.00 0.00 34.50 30.02 3gfg s PRO 274 CO 0.13 -2.54 0.00 0.39 -0.33 0.00 0.00 177.00 174.64 3gfg n GLU 275 N 8.84 3.26 -3.90 5.54 1.02 -1.26 -4.98 120.64 129.15 3gfg n GLU 275 Ca 0.30 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.30 3gfg n GLU 275 Cb 0.50 -0.61 -0.03 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.87 -1.31 0.09 1.62 3.85 -1.26 -5.04 116.55 113.63 3gfg n ASP 276 Ca 0.00 -2.84 0.14 0.00 -0.71 0.00 0.00 54.79 51.38 3gfg n ASP 276 Cb 0.00 2.45 0.65 0.00 -1.35 0.00 0.00 41.12 42.87 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 1.91 0.05 0.64 -1.12 3.32 -2.03 -2.86 116.42 116.33 3gfg h ASP 277 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3gfg h ASP 277 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gfg h ASP 277 CO 0.36 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.37 3gfg n SER 278 N -4.45 0.00 -4.67 6.45 3.41 -1.26 -4.83 113.62 108.27 3gfg n SER 278 Ca 0.05 0.37 -0.45 0.00 -0.26 0.00 0.00 58.87 58.57 3gfg n SER 278 Cb 0.37 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3gfg n SER 278 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3gfg n TRP 279 N -1.45 2.20 -1.24 7.33 -0.00 -1.08 -2.04 117.44 121.16 3gfg n TRP 279 Ca 0.06 0.38 -0.08 0.00 -0.00 0.00 0.00 57.50 57.86 3gfg n TRP 279 Cb 0.23 -2.49 -0.04 0.00 -0.00 0.00 0.00 31.31 29.01 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 2.62 1.02 3.76 5.87 0.00 -1.26 -4.31 105.19 112.88 3gfg n GLY 280 Ca 0.14 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3gfg n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg s ALA 281 N -2.30 3.02 0.63 4.61 0.00 -0.87 -0.40 121.76 126.46 3gfg s ALA 281 Ca 0.00 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 3gfg s ALA 281 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3gfg s ALA 281 CO 0.00 -1.28 0.94 0.34 0.00 0.00 0.00 175.76 175.76 3gfg s ASP 282 N -0.74 5.37 -0.17 0.00 -1.08 -1.26 -4.76 116.67 114.03 3gfg s ASP 282 Ca 0.66 0.66 -0.17 0.00 -0.52 0.00 0.00 52.55 53.18 3gfg s ASP 282 Cb -0.42 -1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.46 3gfg s ASP 282 CO 0.52 -1.23 0.45 -0.69 0.52 0.00 0.00 175.17 174.74 3gfg s VAL 283 N -3.08 5.18 0.45 1.11 1.01 -1.26 -4.99 120.40 118.82 3gfg s VAL 283 Ca 0.56 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.55 3gfg s VAL 283 Cb -0.11 -3.78 0.36 0.00 0.00 0.00 0.00 36.38 32.85 3gfg s VAL 283 CO 0.45 0.27 1.95 -0.65 0.00 0.00 0.00 175.10 177.13 3gfg h PRO 284 N 7.11 0.32 0.00 2.72 0.11 -1.99 0.28 132.00 140.55 3gfg h PRO 284 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3gfg h PRO 284 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gfg h PRO 284 CO 0.74 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.89 3gfg n GLU 285 N -4.46 0.01 -0.14 1.05 0.00 -1.26 -1.30 120.64 114.55 3gfg n GLU 285 Ca 0.12 0.37 0.04 0.00 0.00 0.00 0.00 57.16 57.70 3gfg n GLU 285 Cb 0.50 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.55 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 -1.46 0.35 -1.80 -1.84 3.72 0.98 -4.98 117.46 112.42 3gfg n PHE 286 Ca 0.02 -0.53 -0.40 0.00 -0.05 0.00 0.00 57.45 56.48 3gfg n PHE 286 Cb 0.06 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.14 2.52 0.65 1.38 2.02 -0.42 -4.37 117.35 117.99 3gfg s TYR 287 Ca 0.18 1.21 -0.14 0.00 -0.37 0.00 0.00 57.07 57.95 3gfg s TYR 287 Cb 0.10 -3.98 -0.01 0.00 -0.40 0.00 0.00 41.96 37.68 3gfg s TYR 287 CO 0.11 -2.98 1.08 0.20 -1.57 0.00 0.00 175.55 172.39 3gfg s GLY 288 N -0.32 2.02 -0.16 0.71 0.00 -1.22 -4.75 107.32 103.61 3gfg s GLY 288 Ca 0.57 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3gfg s GLY 288 CO 0.60 0.73 -0.08 0.54 0.00 0.00 0.00 173.10 174.88 3gfg s LYS 289 N -4.31 3.47 -0.23 2.90 1.02 0.12 -0.78 119.74 121.93 3gfg s LYS 289 Ca 0.64 -0.62 -0.07 0.00 0.02 0.00 0.00 55.97 55.94 3gfg s LYS 289 Cb -0.18 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3gfg s LYS 289 CO 0.43 0.13 0.05 -1.17 -0.92 0.00 0.00 175.35 173.87 3gfg s LEU 290 N 0.61 3.45 -0.18 3.17 2.96 0.21 -1.63 118.68 127.27 3gfg s LEU 290 Ca -0.05 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3gfg s LEU 290 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3gfg s LEU 290 CO 0.03 0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.16 3gfg s THR 291 N 1.26 3.81 -0.08 3.68 2.01 -0.36 -0.34 115.64 125.62 3gfg s THR 291 Ca 0.04 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3gfg s THR 291 Cb -0.15 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.67 3gfg s THR 291 CO 0.03 0.46 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.32 3gfg s THR 292 N 0.77 1.79 -0.19 -0.82 2.01 0.69 -1.19 115.64 118.70 3gfg s THR 292 Ca -0.01 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 3gfg s THR 292 Cb -0.14 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 3gfg s THR 292 CO 0.02 0.50 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.71 3gfg s ILE 293 N 0.34 2.89 -0.27 1.82 1.01 -0.08 -0.67 121.20 126.23 3gfg s ILE 293 Ca -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3gfg s ILE 293 Cb -0.17 -2.27 0.07 0.00 0.01 0.00 0.00 42.46 40.10 3gfg s ILE 293 CO 0.07 0.48 -0.08 -0.13 0.00 0.00 0.00 174.94 175.27 3gfg s ARG 294 N 1.21 2.13 5.61 2.79 3.00 -0.04 -4.82 118.95 128.83 3gfg s ARG 294 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 55.73 54.32 3gfg s ARG 294 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 31.87 3gfg s ARG 294 CO -0.04 -0.63 0.00 0.41 0.00 0.00 0.00 175.30 175.04 3gfg n GLY 295 N 4.40 1.50 0.10 -3.53 0.00 -1.26 -1.52 105.19 104.88 3gfg n GLY 295 Ca -0.11 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 3gfg n GLY 295 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gfg h SER 296 N 0.00 0.33 -3.31 1.61 0.02 -2.02 -3.47 113.55 106.71 3gfg h SER 296 Ca 0.00 -0.38 -0.58 0.00 -0.84 0.00 0.00 61.79 59.99 3gfg h SER 296 Cb 0.00 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 3gfg h SER 296 CO 0.00 1.31 0.39 -1.81 -1.14 0.00 0.00 176.83 175.57 3gfg s ASP 297 N -6.99 6.93 -0.33 3.07 1.11 -0.58 -5.04 116.67 114.84 3gfg s ASP 297 Ca -0.04 1.14 -0.09 0.00 0.18 0.00 0.00 52.55 53.74 3gfg s ASP 297 Cb 0.08 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.63 3gfg s ASP 297 CO 0.86 -0.41 0.14 -0.75 1.18 0.00 0.00 175.17 176.20 3gfg s LYS 298 N 2.23 2.99 -0.03 8.23 2.20 -1.26 -0.86 119.74 133.24 3gfg s LYS 298 Ca 0.37 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 55.10 3gfg s LYS 298 Cb -0.16 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3gfg s LYS 298 CO 0.12 -0.56 -0.23 0.21 -0.36 0.00 0.00 175.35 174.53 3gfg s LYS 299 N 1.53 2.23 0.01 4.03 2.20 0.15 -4.98 119.74 124.91 3gfg s LYS 299 Ca 0.02 -0.86 0.06 0.00 -0.36 0.00 0.00 55.97 54.83 3gfg s LYS 299 Cb -0.18 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 3gfg s LYS 299 CO 0.05 0.57 -0.17 0.99 -0.36 0.00 0.00 175.35 176.43 3gfg s THR 300 N -0.63 2.86 -0.07 3.43 2.01 -1.26 -0.22 115.64 121.76 3gfg s THR 300 Ca 0.10 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 3gfg s THR 300 Cb -0.10 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.27 3gfg s THR 300 CO -0.00 0.43 0.18 -0.70 -0.69 0.00 0.00 174.62 173.84 3gfg s GLU 301 N -1.18 0.17 -0.10 4.92 2.12 0.54 -4.97 118.70 120.21 3gfg s GLU 301 Ca 0.14 0.33 -0.27 0.00 0.36 0.00 0.00 54.97 55.54 3gfg s GLU 301 Cb -0.11 -0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 3gfg s GLU 301 CO 0.04 -0.09 0.86 0.99 -0.54 0.00 0.00 175.26 176.52 3gfg s THR 302 N 0.61 4.90 -0.37 -1.70 2.01 -1.26 -0.62 115.64 119.22 3gfg s THR 302 Ca -0.04 1.75 -0.11 0.00 0.31 0.00 0.00 61.69 63.59 3gfg s THR 302 Cb -0.06 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.29 3gfg s THR 302 CO -0.03 0.10 0.20 -0.63 -0.69 0.00 0.00 174.62 173.57 3gfg s ILE 303 N 1.59 4.59 0.15 1.82 -1.09 0.04 -4.98 121.20 123.31 3gfg s ILE 303 Ca 0.43 -0.81 -0.33 0.00 -2.23 0.00 0.00 60.65 57.71 3gfg s ILE 303 Cb -0.18 -3.54 -0.12 0.00 -1.58 0.00 0.00 42.46 37.04 3gfg s ILE 303 CO 0.18 -0.20 1.71 -2.65 -1.23 0.00 0.00 174.94 172.74 3gfg n PRO 304 N 5.00 2.49 -2.38 2.79 -0.02 -1.26 -3.40 135.00 138.22 3gfg n PRO 304 Ca -0.12 0.90 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 3gfg n PRO 304 Cb 0.46 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 3gfg n PRO 304 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gfg s SER 305 N 1.65 7.12 0.22 2.55 0.01 -1.26 -4.98 113.70 119.01 3gfg s SER 305 Ca 0.79 2.32 -0.31 0.00 1.31 0.00 0.00 55.95 60.06 3gfg s SER 305 Cb -0.58 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 62.88 3gfg s SER 305 CO 0.37 -0.30 1.27 0.52 0.41 0.00 0.00 173.24 175.51 3gfg n VAL 306 N 1.68 1.08 -1.71 3.43 0.31 -1.26 -4.68 118.33 117.18 3gfg n VAL 306 Ca 0.01 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 3gfg n VAL 306 Cb 0.44 -1.20 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 3gfg n VAL 306 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3gfg n ASN 307 N 1.95 3.38 -4.63 4.52 4.13 -1.26 -4.42 115.26 118.93 3gfg n ASN 307 Ca 0.12 1.14 -0.38 0.00 1.68 0.00 0.00 54.58 57.14 3gfg n ASN 307 Cb 0.29 -1.52 0.04 0.00 -1.54 0.00 0.00 39.78 37.05 3gfg n ASN 307 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gfg n GLY 308 N 2.20 -0.19 2.50 7.41 0.00 0.47 -4.68 105.19 112.89 3gfg n GLY 308 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gfg n GLY 308 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfg n SER 309 N -0.56 -0.63 -0.32 1.61 2.88 -0.41 -4.28 113.62 111.91 3gfg n SER 309 Ca 0.12 -3.20 0.12 0.00 -1.33 0.00 0.00 58.87 54.58 3gfg n SER 309 Cb 0.46 0.56 0.34 0.00 -0.75 0.00 0.00 64.21 64.81 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 2.90 0.95 -0.98 0.66 0.05 -1.90 -1.59 116.97 117.07 3gfg h TYR 310 Ca -0.04 0.03 0.32 0.00 0.05 0.00 0.00 58.73 59.10 3gfg h TYR 310 Cb 1.07 -0.30 -0.15 0.00 1.01 0.00 0.00 36.73 38.36 3gfg h TYR 310 CO 0.38 0.31 0.49 -0.07 -1.05 0.00 0.00 178.16 178.21 3gfg h LEU 311 N 0.76 0.35 -1.64 3.88 3.38 -1.95 -1.46 115.31 118.63 3gfg h LEU 311 Ca 0.51 0.21 0.28 0.00 0.09 0.00 0.00 57.88 58.96 3gfg h LEU 311 Cb 0.77 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3gfg h LEU 311 CO -0.27 -0.20 0.71 0.74 0.09 0.00 0.00 178.44 179.50 3gfg h THR 312 N 0.24 0.51 0.46 0.22 2.02 -1.71 0.01 112.91 114.65 3gfg h THR 312 Ca 0.72 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.80 3gfg h THR 312 Cb 1.66 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3gfg h THR 312 CO -0.66 0.04 -0.22 0.22 0.37 0.00 0.00 175.52 175.28 3gfg h TYR 313 N 0.23 -0.57 -0.36 3.16 3.20 -1.45 -1.47 116.97 119.71 3gfg h TYR 313 Ca 0.55 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.30 3gfg h TYR 313 Cb 1.70 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 40.15 3gfg h TYR 313 CO -0.00 -0.33 -0.21 1.88 -1.64 0.00 0.00 178.16 177.86 3gfg h TYR 314 N -0.65 0.77 -0.58 -3.82 0.05 -1.21 -0.18 116.97 111.35 3gfg h TYR 314 Ca -0.06 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.64 3gfg h TYR 314 Cb 0.49 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 3gfg h TYR 314 CO -0.04 0.84 0.20 0.00 -1.05 0.00 0.00 178.16 178.12 3gfg h ARG 315 N 0.61 0.37 -0.08 4.88 3.08 -1.07 -0.89 114.38 121.27 3gfg h ARG 315 Ca 0.09 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3gfg h ARG 315 Cb 0.69 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3gfg h ARG 315 CO 0.05 0.24 -0.54 0.87 -1.07 0.00 0.00 179.97 179.53 3gfg h LYS 316 N 0.38 0.23 -0.42 0.04 1.57 -0.62 -2.54 116.57 115.20 3gfg h LYS 316 Ca 0.29 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3gfg h LYS 316 Cb 0.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3gfg h LYS 316 CO -0.31 0.71 0.17 0.82 -0.57 0.00 0.00 179.45 180.28 3gfg h ILE 317 N 0.18 1.20 -0.87 1.86 1.08 -0.45 -0.67 117.51 119.84 3gfg h ILE 317 Ca 0.00 -0.60 0.13 0.00 -0.39 0.00 0.00 64.86 64.00 3gfg h ILE 317 Cb 1.00 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 35.47 3gfg h ILE 317 CO 0.08 0.22 0.49 0.00 -0.69 0.00 0.00 178.15 178.25 3gfg h ALA 318 N 1.02 1.30 0.00 1.87 0.00 -0.82 -0.40 119.26 122.22 3gfg h ALA 318 Ca 0.14 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3gfg h ALA 318 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gfg h ALA 318 CO -0.01 0.02 -0.74 0.93 0.00 0.00 0.00 179.25 179.45 3gfg h GLU 319 N 0.74 0.00 -0.25 0.00 5.08 -1.06 -0.89 114.58 118.20 3gfg h GLU 319 Ca 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 3gfg h GLU 319 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3gfg h GLU 319 CO -0.31 0.74 0.07 0.77 -1.00 0.00 0.00 179.01 179.28 3gfg h SER 320 N 0.00 0.37 -0.38 1.42 0.02 -0.15 -0.35 113.55 114.48 3gfg h SER 320 Ca -0.01 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 3gfg h SER 320 Cb 1.43 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 3gfg h SER 320 CO 0.10 0.49 -0.02 0.40 -1.14 0.00 0.00 176.83 176.66 3gfg h ILE 321 N 0.23 1.26 0.07 3.27 2.04 -0.93 -2.19 117.51 121.26 3gfg h ILE 321 Ca 0.08 -1.03 -0.30 0.00 1.00 0.00 0.00 64.86 64.60 3gfg h ILE 321 Cb 0.26 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3gfg h ILE 321 CO -0.00 0.34 -1.63 0.03 0.00 0.00 0.00 178.15 176.89 3gfg h ARG 322 N 0.50 0.14 0.00 2.37 2.47 -1.23 -3.42 114.38 115.21 3gfg h ARG 322 Ca 0.10 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3gfg h ARG 322 Cb 0.49 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3gfg h ARG 322 CO 0.02 0.90 -0.02 0.39 0.56 0.00 0.00 179.97 181.83 3gfg n GLU 323 N -3.31 1.04 -1.81 0.04 -0.58 -0.17 -5.03 120.64 110.83 3gfg n GLU 323 Ca -0.18 -0.91 -0.09 0.00 -0.42 0.00 0.00 57.16 55.57 3gfg n GLU 323 Cb 1.04 -0.69 -0.02 0.00 -0.57 0.00 0.00 31.44 31.20 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 -0.20 0.42 3.79 0.62 0.00 -0.82 -4.96 105.19 104.04 3gfg n GLY 324 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3gfg n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg s ALA 325 N -2.38 2.58 0.28 4.61 0.00 -1.11 -4.95 121.76 120.79 3gfg s ALA 325 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3gfg s ALA 325 Cb 0.00 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 3gfg s ALA 325 CO 0.00 -1.20 1.48 0.00 0.00 0.00 0.00 175.76 176.04 3gfg n ALA 326 N -2.71 1.81 -1.73 0.00 0.00 -1.26 -4.31 120.51 112.32 3gfg n ALA 326 Ca 0.09 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 3gfg n ALA 326 Cb 0.53 -2.36 0.03 0.00 0.00 0.00 0.00 19.45 17.65 3gfg n ALA 326 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gfg n LEU 327 N 1.92 4.99 -0.02 0.00 4.77 -1.26 -4.77 117.00 122.63 3gfg n LEU 327 Ca 0.09 1.02 -0.01 0.00 -0.03 0.00 0.00 56.01 57.08 3gfg n LEU 327 Cb 0.35 -1.55 0.26 0.00 -2.33 0.00 0.00 43.42 40.14 3gfg n LEU 327 CO 0.63 -0.62 0.89 1.55 -1.33 0.00 0.00 177.39 178.52 3gfg h PRO 328 N 1.66 0.56 -3.43 3.23 0.13 -1.89 -3.39 132.00 128.87 3gfg h PRO 328 Ca -0.50 -0.14 -0.44 0.00 -0.87 0.00 0.00 66.00 64.06 3gfg h PRO 328 Cb 1.30 -0.07 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 3gfg h PRO 328 CO 0.58 0.62 -0.75 0.08 -0.23 0.00 0.00 178.00 178.29 3gfg s VAL 329 N -4.89 0.16 0.62 1.56 1.01 -1.26 -5.11 120.40 112.49 3gfg s VAL 329 Ca -0.08 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3gfg s VAL 329 Cb 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3gfg s VAL 329 CO 0.78 0.05 1.03 0.42 0.00 0.00 0.00 175.10 177.37 3gfg s THR 330 N 2.05 4.64 0.21 3.92 -4.23 -1.26 -3.48 115.64 117.48 3gfg s THR 330 Ca 0.03 0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 61.32 3gfg s THR 330 Cb -0.14 -3.82 0.15 0.00 1.34 0.00 0.00 72.50 70.03 3gfg s THR 330 CO -0.06 -1.10 1.88 0.00 -0.54 0.00 0.00 174.62 174.80 3gfg h ALA 331 N -0.29 0.95 -0.34 3.99 0.00 -1.94 -2.36 119.26 119.27 3gfg h ALA 331 Ca -0.44 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.47 3gfg h ALA 331 Cb 1.19 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3gfg h ALA 331 CO 0.62 0.37 0.05 1.49 0.00 0.00 0.00 179.25 181.77 3gfg h GLU 332 N 1.01 0.16 -0.95 0.00 4.57 -1.94 -1.07 114.58 116.36 3gfg h GLU 332 Ca 0.27 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.57 3gfg h GLU 332 Cb -0.11 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.37 3gfg h GLU 332 CO -0.06 0.10 0.60 0.93 -1.18 0.00 0.00 179.01 179.41 3gfg h GLU 333 N 0.16 0.83 -0.28 1.92 5.08 -1.87 -0.14 114.58 120.30 3gfg h GLU 333 Ca 0.16 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3gfg h GLU 333 Cb 0.19 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gfg h GLU 333 CO -0.23 0.55 -0.51 0.78 -1.00 0.00 0.00 179.01 178.60 3gfg h GLY 334 N 0.86 0.86 0.96 -3.84 0.00 -0.88 -2.71 103.07 98.31 3gfg h GLY 334 Ca 0.47 -0.96 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 3gfg h GLY 334 CO -0.24 0.87 0.07 -2.22 0.00 0.00 0.00 176.54 175.02 3gfg h ILE 335 N 0.61 1.25 -0.99 2.60 2.04 -0.54 -2.85 117.51 119.63 3gfg h ILE 335 Ca 0.02 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3gfg h ILE 335 Cb 1.09 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 3gfg h ILE 335 CO 0.11 0.31 0.64 0.78 0.00 0.00 0.00 178.15 180.00 3gfg h ASN 336 N 0.60 1.03 -0.07 1.72 2.35 -0.95 0.22 115.58 120.49 3gfg h ASN 336 Ca 0.14 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3gfg h ASN 336 Cb 0.38 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3gfg h ASN 336 CO 0.01 0.67 -0.10 0.58 -1.65 0.00 0.00 177.43 176.94 3gfg h VAL 337 N 1.18 0.74 0.00 2.81 2.07 -1.35 -1.25 116.25 120.44 3gfg h VAL 337 Ca 0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.93 3gfg h VAL 337 Cb 0.14 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3gfg h VAL 337 CO -0.17 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.74 3gfg h ILE 338 N -0.13 1.03 -0.59 4.57 1.08 -1.11 -1.96 117.51 120.40 3gfg h ILE 338 Ca 0.06 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.14 3gfg h ILE 338 Cb 0.22 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 3gfg h ILE 338 CO -0.15 0.08 -0.02 0.03 -0.69 0.00 0.00 178.15 177.40 3gfg h ARG 339 N 0.00 1.05 -0.18 2.37 3.08 0.19 -0.94 114.38 119.95 3gfg h ARG 339 Ca -0.00 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 3gfg h ARG 339 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3gfg h ARG 339 CO 0.01 1.04 0.03 0.82 -1.07 0.00 0.00 179.97 180.80 3gfg h ILE 340 N 0.96 1.22 -0.62 2.04 1.08 -0.68 -1.72 117.51 119.79 3gfg h ILE 340 Ca 0.17 -0.72 0.09 0.00 -0.39 0.00 0.00 64.86 64.00 3gfg h ILE 340 Cb 0.58 1.35 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 3gfg h ILE 340 CO 0.03 0.22 0.26 0.40 -0.69 0.00 0.00 178.15 178.37 3gfg h ILE 341 N 0.10 0.80 -0.35 -0.67 2.04 -1.30 0.11 117.51 118.24 3gfg h ILE 341 Ca 0.06 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 3gfg h ILE 341 Cb 0.31 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3gfg h ILE 341 CO 0.00 0.08 -0.36 -0.33 0.00 0.00 0.00 178.15 177.55 3gfg h GLU 342 N 0.46 0.81 -0.26 2.37 5.08 -1.05 -1.77 114.58 120.23 3gfg h GLU 342 Ca 0.31 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3gfg h GLU 342 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3gfg h GLU 342 CO -0.29 1.03 -0.19 0.00 -1.00 0.00 0.00 179.01 178.57 3gfg h ALA 343 N 0.92 1.20 -0.35 3.43 0.00 -0.85 -1.62 119.26 122.00 3gfg h ALA 343 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3gfg h ALA 343 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3gfg h ALA 343 CO 0.08 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 3gfg h ALA 344 N 1.38 0.48 -0.23 0.00 0.00 -0.55 0.16 119.26 120.50 3gfg h ALA 344 Ca 0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3gfg h ALA 344 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gfg h ALA 344 CO 0.04 0.35 -0.36 0.52 0.00 0.00 0.00 179.25 179.80 3gfg h MET 345 N 0.47 0.50 -0.06 0.00 2.07 -1.15 -1.30 114.93 115.46 3gfg h MET 345 Ca 0.08 -0.23 -0.02 0.00 -2.07 0.00 0.00 59.70 57.47 3gfg h MET 345 Cb 0.62 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.35 3gfg h MET 345 CO 0.04 0.79 -0.02 1.49 1.07 0.00 0.00 176.91 180.27 3gfg h GLU 346 N 0.42 0.12 -0.66 1.72 4.57 -1.28 -2.54 114.58 116.92 3gfg h GLU 346 Ca 0.04 -0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 3gfg h GLU 346 Cb 0.83 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.31 3gfg h GLU 346 CO 0.07 0.49 0.08 1.03 -1.18 0.00 0.00 179.01 179.49 3gfg h SER 347 N -0.25 -0.15 0.02 1.04 0.87 -0.77 -0.37 113.55 113.95 3gfg h SER 347 Ca 0.01 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3gfg h SER 347 Cb 0.45 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3gfg h SER 347 CO 0.01 -0.08 -0.01 -1.28 -0.53 0.00 0.00 176.83 174.94 3gfg h SER 348 N 0.18 -0.03 -0.69 6.23 0.87 -1.24 0.14 113.55 119.02 3gfg h SER 348 Ca 0.35 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3gfg h SER 348 Cb 0.58 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 3gfg h SER 348 CO -0.51 0.16 0.44 0.50 -0.53 0.00 0.00 176.83 176.88 3gfg h LYS 349 N -0.21 0.84 -0.01 2.24 3.64 -1.04 -2.99 116.57 119.04 3gfg h LYS 349 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3gfg h LYS 349 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3gfg h LYS 349 CO 0.01 0.56 -0.39 0.39 -2.27 0.00 0.00 179.45 177.75 3gfg n GLU 350 N -4.66 1.04 -3.26 1.90 -0.58 -0.18 -4.98 120.64 109.92 3gfg n GLU 350 Ca 0.07 -0.77 -0.16 0.00 -0.42 0.00 0.00 57.16 55.88 3gfg n GLU 350 Cb 0.07 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 29.53 3gfg n GLU 350 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gfg n LYS 351 N -0.31 -5.86 -3.76 3.49 4.76 0.47 -5.00 118.16 111.95 3gfg n LYS 351 Ca 0.10 0.68 -0.07 0.00 -2.87 0.00 0.00 58.31 56.16 3gfg n LYS 351 Cb 0.41 -5.24 -0.02 0.00 -1.84 0.00 0.00 35.03 28.35 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 -5.52 1.53 -0.02 1.97 1.70 -1.03 -5.06 118.95 112.51 3gfg s ARG 352 Ca 0.21 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 3gfg s ARG 352 Cb -0.09 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3gfg s ARG 352 CO 0.59 -0.70 1.04 0.99 -1.08 0.00 0.00 175.30 176.15 3gfg s THR 353 N -3.70 4.66 -0.25 4.99 2.01 -1.26 -4.51 115.64 117.58 3gfg s THR 353 Ca 0.10 1.92 -0.12 0.00 0.31 0.00 0.00 61.69 63.89 3gfg s THR 353 Cb -0.04 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 3gfg s THR 353 CO 0.02 0.10 0.23 -0.63 -0.69 0.00 0.00 174.62 173.65 3gfg s ILE 354 N 1.39 5.30 0.14 1.82 -1.09 -0.39 -4.97 121.20 123.41 3gfg s ILE 354 Ca 0.53 0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 3gfg s ILE 354 Cb -0.22 -3.56 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 3gfg s ILE 354 CO 0.25 0.29 1.00 -0.04 -1.23 0.00 0.00 174.94 175.21 3gfg s MET 355 N 1.38 4.68 0.00 2.79 -1.94 -1.26 -0.97 119.30 123.98 3gfg s MET 355 Ca 0.10 1.53 0.28 0.00 -1.71 0.00 0.00 55.69 55.88 3gfg s MET 355 Cb -0.15 -3.34 0.96 0.00 2.01 0.00 0.00 34.83 34.31 3gfg s MET 355 CO 0.07 0.19 1.69 1.28 -0.01 0.00 0.00 175.02 178.25