#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s THR 13 N 0.00 3.03 -0.21 -3.53 -4.23 -1.26 -4.97 115.64 104.48 3gfg s THR 13 Ca 0.00 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 61.24 3gfg s THR 13 Cb 0.00 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 3gfg s THR 13 CO 0.00 0.23 1.60 -0.63 -0.54 0.00 0.00 174.62 175.29 3gfg s ILE 14 N -1.17 3.71 -0.16 2.99 1.01 -0.21 -4.72 121.20 122.65 3gfg s ILE 14 Ca 0.48 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 3gfg s ILE 14 Cb -0.36 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3gfg s ILE 14 CO 0.47 -0.27 1.33 -0.54 0.00 0.00 0.00 174.94 175.93 3gfg s LYS 15 N 4.58 4.20 0.01 2.79 -0.14 -1.26 -0.70 119.74 129.23 3gfg s LYS 15 Ca 0.71 1.72 0.05 0.00 -1.36 0.00 0.00 55.97 57.09 3gfg s LYS 15 Cb -0.25 -3.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.06 3gfg s LYS 15 CO 0.29 -0.76 -0.13 0.08 -0.76 0.00 0.00 175.35 174.07 3gfg s VAL 16 N 3.65 3.18 -0.04 3.17 1.01 0.31 -1.20 120.40 130.48 3gfg s VAL 16 Ca 0.58 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3gfg s VAL 16 Cb -0.23 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3gfg s VAL 16 CO 0.17 0.41 -0.15 -0.83 0.00 0.00 0.00 175.10 174.71 3gfg s GLY 17 N -1.29 0.81 -0.18 4.51 0.00 -0.12 -0.39 107.32 110.66 3gfg s GLY 17 Ca 0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 3gfg s GLY 17 CO 0.05 -0.23 -0.08 -0.42 0.00 0.00 0.00 173.10 172.42 3gfg s ILE 18 N 0.15 3.24 -0.25 0.90 1.01 -0.73 -0.27 121.20 125.25 3gfg s ILE 18 Ca -0.05 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 3gfg s ILE 18 Cb -0.11 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3gfg s ILE 18 CO 0.02 0.48 0.63 -0.76 0.00 0.00 0.00 174.94 175.31 3gfg s LEU 19 N 0.92 4.07 0.00 2.97 1.43 0.82 -0.76 118.68 128.13 3gfg s LEU 19 Ca -0.02 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3gfg s LEU 19 Cb -0.15 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.20 3gfg s LEU 19 CO 0.00 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.83 3gfg n GLY 20 N 4.09 -2.59 2.23 -3.19 0.00 0.18 -1.40 105.19 104.50 3gfg n GLY 20 Ca -0.01 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.68 1.92 0.00 1.61 9.36 -1.26 -4.42 117.16 123.69 3gfg n TYR 21 Ca 0.00 -2.08 0.00 0.00 3.32 0.00 0.00 57.90 59.14 3gfg n TYR 21 Cb 0.00 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 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 -0.27 0.18 2.98 0.00 -1.26 -4.36 105.19 101.82 3gfg n GLY 22 Ca 0.27 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.42 -0.37 0.99 5.85 -1.96 -1.86 115.31 117.53 3gfg h LEU 23 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3gfg h LEU 23 Cb 0.00 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3gfg h LEU 23 CO 0.00 -0.17 0.09 -1.28 -0.34 0.00 0.00 178.44 176.74 3gfg h SER 24 N -0.14 0.56 -0.51 1.25 0.87 -1.91 -2.24 113.55 111.43 3gfg h SER 24 Ca 0.10 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 3gfg h SER 24 Cb 0.29 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3gfg h SER 24 CO -0.25 0.64 0.07 1.23 -0.53 0.00 0.00 176.83 177.99 3gfg h GLY 25 N 0.45 0.92 0.80 5.77 0.00 -1.74 -2.62 103.07 106.65 3gfg h GLY 25 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3gfg h GLY 25 CO 0.00 0.58 -1.03 -1.14 0.00 0.00 0.00 176.54 174.95 3gfg n SER 26 N -4.39 0.66 -0.03 0.19 3.41 -0.71 -1.86 113.62 110.89 3gfg n SER 26 Ca 0.01 0.08 -0.05 0.00 -0.26 0.00 0.00 58.87 58.65 3gfg n SER 26 Cb 0.27 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.29 0.38 -0.04 -3.33 0.31 -0.84 -4.35 118.33 108.18 3gfg n VAL 27 Ca 0.01 -0.14 -0.03 0.00 -0.01 0.00 0.00 64.34 64.17 3gfg n VAL 27 Cb 0.49 -0.87 -0.14 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.79 0.35 -0.02 3.52 3.72 -1.02 -4.48 117.46 116.74 3gfg n PHE 28 Ca -0.12 0.12 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3gfg n PHE 28 Cb 0.62 -0.95 -0.01 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.72 0.00 0.00 1.38 8.25 -1.02 -4.60 115.22 116.51 3gfg n HIS 29 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3gfg n HIS 29 Cb 0.96 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 2.21 -0.85 0.26 -1.41 0.00 -0.78 -0.96 105.19 103.67 3gfg n GLY 30 Ca -0.04 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 0.06 -0.20 1.61 0.11 -1.79 0.11 132.00 131.91 3gfg h PRO 31 Ca 0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3gfg h PRO 31 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3gfg h PRO 31 CO 0.00 0.07 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.61 3gfg h LEU 32 N 0.06 0.50 -0.17 2.35 3.38 -1.36 -3.06 115.31 117.01 3gfg h LEU 32 Ca 0.02 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.54 3gfg h LEU 32 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3gfg h LEU 32 CO 0.00 0.87 0.00 -0.07 0.09 0.00 0.00 178.44 179.33 3gfg h LEU 33 N 0.14 -0.06 -0.97 1.67 3.38 0.84 -2.81 115.31 117.49 3gfg h LEU 33 Ca 0.03 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.27 3gfg h LEU 33 Cb 0.72 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 3gfg h LEU 33 CO 0.05 -0.01 0.54 -0.78 0.09 0.00 0.00 178.44 178.33 3gfg h ASP 34 N 0.06 0.60 1.62 -0.43 3.58 -0.91 -2.94 116.42 118.00 3gfg h ASP 34 Ca 0.08 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3gfg h ASP 34 Cb 0.10 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3gfg h ASP 34 CO -0.13 0.11 0.00 -0.37 -2.88 0.00 0.00 179.24 175.96 3gfg h VAL 35 N 0.56 0.00 -3.70 2.25 -1.51 -1.39 -3.42 116.25 109.04 3gfg h VAL 35 Ca 0.61 -0.64 -0.66 0.00 -1.23 0.00 0.00 66.70 64.78 3gfg h VAL 35 Cb 1.12 1.63 -0.17 0.00 -2.13 0.00 0.00 31.29 31.74 3gfg h VAL 35 CO -0.47 0.00 -0.34 -0.76 -1.23 0.00 0.00 177.57 174.77 3gfg s LEU 36 N -5.08 4.39 0.00 4.19 1.43 -1.11 -4.95 118.68 117.55 3gfg s LEU 36 Ca 0.09 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3gfg s LEU 36 Cb 0.10 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3gfg s LEU 36 CO 0.61 -0.28 0.37 -0.90 0.23 0.00 0.00 176.35 176.38 3gfg n ASP 37 N 5.30 0.76 0.11 2.29 5.68 -1.26 -1.85 116.55 127.59 3gfg n ASP 37 Ca -0.10 -1.41 -0.01 0.00 -0.50 0.00 0.00 54.79 52.77 3gfg n ASP 37 Cb 0.50 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 3gfg n ASP 37 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gfg h GLU 38 N 0.30 0.00 -5.82 0.11 3.07 -1.92 -3.46 114.58 106.86 3gfg h GLU 38 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 3gfg h GLU 38 Cb 0.37 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 27.96 3gfg h GLU 38 CO 0.00 0.66 -0.88 0.71 -1.40 0.00 0.00 179.01 178.10 3gfg s TYR 39 N -2.88 2.44 -0.21 4.33 2.02 -0.77 -1.05 117.35 121.23 3gfg s TYR 39 Ca 0.03 -0.80 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 3gfg s TYR 39 Cb 0.08 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3gfg s TYR 39 CO 0.77 -0.27 -0.04 -1.14 -1.57 0.00 0.00 175.55 173.30 3gfg s GLN 40 N -0.03 3.40 -0.48 -0.62 2.00 0.13 -4.86 119.66 119.20 3gfg s GLN 40 Ca -0.07 -0.62 -0.21 0.00 -2.00 0.00 0.00 55.36 52.46 3gfg s GLN 40 Cb -0.15 -2.99 0.04 0.00 0.80 0.00 0.00 33.01 30.71 3gfg s GLN 40 CO 0.05 -0.15 0.70 0.42 -0.50 0.00 0.00 175.29 175.81 3gfg s ILE 41 N 1.35 4.76 -0.14 -2.34 1.01 -1.26 0.11 121.20 124.69 3gfg s ILE 41 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 3gfg s ILE 41 Cb -0.14 -4.29 -0.24 0.00 0.01 0.00 0.00 42.46 37.79 3gfg s ILE 41 CO -0.02 -0.74 0.27 -1.20 0.00 0.00 0.00 174.94 173.24 3gfg n SER 42 N 6.46 1.90 -3.95 3.58 7.64 0.47 -4.10 113.62 125.62 3gfg n SER 42 Ca -0.02 0.15 -0.09 0.00 1.01 0.00 0.00 58.87 59.92 3gfg n SER 42 Cb 0.47 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.55 0.50 -0.05 1.43 1.02 -1.19 -0.92 119.74 117.98 3gfg s LYS 43 Ca -0.23 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 3gfg s LYS 43 Cb 0.07 0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.61 3gfg s LYS 43 CO 0.74 -0.11 0.08 0.42 -0.92 0.00 0.00 175.35 175.56 3gfg s ILE 44 N -2.30 -0.13 -0.49 2.17 1.01 0.34 -1.78 121.20 120.02 3gfg s ILE 44 Ca -0.08 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 3gfg s ILE 44 Cb -0.03 -0.18 0.05 0.00 0.01 0.00 0.00 42.46 42.31 3gfg s ILE 44 CO -0.03 0.16 0.66 -0.32 0.00 0.00 0.00 174.94 175.40 3gfg s MET 45 N 2.01 3.19 -0.00 2.79 -2.45 0.06 -1.63 119.30 123.26 3gfg s MET 45 Ca 0.02 -0.68 -0.29 0.00 -1.25 0.00 0.00 55.69 53.49 3gfg s MET 45 Cb -0.12 -4.05 0.10 0.00 1.25 0.00 0.00 34.83 32.01 3gfg s MET 45 CO -0.04 -1.19 0.95 -0.08 1.05 0.00 0.00 175.02 175.72 3gfg s THR 46 N 2.83 0.00 -0.10 10.11 -1.32 -0.96 0.49 115.64 126.69 3gfg s THR 46 Ca 0.19 -0.12 0.22 0.00 -1.21 0.00 0.00 61.69 60.76 3gfg s THR 46 Cb -0.17 -1.21 -0.24 0.00 -1.51 0.00 0.00 72.50 69.37 3gfg s THR 46 CO 0.15 0.00 0.65 -1.54 -2.21 0.00 0.00 174.62 171.67 3gfg n SER 47 N -0.28 0.26 -3.29 8.08 3.41 -1.26 -4.61 113.62 115.94 3gfg n SER 47 Ca -0.07 0.09 -0.25 0.00 -0.26 0.00 0.00 58.87 58.38 3gfg n SER 47 Cb 0.61 1.52 -0.04 0.00 -0.26 0.00 0.00 64.21 66.05 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 -2.38 1.00 0.32 4.33 1.74 -1.26 -4.77 116.66 115.64 3gfg n ARG 48 Ca -0.03 -1.20 -0.19 0.00 -0.77 0.00 0.00 57.85 55.67 3gfg n ARG 48 Cb 0.56 -2.44 -0.10 0.00 -1.02 0.00 0.00 32.46 29.46 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 4.11 0.02 -0.21 0.55 2.02 -2.01 -2.90 112.91 114.50 3gfg h THR 49 Ca 0.30 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 3gfg h THR 49 Cb 0.33 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3gfg h THR 49 CO 1.55 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 176.96 3gfg h GLU 50 N -1.04 0.36 -0.80 6.66 4.39 -2.00 -2.65 114.58 119.50 3gfg h GLU 50 Ca -0.07 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.57 3gfg h GLU 50 Cb 0.89 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 3gfg h GLU 50 CO -0.03 0.51 0.53 0.93 -1.16 0.00 0.00 179.01 179.78 3gfg h GLU 51 N 0.33 0.95 -0.24 2.33 3.07 -1.92 0.51 114.58 119.61 3gfg h GLU 51 Ca 0.06 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 3gfg h GLU 51 Cb 0.46 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3gfg h GLU 51 CO 0.03 0.63 -0.11 0.28 -1.40 0.00 0.00 179.01 178.44 3gfg h VAL 52 N 0.98 1.30 -0.98 3.13 2.07 -1.28 -2.92 116.25 118.55 3gfg h VAL 52 Ca 0.32 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3gfg h VAL 52 Cb 0.05 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3gfg h VAL 52 CO -0.09 0.36 0.65 0.50 0.02 0.00 0.00 177.57 179.01 3gfg h LYS 53 N 0.21 1.29 -0.28 1.57 3.64 -1.08 0.72 116.57 122.63 3gfg h LYS 53 Ca 0.05 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3gfg h LYS 53 Cb 0.60 -0.29 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 3gfg h LYS 53 CO 0.03 0.85 -0.39 0.00 -2.27 0.00 0.00 179.45 177.67 3gfg h ARG 54 N 1.32 -0.36 0.06 1.90 3.08 -0.93 -3.30 114.38 116.16 3gfg h ARG 54 Ca 0.36 0.02 -0.32 0.00 0.07 0.00 0.00 59.98 60.11 3gfg h ARG 54 Cb -0.14 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3gfg h ARG 54 CO -0.08 -0.24 -1.82 -0.44 -1.07 0.00 0.00 179.97 176.32 3gfg h ASP 55 N -0.37 0.19 -2.78 7.04 3.32 -0.86 -3.42 116.42 119.54 3gfg h ASP 55 Ca 0.12 -0.43 -0.60 0.00 0.02 0.00 0.00 57.03 56.13 3gfg h ASP 55 Cb 0.58 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 39.68 3gfg h ASP 55 CO -0.49 1.39 -0.81 -0.36 -1.72 0.00 0.00 179.24 177.25 3gfg s PHE 56 N -2.58 1.95 0.46 4.55 0.08 0.23 -4.99 117.98 117.67 3gfg s PHE 56 Ca -0.12 -2.60 0.23 0.00 0.12 0.00 0.00 56.93 54.56 3gfg s PHE 56 Cb 0.07 -1.61 1.24 0.00 -0.57 0.00 0.00 43.02 42.16 3gfg s PHE 56 CO 0.80 -0.74 1.84 -1.35 -0.10 0.00 0.00 175.22 175.68 3gfg h PRO 57 N 5.83 0.25 -0.00 0.24 0.11 -1.74 -2.17 132.00 134.52 3gfg h PRO 57 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gfg h PRO 57 Cb 0.87 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gfg h PRO 57 CO 0.49 0.16 -0.96 -0.25 -0.21 0.00 0.00 178.00 177.23 3gfg n ASP 58 N -4.44 1.02 -4.80 -2.05 8.00 -1.26 -4.92 116.55 108.10 3gfg n ASP 58 Ca 0.21 -1.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.40 3gfg n ASP 58 Cb 0.86 0.96 0.05 0.00 -0.02 0.00 0.00 41.12 42.97 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 -2.98 2.58 -0.03 2.24 0.00 -0.82 -4.92 121.76 117.84 3gfg s ALA 59 Ca 0.09 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3gfg s ALA 59 Cb 0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3gfg s ALA 59 CO 0.85 -1.26 -0.15 -2.00 0.00 0.00 0.00 175.76 173.20 3gfg s GLU 60 N -4.74 2.41 -0.09 0.00 2.12 -0.09 -4.95 118.70 113.36 3gfg s GLU 60 Ca 0.61 -0.76 -0.19 0.00 0.36 0.00 0.00 54.97 54.98 3gfg s GLU 60 Cb -0.16 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3gfg s GLU 60 CO 0.50 0.60 0.53 0.08 -0.54 0.00 0.00 175.26 176.44 3gfg s VAL 61 N -0.77 5.12 0.23 3.70 1.01 -1.26 -0.50 120.40 127.92 3gfg s VAL 61 Ca 0.12 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.22 3gfg s VAL 61 Cb -0.11 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3gfg s VAL 61 CO 0.02 0.34 -0.05 0.68 0.00 0.00 0.00 175.10 176.09 3gfg s VAL 62 N 0.46 1.30 0.00 2.92 -7.23 -0.65 -4.94 120.40 112.26 3gfg s VAL 62 Ca 0.28 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3gfg s VAL 62 Cb -0.16 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3gfg s VAL 62 CO 0.13 -0.40 0.00 1.41 -0.31 0.00 0.00 175.10 175.93 3gfg n HIS 63 N -0.43 0.00 -3.46 2.82 8.25 -1.26 -2.26 115.22 118.87 3gfg n HIS 63 Ca -0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 3gfg n HIS 63 Cb 0.63 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.68 3gfg n HIS 63 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3gfg s GLU 64 N -1.75 3.85 0.26 -0.41 -1.05 -1.26 -4.83 118.70 113.51 3gfg s GLU 64 Ca 0.00 0.31 -0.01 0.00 -0.15 0.00 0.00 54.97 55.11 3gfg s GLU 64 Cb 0.00 -2.91 0.48 0.00 -0.44 0.00 0.00 34.13 31.26 3gfg s GLU 64 CO 0.00 0.48 1.82 1.25 0.95 0.00 0.00 175.26 179.76 3gfg h LEU 65 N 3.42 0.79 0.00 1.83 5.85 -2.01 -3.02 115.31 122.18 3gfg h LEU 65 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3gfg h LEU 65 Cb 1.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gfg h LEU 65 CO 0.67 0.43 0.00 -0.62 -0.34 0.00 0.00 178.44 178.58 3gfg n GLU 66 N -4.69 0.00 0.03 1.25 4.71 -1.26 -1.28 120.64 119.40 3gfg n GLU 66 Ca 0.16 0.28 0.11 0.00 -0.01 0.00 0.00 57.16 57.71 3gfg n GLU 66 Cb 0.32 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.32 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 -1.28 0.23 -0.09 3.49 1.02 -1.14 -2.42 120.64 120.45 3gfg n GLU 67 Ca 0.00 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 3gfg n GLU 67 Cb 0.00 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 29.72 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 -1.89 1.58 -0.08 -3.67 5.41 -0.40 -4.25 119.36 116.06 3gfg n ILE 68 Ca 0.03 -0.40 -0.13 0.00 1.00 0.00 0.00 62.75 63.25 3gfg n ILE 68 Cb 0.42 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.50 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 -0.53 1.32 0.00 1.39 1.35 -1.66 -2.76 112.91 112.02 3gfg h THR 69 Ca -0.52 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 3gfg h THR 69 Cb 1.70 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3gfg h THR 69 CO -0.17 0.40 0.00 0.59 -0.25 0.00 0.00 175.52 176.09 3gfg n ASN 70 N -4.45 0.00 -4.66 5.36 4.13 -1.02 -4.64 115.26 109.98 3gfg n ASN 70 Ca -0.05 -1.16 -0.42 0.00 1.68 0.00 0.00 54.58 54.63 3gfg n ASN 70 Cb 0.39 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gfg s ASP 71 N -1.76 6.99 0.25 6.41 -1.08 -1.04 -4.96 116.67 121.49 3gfg s ASP 71 Ca 0.33 1.23 0.25 0.00 -0.52 0.00 0.00 52.55 53.84 3gfg s ASP 71 Cb 0.15 -2.48 0.65 0.00 -1.46 0.00 0.00 42.92 39.78 3gfg s ASP 71 CO 0.25 -0.48 1.68 1.55 0.52 0.00 0.00 175.17 178.70 3gfg h PRO 72 N 7.40 0.00 0.00 4.34 0.13 -1.86 -3.33 132.00 138.68 3gfg h PRO 72 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 3gfg h PRO 72 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3gfg h PRO 72 CO 0.87 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 178.06 3gfg h ALA 73 N 2.40 0.81 -2.44 -0.56 0.00 -1.94 -3.45 119.26 114.09 3gfg h ALA 73 Ca 0.00 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.84 3gfg h ALA 73 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gfg h ALA 73 CO 0.00 0.73 0.66 0.42 0.00 0.00 0.00 179.25 181.07 3gfg s ILE 74 N -3.32 3.91 -0.20 0.00 -1.09 -1.25 -4.63 121.20 114.62 3gfg s ILE 74 Ca 0.01 1.34 0.05 0.00 -2.23 0.00 0.00 60.65 59.81 3gfg s ILE 74 Cb 0.11 -3.86 -0.15 0.00 -1.58 0.00 0.00 42.46 36.98 3gfg s ILE 74 CO 0.74 0.06 -0.13 -0.62 -1.23 0.00 0.00 174.94 173.77 3gfg n GLU 75 N 4.45 0.72 -4.91 2.79 1.02 -0.34 -4.90 120.64 119.47 3gfg n GLU 75 Ca 0.10 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 57.06 3gfg n GLU 75 Cb 0.45 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.29 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 -5.97 1.93 -0.11 -4.62 2.96 -0.96 -0.59 118.68 111.32 3gfg s LEU 76 Ca -0.23 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3gfg s LEU 76 Cb 0.07 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 3gfg s LEU 76 CO 0.52 0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.88 3gfg s VAL 77 N 0.09 3.01 -0.38 1.68 1.01 -0.24 -0.94 120.40 124.64 3gfg s VAL 77 Ca -0.06 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3gfg s VAL 77 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3gfg s VAL 77 CO 0.03 0.54 0.24 -0.63 0.00 0.00 0.00 175.10 175.28 3gfg s ILE 78 N 0.05 4.93 -0.64 2.22 -1.09 0.63 -1.03 121.20 126.27 3gfg s ILE 78 Ca -0.05 -0.65 -0.21 0.00 -2.23 0.00 0.00 60.65 57.51 3gfg s ILE 78 Cb -0.15 -3.69 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 3gfg s ILE 78 CO 0.04 -0.20 0.88 -0.69 -1.23 0.00 0.00 174.94 173.75 3gfg s VAL 79 N 1.63 4.49 -0.18 2.92 1.01 0.72 -0.13 120.40 130.87 3gfg s VAL 79 Ca 0.04 -0.56 0.16 0.00 0.00 0.00 0.00 61.98 61.62 3gfg s VAL 79 Cb -0.19 -4.62 0.33 0.00 0.00 0.00 0.00 36.38 31.91 3gfg s VAL 79 CO 0.08 -1.35 1.22 0.35 0.00 0.00 0.00 175.10 175.41 3gfg n THR 80 N 5.80 1.87 -1.39 3.92 -2.24 -0.49 -1.90 114.28 119.86 3gfg n THR 80 Ca -0.06 -1.95 -0.29 0.00 -2.27 0.00 0.00 64.05 59.48 3gfg n THR 80 Cb 0.44 -0.13 0.18 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.57 1.88 0.63 4.28 -4.23 -1.20 -4.69 115.64 109.73 3gfg s THR 81 Ca 0.31 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.64 3gfg s THR 81 Cb 0.26 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 3gfg s THR 81 CO 0.05 0.00 1.06 -2.65 -0.54 0.00 0.00 174.62 172.54 3gfg n PRO 82 N -4.15 0.92 -0.31 3.99 -0.02 -1.26 -4.80 135.00 129.36 3gfg n PRO 82 Ca 0.09 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 3gfg n PRO 82 Cb 0.59 -2.28 0.21 0.00 -0.02 0.00 0.00 33.50 32.01 3gfg n PRO 82 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3gfg h SER 83 N 0.42 0.96 0.40 2.55 0.02 -1.93 -0.91 113.55 115.04 3gfg h SER 83 Ca -0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3gfg h SER 83 Cb 1.36 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3gfg h SER 83 CO 0.51 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 3gfg n GLY 84 N -1.39 -1.09 0.01 -3.77 0.00 -1.26 -1.48 105.19 96.20 3gfg n GLY 84 Ca 0.13 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.25 0.76 -0.25 0.99 4.32 -0.35 -4.58 117.00 115.64 3gfg n LEU 85 Ca 0.00 -0.30 0.05 0.00 -0.02 0.00 0.00 56.01 55.74 3gfg n LEU 85 Cb 0.14 -0.05 0.18 0.00 -1.62 0.00 0.00 43.42 42.07 3gfg n LEU 85 CO 0.15 0.17 0.96 0.45 -1.22 0.00 0.00 177.39 177.90 3gfg h HIS 86 N 0.00 0.34 -0.35 -1.77 3.86 -1.20 -2.20 115.15 113.83 3gfg h HIS 86 Ca 0.00 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gfg h HIS 86 Cb 0.59 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3gfg h HIS 86 CO 0.00 -0.04 0.21 -0.92 0.86 0.00 0.00 177.93 178.04 3gfg h TYR 87 N 0.32 0.46 0.06 2.45 3.20 -1.81 -2.20 116.97 119.44 3gfg h TYR 87 Ca 0.41 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 62.02 3gfg h TYR 87 Cb 0.67 -0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.81 3gfg h TYR 87 CO -0.23 0.33 -1.03 1.05 -1.64 0.00 0.00 178.16 176.64 3gfg h GLU 88 N 0.45 0.59 -0.32 1.82 4.11 -1.72 -2.00 114.58 117.52 3gfg h GLU 88 Ca 0.12 -0.72 -0.03 0.00 0.07 0.00 0.00 59.36 58.81 3gfg h GLU 88 Cb 0.00 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3gfg h GLU 88 CO -0.02 1.30 0.07 0.45 0.07 0.00 0.00 179.01 180.88 3gfg h HIS 89 N 0.20 0.54 -0.35 2.06 3.86 -1.49 -1.73 115.15 118.25 3gfg h HIS 89 Ca -0.14 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 3gfg h HIS 89 Cb 1.71 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 30.01 3gfg h HIS 89 CO 0.12 0.57 0.15 1.15 0.86 0.00 0.00 177.93 180.78 3gfg h THR 90 N 0.36 1.18 -0.67 2.45 2.02 -1.44 -1.76 112.91 115.04 3gfg h THR 90 Ca 0.10 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3gfg h THR 90 Cb 0.30 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3gfg h THR 90 CO 0.00 0.19 0.34 -0.03 0.37 0.00 0.00 175.52 176.39 3gfg h MET 91 N 0.43 0.95 -0.31 6.66 -1.53 -1.32 -1.11 114.93 118.69 3gfg h MET 91 Ca 0.12 -0.12 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 3gfg h MET 91 Cb 0.16 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 3gfg h MET 91 CO -0.01 0.72 -0.15 0.00 0.14 0.00 0.00 176.91 177.60 3gfg h ALA 92 N 1.42 1.15 -0.14 0.39 0.00 -1.03 0.40 119.26 121.45 3gfg h ALA 92 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gfg h ALA 92 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gfg h ALA 92 CO -0.03 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 179.67 3gfg h ILE 94 N -0.04 1.19 0.00 0.00 2.04 -1.10 -1.11 117.51 118.49 3gfg h ILE 94 Ca 0.03 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3gfg h ILE 94 Cb 0.56 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3gfg h ILE 94 CO 0.02 0.20 0.07 1.56 0.00 0.00 0.00 178.15 180.01 3gfg h GLN 95 N 0.25 0.00 -0.02 2.37 1.08 -0.99 -0.78 115.11 117.02 3gfg h GLN 95 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3gfg h GLN 95 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3gfg h GLN 95 CO -0.00 0.00 -0.06 0.00 -0.95 0.00 0.00 178.83 177.82 3gfg n ALA 96 N -1.85 2.60 -1.10 3.87 0.00 -0.88 -4.99 120.51 118.16 3gfg n ALA 96 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3gfg n ALA 96 Cb 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 1.08 0.78 3.89 0.00 0.00 -0.30 -5.02 105.19 105.62 3gfg n GLY 97 Ca 0.10 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.41 3.57 0.48 1.61 -0.14 -0.47 -4.99 119.74 117.39 3gfg s LYS 98 Ca 0.00 -0.12 -0.20 0.00 -1.36 0.00 0.00 55.97 54.29 3gfg s LYS 98 Cb 0.00 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 3gfg s LYS 98 CO 0.00 0.63 1.04 -1.01 -0.76 0.00 0.00 175.35 175.24 3gfg s HIS 99 N -1.36 3.00 -0.01 3.18 3.76 0.25 -4.33 115.29 119.79 3gfg s HIS 99 Ca 0.30 1.58 0.05 0.00 -0.15 0.00 0.00 55.06 56.83 3gfg s HIS 99 Cb -0.13 -3.06 -0.01 0.00 1.11 0.00 0.00 32.58 30.48 3gfg s HIS 99 CO 0.18 -0.82 -0.15 0.08 -0.85 0.00 0.00 174.74 173.18 3gfg s VAL 100 N -1.98 1.19 -0.28 -0.90 1.01 -0.35 -1.08 120.40 118.01 3gfg s VAL 100 Ca 0.67 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3gfg s VAL 100 Cb -0.16 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.26 3gfg s VAL 100 CO 0.20 0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 3gfg s VAL 101 N -0.40 2.95 0.15 2.92 1.01 -0.20 -2.04 120.40 124.78 3gfg s VAL 101 Ca 0.05 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.56 3gfg s VAL 101 Cb -0.06 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 3gfg s VAL 101 CO -0.00 -0.02 0.65 -0.04 0.00 0.00 0.00 175.10 175.69 3gfg s MET 102 N 1.27 4.24 0.53 2.72 1.00 -0.53 -0.20 119.30 128.33 3gfg s MET 102 Ca -0.04 0.81 -0.19 0.00 0.00 0.00 0.00 55.69 56.27 3gfg s MET 102 Cb -0.19 -3.08 -0.06 0.00 0.00 0.00 0.00 34.83 31.50 3gfg s MET 102 CO -0.02 0.52 1.08 -1.21 0.00 0.00 0.00 175.02 175.39 3gfg s GLU 103 N -1.54 3.52 0.56 2.03 0.41 -0.80 0.05 118.70 122.94 3gfg s GLU 103 Ca 0.36 1.45 -0.16 0.00 -0.41 0.00 0.00 54.97 56.21 3gfg s GLU 103 Cb -0.18 -2.04 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 3gfg s GLU 103 CO 0.21 -0.68 1.02 -1.59 -0.49 0.00 0.00 175.26 173.73 3gfg s LYS 104 N -3.39 3.61 0.46 1.61 0.00 -1.26 -3.76 119.74 117.02 3gfg s LYS 104 Ca 0.69 1.05 -0.24 0.00 0.00 0.00 0.00 55.97 57.47 3gfg s LYS 104 Cb -0.20 -2.08 -0.07 0.00 0.00 0.00 0.00 37.83 35.48 3gfg s LYS 104 CO 0.26 -0.56 1.34 -1.25 0.00 0.00 0.00 175.35 175.14 3gfg s PRO 105 N -4.17 3.63 0.00 1.78 0.04 -1.26 -5.05 135.00 129.96 3gfg s PRO 105 Ca 0.61 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3gfg s PRO 105 Cb -0.13 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3gfg s PRO 105 CO 0.36 -0.79 0.87 -0.12 0.04 0.00 0.00 177.00 177.36 3gfg n MET 106 N -0.37 0.00 -4.12 4.56 0.00 -1.25 -4.92 117.12 111.03 3gfg n MET 106 Ca 0.06 0.59 -0.12 0.00 -0.00 0.00 0.00 57.70 58.23 3gfg n MET 106 Cb 0.44 -1.37 -0.07 0.00 0.00 0.00 0.00 33.22 32.22 3gfg n MET 106 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3gfg s THR 107 N -2.49 0.00 0.22 1.12 -4.23 -1.26 -4.81 115.64 104.20 3gfg s THR 107 Ca 0.00 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 3gfg s THR 107 Cb 0.00 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.45 3gfg s THR 107 CO 0.00 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.74 3gfg h ALA 108 N 2.33 0.93 -2.97 3.99 0.00 -1.91 -3.46 119.26 118.16 3gfg h ALA 108 Ca -0.30 -0.34 -0.41 0.00 0.00 0.00 0.00 54.91 53.86 3gfg h ALA 108 Cb 1.25 -0.17 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 3gfg h ALA 108 CO 0.42 0.62 -0.76 0.95 0.00 0.00 0.00 179.25 180.48 3gfg s THR 109 N -4.74 1.29 0.34 0.00 -4.23 -1.26 -4.93 115.64 102.11 3gfg s THR 109 Ca -0.10 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 3gfg s THR 109 Cb 0.13 -1.46 0.11 0.00 1.34 0.00 0.00 72.50 72.63 3gfg s THR 109 CO 0.83 -0.39 1.82 0.00 -0.54 0.00 0.00 174.62 176.35 3gfg h ALA 110 N 3.64 1.32 -0.60 3.99 0.00 -1.89 -2.99 119.26 122.74 3gfg h ALA 110 Ca -0.40 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.25 3gfg h ALA 110 Cb 1.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3gfg h ALA 110 CO 0.49 0.46 0.37 1.49 0.00 0.00 0.00 179.25 182.06 3gfg h GLU 111 N 0.28 0.71 -0.70 0.00 4.81 -1.97 -1.22 114.58 116.49 3gfg h GLU 111 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3gfg h GLU 111 Cb 0.53 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3gfg h GLU 111 CO 0.04 0.47 0.39 0.93 -0.73 0.00 0.00 179.01 180.10 3gfg h GLU 112 N 0.73 0.97 -0.23 1.92 5.08 -1.96 -2.35 114.58 118.74 3gfg h GLU 112 Ca 0.24 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 3gfg h GLU 112 Cb 0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3gfg h GLU 112 CO -0.10 0.73 -0.43 0.78 -1.00 0.00 0.00 179.01 178.99 3gfg h GLY 113 N 0.96 0.60 0.72 -3.84 0.00 -1.39 -2.82 103.07 97.30 3gfg h GLY 113 Ca 0.25 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.01 3gfg h GLY 113 CO -0.04 0.55 0.13 0.83 0.00 0.00 0.00 176.54 178.01 3gfg h GLU 114 N 0.45 0.28 -1.00 4.80 4.39 -1.05 -1.26 114.58 121.19 3gfg h GLU 114 Ca 0.03 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3gfg h GLU 114 Cb 0.93 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 3gfg h GLU 114 CO 0.08 0.18 0.66 1.15 -1.16 0.00 0.00 179.01 179.92 3gfg h THR 115 N 0.29 1.24 -0.24 1.13 2.02 -1.26 -0.07 112.91 116.01 3gfg h THR 115 Ca 0.16 -0.46 -0.20 0.00 0.77 0.00 0.00 66.41 66.68 3gfg h THR 115 Cb 0.12 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.32 3gfg h THR 115 CO -0.15 0.24 -0.61 -0.07 0.37 0.00 0.00 175.52 175.30 3gfg h LEU 116 N 1.33 0.96 -0.13 2.58 3.38 -1.32 -2.03 115.31 120.08 3gfg h LEU 116 Ca 0.37 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gfg h LEU 116 Cb -0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 3gfg h LEU 116 CO -0.09 1.35 0.07 0.50 0.09 0.00 0.00 178.44 180.36 3gfg h LYS 117 N 0.61 0.18 -0.50 1.13 3.64 -0.94 -0.20 116.57 120.48 3gfg h LYS 117 Ca -0.01 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3gfg h LYS 117 Cb 1.23 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 3gfg h LYS 117 CO 0.13 0.20 0.05 0.00 -2.27 0.00 0.00 179.45 177.56 3gfg h ARG 118 N 0.11 0.17 -0.45 1.90 3.08 -1.01 0.56 114.38 118.73 3gfg h ARG 118 Ca 0.04 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3gfg h ARG 118 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3gfg h ARG 118 CO -0.01 0.11 -0.11 0.00 -1.07 0.00 0.00 179.97 178.89 3gfg h ALA 119 N 1.42 0.97 0.30 0.04 0.00 -1.14 -1.57 119.26 119.28 3gfg h ALA 119 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gfg h ALA 119 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gfg h ALA 119 CO -0.37 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 3gfg h ALA 120 N 1.15 -0.40 -0.92 0.00 0.00 -0.18 -1.09 119.26 117.81 3gfg h ALA 120 Ca 0.12 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.03 3gfg h ALA 120 Cb 0.60 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 3gfg h ALA 120 CO 0.04 -0.53 0.50 -0.44 0.00 0.00 0.00 179.25 178.82 3gfg h ASP 121 N -0.81 0.59 -0.54 0.00 3.32 -0.97 -0.00 116.42 118.01 3gfg h ASP 121 Ca -0.04 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3gfg h ASP 121 Cb 0.51 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3gfg h ASP 121 CO 0.07 0.19 0.34 -0.33 -1.72 0.00 0.00 179.24 177.78 3gfg h GLU 122 N 0.63 0.66 0.00 3.56 4.39 -1.11 -3.12 114.58 119.58 3gfg h GLU 122 Ca 0.54 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 3gfg h GLU 122 Cb 0.87 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3gfg h GLU 122 CO -0.41 0.44 -0.54 -0.22 -1.16 0.00 0.00 179.01 177.11 3gfg h LYS 123 N 0.68 0.00 0.00 2.33 1.63 -0.26 -3.48 116.57 117.47 3gfg h LYS 123 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3gfg h LYS 123 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3gfg h LYS 123 CO -0.07 0.09 0.00 0.41 -3.45 0.00 0.00 179.45 176.43 3gfg n GLY 124 N 1.17 0.78 3.88 5.01 0.00 -0.10 -5.06 105.19 110.87 3gfg n GLY 124 Ca 0.01 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 4.91 -0.11 1.61 -7.23 -0.83 -5.02 120.40 111.73 3gfg s VAL 125 Ca 0.00 -0.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.93 3gfg s VAL 125 Cb 0.00 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.36 3gfg s VAL 125 CO 0.00 -0.17 0.93 -0.76 -0.31 0.00 0.00 175.10 174.79 3gfg s LEU 126 N -3.38 4.25 -0.13 1.32 1.43 -1.26 -4.34 118.68 116.56 3gfg s LEU 126 Ca 0.33 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 3gfg s LEU 126 Cb -0.10 -3.43 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 3gfg s LEU 126 CO 0.26 -0.39 -0.19 -0.22 0.23 0.00 0.00 176.35 176.04 3gfg s LEU 127 N 1.85 2.30 0.13 1.79 2.96 -1.26 -1.21 118.68 125.23 3gfg s LEU 127 Ca 0.45 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3gfg s LEU 127 Cb -0.18 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3gfg s LEU 127 CO 0.17 0.12 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.74 3gfg s SER 128 N 0.59 1.13 -0.03 3.68 0.15 -0.87 -3.46 113.70 114.89 3gfg s SER 128 Ca -0.11 -1.07 0.06 0.00 0.70 0.00 0.00 55.95 55.53 3gfg s SER 128 Cb -0.16 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 3gfg s SER 128 CO 0.03 -0.51 -0.20 -0.69 1.20 0.00 0.00 173.24 173.07 3gfg s VAL 129 N -3.65 1.61 -1.45 4.45 1.01 -1.26 -1.45 120.40 119.66 3gfg s VAL 129 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 3gfg s VAL 129 Cb 0.06 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 35.14 3gfg s VAL 129 CO -0.01 0.46 2.22 0.00 0.00 0.00 0.00 175.10 177.76 3gfg n TYR 130 N 2.73 3.44 -2.45 5.22 9.36 0.11 -4.79 117.16 130.78 3gfg n TYR 130 Ca -0.16 -2.96 -0.42 0.00 3.32 0.00 0.00 57.90 57.68 3gfg n TYR 130 Cb 0.53 -2.49 0.01 0.00 -0.63 0.00 0.00 39.34 36.75 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 5.78 2.70 1.26 2.98 8.25 -1.26 -4.36 115.22 130.57 3gfg n HIS 131 Ca 0.52 -2.73 0.13 0.00 -0.26 0.00 0.00 57.72 55.37 3gfg n HIS 131 Cb 0.38 -1.73 0.66 0.00 1.12 0.00 0.00 29.99 30.42 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 2.74 0.00 0.01 0.41 6.94 -1.26 -3.04 115.26 121.07 3gfg n ASN 132 Ca 0.40 -0.19 0.07 0.00 -0.02 0.00 0.00 54.58 54.84 3gfg n ASN 132 Cb 0.33 -0.24 0.29 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.24 0.02 0.00 -3.83 3.00 -1.26 -0.78 116.66 112.57 3gfg n ARG 133 Ca 0.13 0.30 0.04 0.00 -0.01 0.00 0.00 57.85 58.31 3gfg n ARG 133 Cb 0.18 -1.54 0.20 0.00 0.00 0.00 0.00 32.46 31.31 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 -1.57 0.09 -0.32 5.56 1.74 -1.17 -2.33 116.66 118.65 3gfg n ARG 134 Ca 0.03 0.24 0.07 0.00 -0.77 0.00 0.00 57.85 57.42 3gfg n ARG 134 Cb 0.16 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.33 0.00 -2.25 -1.55 8.01 0.04 -4.61 117.44 115.75 3gfg n TRP 135 Ca 0.03 -0.83 -0.36 0.00 -1.31 0.00 0.00 57.50 55.03 3gfg n TRP 135 Cb 0.07 -0.14 -0.00 0.00 -2.01 0.00 0.00 31.31 29.22 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 -2.48 5.95 0.19 -0.99 1.11 -0.99 -1.30 116.67 118.16 3gfg s ASP 136 Ca 0.26 2.25 -0.11 0.00 0.18 0.00 0.00 52.55 55.13 3gfg s ASP 136 Cb 0.24 -2.59 0.20 0.00 1.07 0.00 0.00 42.92 41.84 3gfg s ASP 136 CO -0.00 -1.06 1.77 -0.55 1.18 0.00 0.00 175.17 176.50 3gfg h ASN 137 N 1.65 0.32 -0.54 0.27 7.08 -1.82 -1.24 115.58 121.28 3gfg h ASN 137 Ca -0.50 0.05 -0.00 0.00 -3.08 0.00 0.00 56.30 52.77 3gfg h ASN 137 Cb 1.25 -0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.47 3gfg h ASN 137 CO 0.59 0.21 0.32 -2.24 -2.08 0.00 0.00 177.43 174.23 3gfg h ASP 138 N 0.47 0.66 -0.29 6.14 3.04 -1.93 -2.24 116.42 122.27 3gfg h ASP 138 Ca 0.26 -0.07 -0.14 0.00 -3.24 0.00 0.00 57.03 53.84 3gfg h ASP 138 Cb 0.23 -0.17 -0.01 0.00 -1.04 0.00 0.00 39.33 38.35 3gfg h ASP 138 CO -0.22 0.53 -0.35 0.15 -2.04 0.00 0.00 179.24 177.31 3gfg h PHE 139 N 0.73 0.97 -0.05 4.15 3.57 -1.79 -1.76 116.94 122.75 3gfg h PHE 139 Ca 0.19 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3gfg h PHE 139 Cb -0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3gfg h PHE 139 CO -0.02 1.05 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.89 3gfg h LEU 140 N 0.68 0.07 -0.29 0.59 3.38 -1.18 -1.42 115.31 117.15 3gfg h LEU 140 Ca 0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3gfg h LEU 140 Cb 0.91 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3gfg h LEU 140 CO 0.08 0.23 -0.19 0.74 0.09 0.00 0.00 178.44 179.39 3gfg h THR 141 N 0.08 1.30 0.25 0.22 2.02 -0.92 -1.86 112.91 114.00 3gfg h THR 141 Ca 0.02 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3gfg h THR 141 Cb 0.30 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3gfg h THR 141 CO 0.02 0.42 -0.12 0.40 0.37 0.00 0.00 175.52 176.61 3gfg h ILE 142 N 0.39 0.75 -0.86 3.11 2.04 -0.87 -1.41 117.51 120.66 3gfg h ILE 142 Ca 0.06 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3gfg h ILE 142 Cb 0.73 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 3gfg h ILE 142 CO 0.05 0.00 0.49 0.11 0.00 0.00 0.00 178.15 178.80 3gfg h LYS 143 N -0.35 0.75 -0.55 2.37 1.57 -1.30 0.17 116.57 119.24 3gfg h LYS 143 Ca -0.03 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3gfg h LYS 143 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3gfg h LYS 143 CO 0.06 0.50 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.19 3gfg h LYS 144 N 0.78 0.97 -0.47 3.15 3.64 -1.14 -0.01 116.57 123.48 3gfg h LYS 144 Ca 0.43 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3gfg h LYS 144 Cb 0.46 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3gfg h LYS 144 CO -0.28 0.97 0.09 -0.07 -2.27 0.00 0.00 179.45 177.89 3gfg h LEU 145 N 0.88 0.73 -0.09 5.20 3.38 -0.29 -1.87 115.31 123.24 3gfg h LEU 145 Ca 0.16 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3gfg h LEU 145 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3gfg h LEU 145 CO 0.03 0.79 -0.04 0.40 0.09 0.00 0.00 178.44 179.71 3gfg h ILE 146 N 0.64 0.86 0.00 1.22 2.04 -0.35 -0.64 117.51 121.29 3gfg h ILE 146 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3gfg h ILE 146 Cb 0.36 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3gfg h ILE 146 CO 0.01 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.93 3gfg h SER 147 N -0.03 0.00 0.24 1.72 4.64 -0.89 -0.84 113.55 118.39 3gfg h SER 147 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gfg h SER 147 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gfg h SER 147 CO -0.12 0.00 -0.27 -0.62 -0.87 0.00 0.00 176.83 174.95 3gfg n GLU 148 N -2.77 0.82 -1.95 4.77 1.02 -0.72 -4.93 120.64 116.88 3gfg n GLU 148 Ca 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 57.16 56.59 3gfg n GLU 148 Cb 0.22 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.35 0.25 0.12 0.62 0.00 -0.32 -4.93 105.19 102.27 3gfg n GLY 149 Ca 0.12 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.76 0.76 -2.99 1.61 7.64 -0.29 -4.33 113.62 116.77 3gfg n SER 150 Ca -0.08 -0.57 -0.18 0.00 1.01 0.00 0.00 58.87 59.05 3gfg n SER 150 Cb 0.49 0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.08 1.85 -4.74 -3.43 4.77 -1.25 -4.80 117.00 108.32 3gfg n LEU 151 Ca 0.09 -4.87 -0.41 0.00 -0.03 0.00 0.00 56.01 50.78 3gfg n LEU 151 Cb 0.34 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 3gfg n LEU 151 CO 0.31 2.15 0.89 -1.61 -1.33 0.00 0.00 177.39 177.79 3gfg s GLU 152 N -2.83 4.49 -0.90 3.23 0.41 -1.26 -4.17 118.70 117.67 3gfg s GLU 152 Ca 0.39 1.90 -0.03 0.00 -0.41 0.00 0.00 54.97 56.83 3gfg s GLU 152 Cb 0.36 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 29.46 3gfg s GLU 152 CO -0.07 -0.08 0.81 -3.47 -0.49 0.00 0.00 175.26 171.95 3gfg n ASP 153 N 2.30 -7.19 -4.74 -0.19 2.03 -1.26 -2.31 116.55 105.20 3gfg n ASP 153 Ca 0.04 -0.40 -0.42 0.00 0.52 0.00 0.00 54.79 54.53 3gfg n ASP 153 Cb 0.44 -5.20 -0.02 0.00 -0.72 0.00 0.00 41.12 35.62 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 -3.20 2.51 -0.01 5.18 1.01 -1.26 -3.00 121.20 122.44 3gfg s ILE 154 Ca 0.23 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.32 3gfg s ILE 154 Cb -0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3gfg s ILE 154 CO 0.75 0.05 0.05 -0.46 0.00 0.00 0.00 174.94 175.33 3gfg n ASN 155 N 2.81 4.32 -3.77 3.58 0.23 0.17 -4.67 115.26 117.93 3gfg n ASN 155 Ca 0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.01 3gfg n ASN 155 Cb 0.39 0.96 -0.14 0.00 -2.08 0.00 0.00 39.78 38.91 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 -2.16 -0.03 -0.31 5.53 2.01 -0.81 -1.73 115.64 118.13 3gfg s THR 156 Ca -0.01 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3gfg s THR 156 Cb 0.02 -0.22 0.10 0.00 0.01 0.00 0.00 72.50 72.41 3gfg s THR 156 CO 0.12 0.05 0.11 -0.47 -0.69 0.00 0.00 174.62 173.75 3gfg s TYR 157 N 0.83 1.37 -0.17 4.92 5.04 -0.60 -1.17 117.35 127.58 3gfg s TYR 157 Ca -0.06 -1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 52.98 3gfg s TYR 157 Cb -0.08 -1.51 -0.02 0.00 0.35 0.00 0.00 41.96 40.70 3gfg s TYR 157 CO -0.04 -0.86 -0.06 -0.65 -1.34 0.00 0.00 175.55 172.60 3gfg s GLN 158 N 1.67 3.52 -0.04 4.97 -0.21 0.35 -0.09 119.66 129.84 3gfg s GLN 158 Ca 0.10 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 54.90 3gfg s GLN 158 Cb -0.17 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.00 3gfg s GLN 158 CO -0.26 0.12 -0.03 0.08 -2.12 0.00 0.00 175.29 173.08 3gfg s VAL 159 N 0.64 0.43 0.05 1.09 1.01 0.08 -0.62 120.40 123.08 3gfg s VAL 159 Ca -0.04 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3gfg s VAL 159 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3gfg s VAL 159 CO 0.02 0.21 -0.18 -0.94 0.00 0.00 0.00 175.10 174.22 3gfg s SER 160 N 1.07 3.83 -0.43 3.32 1.04 -0.41 -1.42 113.70 120.70 3gfg s SER 160 Ca -0.09 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 55.97 3gfg s SER 160 Cb -0.14 -0.62 0.21 0.00 0.10 0.00 0.00 66.02 65.58 3gfg s SER 160 CO -0.01 0.25 0.45 0.00 0.98 0.00 0.00 173.24 174.91 3gfg n TYR 161 N 1.46 -0.22 -3.13 5.02 -0.00 0.37 -4.62 117.16 116.05 3gfg n TYR 161 Ca -0.16 -3.52 -0.23 0.00 -0.00 0.00 0.00 57.90 53.99 3gfg n TYR 161 Cb 0.52 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 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 -0.74 6.03 0.20 2.98 0.01 -1.26 -4.00 114.94 118.16 3gfg s ASN 162 Ca 0.34 0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 52.71 3gfg s ASN 162 Cb 0.10 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 40.03 3gfg s ASN 162 CO -0.15 -0.53 0.47 0.00 -1.51 0.00 0.00 177.10 175.38 3gfg s ARG 163 N -4.46 1.37 -0.51 -0.60 1.70 -0.74 -4.92 118.95 110.79 3gfg s ARG 163 Ca 0.45 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 3gfg s ARG 163 Cb -0.10 0.48 0.13 0.00 -0.57 0.00 0.00 34.95 34.90 3gfg s ARG 163 CO 0.37 -0.57 0.28 -0.47 -1.08 0.00 0.00 175.30 173.84 3gfg s TYR 164 N -3.92 3.40 -0.44 5.89 5.04 -1.24 -1.70 117.35 124.38 3gfg s TYR 164 Ca 0.13 -2.90 0.05 0.00 -2.44 0.00 0.00 57.07 51.92 3gfg s TYR 164 Cb -0.00 -3.02 0.19 0.00 0.35 0.00 0.00 41.96 39.49 3gfg s TYR 164 CO 0.00 -0.84 0.42 0.54 -1.34 0.00 0.00 175.55 174.33 3gfg n ARG 165 N 3.61 0.57 0.20 4.97 1.74 0.10 -4.98 116.66 122.86 3gfg n ARG 165 Ca 0.05 -3.36 0.04 0.00 -0.77 0.00 0.00 57.85 53.81 3gfg n ARG 165 Cb 0.37 -1.63 0.41 0.00 -1.02 0.00 0.00 32.46 30.59 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 5.12 0.00 -6.34 5.56 0.13 -1.93 -3.44 132.00 131.09 3gfg h PRO 166 Ca 0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.78 3gfg h PRO 166 Cb 0.88 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.97 3gfg h PRO 166 CO 0.44 0.33 0.00 -2.00 -0.23 0.00 0.00 178.00 176.54 3gfg s GLU 167 N -4.17 4.20 0.67 0.86 2.56 -1.26 -4.68 118.70 116.89 3gfg s GLU 167 Ca -0.03 0.75 -0.11 0.00 0.00 0.00 0.00 54.97 55.59 3gfg s GLU 167 Cb 0.14 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 33.15 3gfg s GLU 167 CO 0.70 0.56 1.06 0.08 -0.56 0.00 0.00 175.26 177.10 3gfg s VAL 168 N -1.25 3.75 0.00 3.70 1.01 -1.26 -5.15 120.40 121.20 3gfg s VAL 168 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3gfg s VAL 168 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3gfg s VAL 168 CO 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 175.10 174.59 3gfg n ALA 179 N -2.90 0.00 -2.35 5.51 0.00 -1.26 -5.15 120.51 114.36 3gfg n ALA 179 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3gfg n ALA 179 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 3.23 0.00 0.00 -4.23 -1.26 -4.86 115.64 108.53 3gfg s THR 180 Ca 0.00 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3gfg s THR 180 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3gfg s THR 180 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3gfg n GLY 181 N -1.51 -0.49 0.06 3.99 0.00 -1.26 -4.47 105.19 101.52 3gfg n GLY 181 Ca 0.01 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3gfg n GLY 181 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gfg n THR 182 N -0.51 0.40 -0.04 2.61 -2.24 -0.38 -1.39 114.28 112.73 3gfg n THR 182 Ca 0.00 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 3gfg n THR 182 Cb 0.00 -0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 3gfg n THR 182 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3gfg h LEU 183 N 0.00 0.30 -0.18 3.22 5.85 -1.84 -0.47 115.31 122.20 3gfg h LEU 183 Ca 0.00 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3gfg h LEU 183 Cb 0.60 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gfg h LEU 183 CO 0.00 0.81 -0.02 1.88 -0.34 0.00 0.00 178.44 180.78 3gfg h TYR 184 N -0.20 0.36 -0.09 1.25 -1.99 -1.75 -2.10 116.97 112.45 3gfg h TYR 184 Ca 0.00 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.57 3gfg h TYR 184 Cb 0.76 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.41 3gfg h TYR 184 CO 0.11 0.56 -0.32 0.22 -0.00 0.00 0.00 178.16 178.72 3gfg h ASP 185 N 0.06 0.44 0.00 3.88 3.58 -1.33 -3.33 116.42 119.73 3gfg h ASP 185 Ca 0.05 -0.62 -0.25 0.00 0.42 0.00 0.00 57.03 56.62 3gfg h ASP 185 Cb 0.42 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 3gfg h ASP 185 CO 0.01 0.99 -1.92 0.18 -2.88 0.00 0.00 179.24 175.62 3gfg n LEU 186 N -4.41 2.44 -0.20 2.28 4.77 -0.52 -4.62 117.00 116.74 3gfg n LEU 186 Ca -0.08 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 3gfg n LEU 186 Cb 0.50 -0.54 0.30 0.00 -2.33 0.00 0.00 43.42 41.34 3gfg n LEU 186 CO 0.42 0.64 1.23 1.23 -1.33 0.00 0.00 177.39 179.58 3gfg h GLY 187 N 0.66 1.03 0.23 -0.72 0.00 -0.62 -2.37 103.07 101.28 3gfg h GLY 187 Ca -0.38 -0.35 0.18 0.00 0.00 0.00 0.00 47.33 46.78 3gfg h GLY 187 CO -0.12 0.30 0.61 1.48 0.00 0.00 0.00 176.54 178.82 3gfg h SER 188 N 0.89 0.73 -0.17 0.19 4.64 -1.51 -0.22 113.55 118.10 3gfg h SER 188 Ca 0.30 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3gfg h SER 188 Cb 0.07 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3gfg h SER 188 CO -0.09 0.29 0.07 0.45 -0.87 0.00 0.00 176.83 176.68 3gfg h HIS 189 N 0.73 0.26 0.00 4.77 3.86 -1.70 0.76 115.15 123.83 3gfg h HIS 189 Ca 0.54 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 3gfg h HIS 189 Cb 0.89 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 3gfg h HIS 189 CO -0.00 0.33 -0.24 -0.84 0.86 0.00 0.00 177.93 178.03 3gfg h ILE 190 N 0.12 0.10 -0.16 2.45 3.07 -1.54 -2.64 117.51 118.90 3gfg h ILE 190 Ca 0.06 -1.15 -0.05 0.00 1.55 0.00 0.00 64.86 65.27 3gfg h ILE 190 Cb 0.17 1.97 -0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3gfg h ILE 190 CO -0.00 0.06 -0.08 0.40 -1.05 0.00 0.00 178.15 177.47 3gfg h ILE 191 N 0.00 1.31 -0.84 0.16 2.04 -0.88 -2.76 117.51 116.54 3gfg h ILE 191 Ca -0.00 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.77 3gfg h ILE 191 Cb 1.05 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 3gfg h ILE 191 CO 0.01 0.34 0.53 -0.78 0.00 0.00 0.00 178.15 178.24 3gfg h ASP 192 N 0.02 0.86 -0.64 1.72 3.58 -0.71 -0.70 116.42 120.54 3gfg h ASP 192 Ca 0.04 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3gfg h ASP 192 Cb 0.56 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3gfg h ASP 192 CO 0.02 0.57 0.24 1.56 -2.88 0.00 0.00 179.24 178.76 3gfg h GLN 193 N 1.00 1.00 0.27 0.28 4.20 -1.51 -0.60 115.11 119.77 3gfg h GLN 193 Ca 0.35 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3gfg h GLN 193 Cb 0.08 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3gfg h GLN 193 CO -0.14 0.84 -0.13 1.15 -0.67 0.00 0.00 178.83 179.88 3gfg h THR 194 N 0.98 0.75 -0.97 -0.54 2.02 -1.07 -1.81 112.91 112.28 3gfg h THR 194 Ca 0.22 -0.61 0.15 0.00 0.77 0.00 0.00 66.41 66.94 3gfg h THR 194 Cb 0.23 1.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 3gfg h THR 194 CO -0.01 0.12 0.59 -0.07 0.37 0.00 0.00 175.52 176.51 3gfg h LEU 195 N -0.71 0.81 -1.13 2.58 3.38 -1.09 -0.43 115.31 118.73 3gfg h LEU 195 Ca -0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3gfg h LEU 195 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3gfg h LEU 195 CO 0.06 0.37 -0.30 -0.74 0.09 0.00 0.00 178.44 177.93 3gfg h HIS 196 N 0.85 0.26 0.10 1.13 2.76 -0.89 0.12 115.15 119.47 3gfg h HIS 196 Ca 0.51 -0.05 -0.24 0.00 -2.20 0.00 0.00 60.37 58.39 3gfg h HIS 196 Cb 0.64 -0.06 0.02 0.00 1.55 0.00 0.00 27.41 29.56 3gfg h HIS 196 CO -0.02 0.51 -1.00 -0.07 -1.30 0.00 0.00 177.93 176.06 3gfg h LEU 197 N 0.20 0.70 -0.71 0.26 3.38 -0.42 -3.42 115.31 115.31 3gfg h LEU 197 Ca 0.03 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3gfg h LEU 197 Cb 0.64 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gfg h LEU 197 CO 0.05 1.47 0.00 0.49 0.09 0.00 0.00 178.44 180.54 3gfg n PHE 198 N -3.97 0.00 -4.21 1.13 3.72 -0.26 -5.11 117.46 108.76 3gfg n PHE 198 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3gfg n PHE 198 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 0.02 -0.92 3.82 1.37 0.00 0.38 -4.87 105.19 104.98 3gfg n GLY 199 Ca 0.00 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 4.08 0.99 1.61 -1.94 -1.26 -4.33 119.30 118.46 3gfg s MET 200 Ca 0.00 0.60 -0.17 0.00 -1.71 0.00 0.00 55.69 54.41 3gfg s MET 200 Cb 0.00 -3.23 0.22 0.00 2.01 0.00 0.00 34.83 33.83 3gfg s MET 200 CO 0.00 0.66 1.35 -1.25 -0.01 0.00 0.00 175.02 175.77 3gfg s PRO 201 N -1.10 0.37 -0.01 2.03 0.04 -1.26 -5.02 135.00 130.05 3gfg s PRO 201 Ca 0.27 -0.51 -0.22 0.00 0.04 0.00 0.00 61.00 60.58 3gfg s PRO 201 Cb -0.18 -1.82 -0.20 0.00 0.04 0.00 0.00 34.50 32.33 3gfg s PRO 201 CO 0.17 -2.59 1.16 0.87 0.04 0.00 0.00 177.00 176.65 3gfg h LYS 202 N -1.77 0.28 -3.60 4.56 1.57 -0.47 -3.45 116.57 113.69 3gfg h LYS 202 Ca -0.44 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.05 3gfg h LYS 202 Cb 1.22 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 3gfg h LYS 202 CO 0.33 0.89 -0.10 0.00 -0.57 0.00 0.00 179.45 179.99 3gfg s ALA 203 N -3.58 -0.34 -0.04 3.86 0.00 -1.25 -0.63 121.76 119.78 3gfg s ALA 203 Ca -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3gfg s ALA 203 Cb 0.03 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.20 3gfg s ALA 203 CO 0.76 -0.84 -0.04 0.08 0.00 0.00 0.00 175.76 175.72 3gfg s VAL 204 N -4.00 0.50 -0.15 0.00 1.01 -0.39 -1.92 120.40 115.45 3gfg s VAL 204 Ca 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3gfg s VAL 204 Cb -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3gfg s VAL 204 CO 0.07 0.22 -0.20 -0.89 0.00 0.00 0.00 175.10 174.30 3gfg s THR 205 N 0.98 2.22 0.04 3.92 2.01 -0.75 -1.05 115.64 123.02 3gfg s THR 205 Ca -0.10 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 60.99 3gfg s THR 205 Cb -0.14 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 3gfg s THR 205 CO -0.00 0.54 -0.05 0.00 -0.69 0.00 0.00 174.62 174.41 3gfg s ALA 206 N 0.91 0.44 -0.15 7.40 0.00 -1.26 -1.08 121.76 128.01 3gfg s ALA 206 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3gfg s ALA 206 Cb -0.15 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gfg s ALA 206 CO -0.03 -0.13 -0.10 1.21 0.00 0.00 0.00 175.76 176.71 3gfg s ASN 207 N -1.84 2.73 -0.03 0.00 2.47 0.30 -3.37 114.94 115.19 3gfg s ASN 207 Ca -0.08 -0.56 0.03 0.00 0.42 0.00 0.00 52.86 52.67 3gfg s ASN 207 Cb -0.06 -1.04 -0.00 0.00 -1.45 0.00 0.00 41.25 38.70 3gfg s ASN 207 CO -0.02 -0.12 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.42 3gfg s VAL 208 N 1.56 1.10 0.36 -5.21 1.01 -1.26 0.55 120.40 118.52 3gfg s VAL 208 Ca 0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 3gfg s VAL 208 Cb -0.14 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.33 3gfg s VAL 208 CO -0.09 0.33 0.80 0.00 0.00 0.00 0.00 175.10 176.14 3gfg s MET 209 N 0.10 2.13 -0.34 2.72 0.23 -0.74 -4.95 119.30 118.46 3gfg s MET 209 Ca -0.03 -1.35 -0.09 0.00 -1.03 0.00 0.00 55.69 53.18 3gfg s MET 209 Cb -0.10 0.61 0.02 0.00 -1.53 0.00 0.00 34.83 33.83 3gfg s MET 209 CO 0.01 -1.00 0.16 0.00 -2.03 0.00 0.00 175.02 172.16 3gfg s ALA 210 N -2.49 3.20 -0.06 3.16 0.00 -1.26 -1.47 121.76 122.85 3gfg s ALA 210 Ca 0.15 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.55 3gfg s ALA 210 Cb -0.05 -2.42 -0.24 0.00 0.00 0.00 0.00 23.12 20.41 3gfg s ALA 210 CO 0.11 -1.20 0.61 0.37 0.00 0.00 0.00 175.76 175.65 3gfg h GLN 211 N 8.35 0.10 -7.15 0.00 4.15 -1.89 -3.48 115.11 115.18 3gfg h GLN 211 Ca -0.27 -0.17 -0.50 0.00 0.77 0.00 0.00 58.65 58.47 3gfg h GLN 211 Cb 1.11 0.06 0.08 0.00 0.21 0.00 0.00 27.48 28.95 3gfg h GLN 211 CO 0.63 0.77 0.40 1.03 -1.93 0.00 0.00 178.83 179.73 3gfg s ARG 212 N -2.59 3.13 0.23 1.69 0.52 -1.26 -4.94 118.95 115.74 3gfg s ARG 212 Ca -0.10 1.44 -0.14 0.00 -0.52 0.00 0.00 55.73 56.41 3gfg s ARG 212 Cb 0.08 -1.99 0.29 0.00 0.52 0.00 0.00 34.95 33.84 3gfg s ARG 212 CO 0.81 -1.00 1.58 1.49 0.02 0.00 0.00 175.30 178.20 3gfg h GLU 213 N 0.59 -0.04 -0.85 3.54 4.57 -1.94 -3.03 114.58 117.41 3gfg h GLU 213 Ca -0.48 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.22 3gfg h GLU 213 Cb 1.25 0.01 -0.42 0.00 -0.16 0.00 0.00 28.75 29.42 3gfg h GLU 213 CO 0.56 -0.02 -0.89 0.09 -1.18 0.00 0.00 179.01 177.56 3gfg n ASN 214 N -5.51 3.96 -4.92 1.04 4.13 -1.26 -5.09 115.26 107.62 3gfg n ASN 214 Ca 0.10 -3.32 -0.27 0.00 1.68 0.00 0.00 54.58 52.76 3gfg n ASN 214 Cb 0.41 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 -3.59 3.76 0.03 5.41 0.00 -1.15 -5.02 121.76 121.20 3gfg s ALA 215 Ca 0.44 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3gfg s ALA 215 Cb 0.39 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 3gfg s ALA 215 CO -0.02 0.35 -0.07 0.39 0.00 0.00 0.00 175.76 176.41 3gfg n GLU 216 N -0.81 0.10 -1.84 0.00 1.02 -1.26 -4.98 120.64 112.88 3gfg n GLU 216 Ca -0.04 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 3gfg n GLU 216 Cb 0.54 -0.68 0.04 0.00 -0.02 0.00 0.00 31.44 31.32 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gfg s THR 217 N -2.16 3.22 0.13 2.62 -4.23 -1.26 -4.81 115.64 109.15 3gfg s THR 217 Ca -0.06 0.60 -0.32 0.00 -1.18 0.00 0.00 61.69 60.72 3gfg s THR 217 Cb 0.01 -3.13 -0.12 0.00 1.34 0.00 0.00 72.50 70.60 3gfg s THR 217 CO 0.08 -0.32 1.75 0.52 -0.54 0.00 0.00 174.62 176.12 3gfg n VAL 218 N -2.23 0.21 -0.29 2.29 0.31 -1.26 -4.55 118.33 112.80 3gfg n VAL 218 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3gfg n VAL 218 Cb 0.52 -1.93 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 4.80 1.18 -3.73 4.52 5.68 -0.54 -1.25 116.55 127.21 3gfg n ASP 219 Ca 0.18 -1.47 -0.12 0.00 -0.50 0.00 0.00 54.79 52.88 3gfg n ASP 219 Cb 0.34 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.47 -0.43 0.02 2.11 5.04 -1.03 -2.59 117.35 120.00 3gfg s TYR 220 Ca 0.00 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.62 3gfg s TYR 220 Cb 0.00 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.44 3gfg s TYR 220 CO 0.00 -0.25 -0.04 -0.59 -1.34 0.00 0.00 175.55 173.33 3gfg s PHE 221 N 0.95 0.37 -0.15 4.97 -0.12 -0.46 -1.80 117.98 121.74 3gfg s PHE 221 Ca -0.06 -0.29 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 3gfg s PHE 221 Cb -0.07 -0.23 0.05 0.00 -0.63 0.00 0.00 43.02 42.14 3gfg s PHE 221 CO -0.07 -0.07 0.07 -1.58 -0.05 0.00 0.00 175.22 173.52 3gfg s HIS 222 N -0.77 0.30 -0.08 3.49 2.46 0.19 -1.86 115.29 119.02 3gfg s HIS 222 Ca -0.06 -0.29 0.04 0.00 0.47 0.00 0.00 55.06 55.22 3gfg s HIS 222 Cb -0.06 -0.71 -0.01 0.00 -0.13 0.00 0.00 32.58 31.68 3gfg s HIS 222 CO -0.00 -0.47 -0.22 -0.51 -2.47 0.00 0.00 174.74 171.07 3gfg s LEU 223 N 2.10 2.21 -0.22 8.88 1.02 0.60 -0.54 118.68 132.73 3gfg s LEU 223 Ca 0.02 -0.49 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 3gfg s LEU 223 Cb -0.15 -1.43 0.02 0.00 0.02 0.00 0.00 46.19 44.65 3gfg s LEU 223 CO -0.08 0.21 -0.12 -0.89 0.02 0.00 0.00 176.35 175.49 3gfg s THR 224 N 0.07 2.51 -0.26 5.49 2.01 -0.24 -0.58 115.64 124.63 3gfg s THR 224 Ca -0.10 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.75 3gfg s THR 224 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3gfg s THR 224 CO 0.06 0.32 0.28 -0.76 -0.69 0.00 0.00 174.62 173.83 3gfg s LEU 225 N 1.29 4.05 -0.40 4.42 1.02 0.12 -1.80 118.68 127.38 3gfg s LEU 225 Ca 0.01 0.17 -0.22 0.00 0.02 0.00 0.00 54.13 54.11 3gfg s LEU 225 Cb -0.15 -2.27 0.02 0.00 0.02 0.00 0.00 46.19 43.80 3gfg s LEU 225 CO -0.08 -0.09 0.74 -0.62 0.02 0.00 0.00 176.35 176.33 3gfg s ASP 226 N 1.54 6.45 -0.25 2.29 2.15 -0.81 -2.16 116.67 125.89 3gfg s ASP 226 Ca 0.11 0.08 0.09 0.00 0.43 0.00 0.00 52.55 53.26 3gfg s ASP 226 Cb -0.15 -2.37 0.44 0.00 -0.30 0.00 0.00 42.92 40.54 3gfg s ASP 226 CO 0.09 -0.78 1.26 -1.22 -0.17 0.00 0.00 175.17 174.35 3gfg n TYR 227 N 6.44 0.92 0.00 -5.34 4.01 -0.59 0.36 117.16 122.96 3gfg n TYR 227 Ca 0.01 -1.73 0.00 0.00 -0.16 0.00 0.00 57.90 56.02 3gfg n TYR 227 Cb 0.48 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.83 0.37 2.72 0.00 -1.26 -2.96 105.19 103.88 3gfg n GLY 228 Ca 0.28 -0.61 0.14 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 0.46 -6.50 1.61 3.64 -1.98 -3.39 116.57 110.41 3gfg h LYS 229 Ca 0.00 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.83 3gfg h LYS 229 Cb 0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3gfg h LYS 229 CO 0.00 0.30 0.34 -1.17 -2.27 0.00 0.00 179.45 176.65 3gfg s LEU 230 N -9.44 4.47 -0.07 5.20 2.96 -1.16 -4.84 118.68 115.80 3gfg s LEU 230 Ca -0.08 1.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3gfg s LEU 230 Cb 0.21 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.36 3gfg s LEU 230 CO 0.77 -0.10 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.42 3gfg s GLN 231 N 0.20 2.22 -0.15 1.98 -1.52 -0.70 -1.54 119.66 120.14 3gfg s GLN 231 Ca 0.47 -0.63 -0.00 0.00 -1.95 0.00 0.00 55.36 53.25 3gfg s GLN 231 Cb -0.22 -1.77 -0.01 0.00 -0.22 0.00 0.00 33.01 30.79 3gfg s GLN 231 CO 0.29 0.13 -0.13 0.00 -0.25 0.00 0.00 175.29 175.33 3gfg s ALA 232 N 0.42 2.60 -0.16 6.09 0.00 -0.92 -1.55 121.76 128.25 3gfg s ALA 232 Ca -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.86 3gfg s ALA 232 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.70 3gfg s ALA 232 CO 0.05 0.06 -0.21 0.42 0.00 0.00 0.00 175.76 176.09 3gfg s ILE 233 N 0.66 2.08 -0.10 0.00 -1.09 0.88 0.11 121.20 123.73 3gfg s ILE 233 Ca -0.07 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 3gfg s ILE 233 Cb -0.15 -1.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.90 3gfg s ILE 233 CO 0.02 0.55 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.38 3gfg s LEU 234 N 0.99 1.65 0.22 2.97 1.43 0.25 -0.74 118.68 125.45 3gfg s LEU 234 Ca -0.02 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 3gfg s LEU 234 Cb -0.15 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3gfg s LEU 234 CO -0.06 0.01 0.45 -0.72 0.23 0.00 0.00 176.35 176.26 3gfg s TYR 235 N 0.95 0.26 -0.30 0.29 -0.85 -0.51 -0.29 117.35 116.89 3gfg s TYR 235 Ca -0.08 -0.62 -0.17 0.00 -0.52 0.00 0.00 57.07 55.68 3gfg s TYR 235 Cb -0.15 0.19 0.21 0.00 0.38 0.00 0.00 41.96 42.58 3gfg s TYR 235 CO -0.00 -0.92 1.28 0.20 -1.52 0.00 0.00 175.55 174.58 3gfg s GLY 236 N -2.97 0.60 0.52 5.49 0.00 -0.78 -0.48 107.32 109.71 3gfg s GLY 236 Ca 0.18 3.81 0.03 0.00 0.00 0.00 0.00 44.72 48.74 3gfg s GLY 236 CO 0.04 2.69 0.17 -0.32 0.00 0.00 0.00 173.10 175.69 3gfg s GLY 237 N 0.94 2.73 0.00 0.20 0.00 -1.26 -1.35 107.32 108.58 3gfg s GLY 237 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3gfg s GLY 237 CO -0.10 -2.08 0.35 1.44 0.00 0.00 0.00 173.10 172.71 3gfg n SER 238 N -1.47 0.70 -2.81 1.64 7.64 -1.07 -1.78 113.62 116.47 3gfg n SER 238 Ca -0.11 -0.88 -0.25 0.00 1.01 0.00 0.00 58.87 58.63 3gfg n SER 238 Cb 0.66 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.19 2.49 -3.87 0.44 5.41 -1.21 0.02 119.36 122.45 3gfg n ILE 239 Ca 0.00 -5.19 -0.34 0.00 1.00 0.00 0.00 62.75 58.22 3gfg n ILE 239 Cb 0.02 -1.16 -0.13 0.00 -0.71 0.00 0.00 39.64 37.66 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 -4.56 2.92 0.40 1.39 1.01 -0.69 -5.00 120.40 115.86 3gfg s VAL 240 Ca 0.47 -2.17 0.06 0.00 0.00 0.00 0.00 61.98 60.34 3gfg s VAL 240 Cb 0.33 -3.05 0.26 0.00 0.00 0.00 0.00 36.38 33.92 3gfg s VAL 240 CO -0.14 -0.66 2.05 -0.65 0.00 0.00 0.00 175.10 175.70 3gfg h PRO 241 N 7.88 0.58 -3.61 2.72 0.11 -1.94 -3.29 132.00 134.45 3gfg h PRO 241 Ca -0.10 -0.04 -0.34 0.00 0.11 0.00 0.00 66.00 65.64 3gfg h PRO 241 Cb 1.04 -0.13 -0.35 0.00 0.11 0.00 0.00 31.00 31.67 3gfg h PRO 241 CO 0.63 0.39 -0.74 0.00 -0.21 0.00 0.00 178.00 178.07 3gfg s ALA 242 N -5.51 0.24 0.12 -0.75 0.00 -1.26 -4.95 121.76 109.65 3gfg s ALA 242 Ca -0.08 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3gfg s ALA 242 Cb 0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 3gfg s ALA 242 CO 0.74 -0.15 0.94 -0.80 0.00 0.00 0.00 175.76 176.49 3gfg s ASN 243 N 1.20 7.49 0.00 0.00 0.01 -1.26 -5.06 114.94 117.32 3gfg s ASN 243 Ca -0.07 1.78 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 3gfg s ASN 243 Cb -0.13 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.95 3gfg s ASN 243 CO -0.02 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.14 3gfg n GLY 244 N 2.18 -1.56 3.77 0.66 0.00 -1.26 -4.99 105.19 103.99 3gfg n GLY 244 Ca 0.01 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 4.50 0.13 1.61 0.02 -1.26 -4.78 135.00 135.21 3gfg s PRO 245 Ca 0.00 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.55 3gfg s PRO 245 Cb 0.00 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 3gfg s PRO 245 CO 0.00 0.12 1.59 -0.09 -0.33 0.00 0.00 177.00 178.29 3gfg h ARG 246 N 3.39 0.69 -6.12 5.54 2.43 -1.06 -3.39 114.38 115.86 3gfg h ARG 246 Ca -0.47 -0.20 -0.69 0.00 -0.81 0.00 0.00 59.98 57.81 3gfg h ARG 246 Cb 1.21 -0.07 -0.30 0.00 -0.42 0.00 0.00 29.97 30.39 3gfg h ARG 246 CO 0.65 0.75 -0.86 0.71 -1.51 0.00 0.00 179.97 179.71 3gfg s TYR 247 N -5.11 2.48 -0.13 2.20 2.02 -0.79 -1.29 117.35 116.74 3gfg s TYR 247 Ca -0.13 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 55.97 3gfg s TYR 247 Cb 0.10 -1.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3gfg s TYR 247 CO 0.78 -0.13 0.00 -0.65 -1.57 0.00 0.00 175.55 173.99 3gfg s GLN 248 N -0.29 0.79 -0.11 -0.62 -0.21 0.21 -1.17 119.66 118.26 3gfg s GLN 248 Ca 0.01 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.21 3gfg s GLN 248 Cb -0.13 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.38 3gfg s GLN 248 CO 0.02 -0.43 -0.07 0.42 -2.12 0.00 0.00 175.29 173.12 3gfg s ILE 249 N 1.88 0.94 -0.18 1.08 1.01 0.01 -0.49 121.20 125.45 3gfg s ILE 249 Ca 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3gfg s ILE 249 Cb -0.14 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.37 3gfg s ILE 249 CO -0.07 0.35 -0.19 -1.00 0.00 0.00 0.00 174.94 174.03 3gfg s HIS 250 N 1.70 2.72 0.00 3.97 3.76 -0.31 -0.23 115.29 126.90 3gfg s HIS 250 Ca 0.04 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.34 3gfg s HIS 250 Cb -0.13 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3gfg s HIS 250 CO -0.07 -0.80 0.00 0.41 -0.85 0.00 0.00 174.74 173.43 3gfg n GLY 251 N 4.63 4.60 0.19 -2.22 0.00 -0.32 0.41 105.19 112.48 3gfg n GLY 251 Ca -0.21 -2.13 0.06 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.33 116.57 115.60 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 0.36 -0.72 -0.25 -2.00 0.00 0.00 179.45 176.84 3gfg n ASP 253 N -3.47 3.58 -3.60 7.07 10.43 -1.26 -5.03 116.55 124.26 3gfg n ASP 253 Ca 0.00 -0.08 -0.12 0.00 2.57 0.00 0.00 54.79 57.15 3gfg n ASP 253 Cb 0.52 0.88 -0.05 0.00 1.84 0.00 0.00 41.12 44.30 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 -1.59 -0.35 0.09 -2.24 1.04 -1.25 -0.17 113.70 109.22 3gfg s SER 254 Ca 0.00 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.49 3gfg s SER 254 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3gfg s SER 254 CO 0.00 -0.76 -0.19 -0.44 0.98 0.00 0.00 173.24 172.83 3gfg s SER 255 N -2.26 2.34 -0.16 7.02 0.01 -0.56 -1.17 113.70 118.93 3gfg s SER 255 Ca -0.03 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 3gfg s SER 255 Cb -0.00 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.15 3gfg s SER 255 CO -0.05 0.04 -0.03 0.12 0.41 0.00 0.00 173.24 173.72 3gfg s PHE 256 N -1.15 1.50 -0.15 2.43 5.36 0.68 -1.25 117.98 125.41 3gfg s PHE 256 Ca 0.05 -0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 55.04 3gfg s PHE 256 Cb -0.10 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.34 3gfg s PHE 256 CO 0.04 -0.58 -0.07 0.42 -1.46 0.00 0.00 175.22 173.56 3gfg s ILE 257 N 1.70 3.56 -0.13 3.12 -1.09 -0.99 -0.81 121.20 126.56 3gfg s ILE 257 Ca 0.01 -0.48 -0.07 0.00 -2.23 0.00 0.00 60.65 57.88 3gfg s ILE 257 Cb -0.15 -2.54 0.05 0.00 -1.58 0.00 0.00 42.46 38.24 3gfg s ILE 257 CO -0.07 0.50 0.31 -0.75 -1.23 0.00 0.00 174.94 173.69 3gfg s LYS 258 N 0.40 0.28 0.44 2.79 2.20 -0.31 -1.32 119.74 124.22 3gfg s LYS 258 Ca -0.06 0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 56.17 3gfg s LYS 258 Cb -0.15 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.09 3gfg s LYS 258 CO 0.04 -0.16 0.67 0.71 -0.36 0.00 0.00 175.35 176.25 3gfg s TYR 259 N 1.28 3.26 0.00 4.03 2.02 -1.26 -0.52 117.35 126.16 3gfg s TYR 259 Ca -0.09 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 3gfg s TYR 259 Cb -0.09 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 3gfg s TYR 259 CO -0.10 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 173.97 3gfg n GLY 260 N -2.07 0.93 3.30 0.71 0.00 -1.26 -4.81 105.19 102.00 3gfg n GLY 260 Ca 0.01 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.12 1.74 0.47 -0.61 2.07 -1.26 -4.71 121.20 116.78 3gfg s ILE 261 Ca 0.00 -1.70 -0.24 0.00 -1.41 0.00 0.00 60.65 57.29 3gfg s ILE 261 Cb 0.00 -1.67 -0.07 0.00 0.13 0.00 0.00 42.46 40.85 3gfg s ILE 261 CO 0.00 -0.18 1.40 -0.62 -1.91 0.00 0.00 174.94 173.62 3gfg s ASP 262 N -2.24 5.77 0.00 4.50 2.15 -1.26 -4.94 116.67 120.65 3gfg s ASP 262 Ca 0.10 2.85 0.24 0.00 0.43 0.00 0.00 52.55 56.17 3gfg s ASP 262 Cb -0.08 -2.65 0.50 0.00 -0.30 0.00 0.00 42.92 40.39 3gfg s ASP 262 CO 0.05 -1.24 1.43 0.61 -0.17 0.00 0.00 175.17 175.85 3gfg n GLY 263 N 0.62 0.99 0.16 2.66 0.00 -1.26 -4.51 105.19 103.85 3gfg n GLY 263 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 3.83 0.42 -0.31 1.61 4.20 -1.92 -2.01 115.11 120.93 3gfg h GLN 264 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3gfg h GLN 264 Cb 0.83 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3gfg h GLN 264 CO 0.00 0.27 0.00 0.93 -0.67 0.00 0.00 178.83 179.37 3gfg h GLU 265 N 0.43 0.46 -0.24 1.46 5.08 -2.00 -0.51 114.58 119.26 3gfg h GLU 265 Ca 0.14 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 3gfg h GLU 265 Cb -0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3gfg h GLU 265 CO -0.06 0.49 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.51 3gfg h ASP 266 N 0.45 0.71 -0.43 1.42 3.32 -1.84 -2.30 116.42 117.74 3gfg h ASP 266 Ca 0.10 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3gfg h ASP 266 Cb 0.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3gfg h ASP 266 CO 0.01 1.08 -0.01 0.00 -1.72 0.00 0.00 179.24 178.60 3gfg h ALA 267 N 0.94 0.59 -0.16 3.45 0.00 -0.59 -0.08 119.26 123.41 3gfg h ALA 267 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gfg h ALA 267 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3gfg h ALA 267 CO 0.10 0.38 0.10 -0.07 0.00 0.00 0.00 179.25 179.76 3gfg h LEU 268 N 0.61 0.19 -1.53 0.00 3.38 -1.16 -1.47 115.31 115.33 3gfg h LEU 268 Ca 0.12 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.22 3gfg h LEU 268 Cb 0.50 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3gfg h LEU 268 CO 0.02 0.17 0.53 0.03 0.09 0.00 0.00 178.44 179.28 3gfg h ARG 269 N 0.19 0.44 0.00 1.13 3.08 -1.22 -0.45 114.38 117.55 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 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gfg h ARG 269 CO -0.01 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.18 3gfg n ALA 270 N -2.51 2.62 -0.90 0.04 0.00 -0.06 -4.88 120.51 114.82 3gfg n ALA 270 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gfg n ALA 270 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.04 0.50 3.85 0.00 0.00 -0.18 -5.05 105.19 105.35 3gfg n GLY 271 Ca 0.21 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.91 4.03 0.21 1.61 0.52 -0.60 -5.02 118.95 118.79 3gfg s ARG 272 Ca 0.00 0.70 0.12 0.00 -0.52 0.00 0.00 55.73 56.03 3gfg s ARG 272 Cb 0.00 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 3gfg s ARG 272 CO 0.00 0.16 -0.23 0.15 0.02 0.00 0.00 175.30 175.41 3gfg s LYS 273 N -2.93 1.57 -0.23 3.54 1.02 -1.26 -4.19 119.74 117.26 3gfg s LYS 273 Ca 0.54 -1.58 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 3gfg s LYS 273 Cb -0.11 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3gfg s LYS 273 CO 0.17 0.38 1.72 -2.14 -0.92 0.00 0.00 175.35 174.57 3gfg s PRO 274 N -2.89 3.67 0.00 -1.68 0.02 -1.26 -4.77 135.00 128.09 3gfg s PRO 274 Ca 0.23 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3gfg s PRO 274 Cb -0.07 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.34 3gfg s PRO 274 CO 0.11 -1.45 0.00 0.39 -0.33 0.00 0.00 177.00 175.72 3gfg n GLU 275 N 7.90 1.06 -0.84 5.54 1.02 -1.26 -4.99 120.64 129.07 3gfg n GLU 275 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3gfg n GLU 275 Cb 0.45 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 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 -1.22 0.00 0.21 1.62 3.85 -1.26 -5.05 116.55 114.70 3gfg n ASP 276 Ca 0.00 -0.42 0.10 0.00 -0.71 0.00 0.00 54.79 53.76 3gfg n ASP 276 Cb 0.17 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.20 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 0.00 0.00 0.67 -1.12 3.32 -2.02 -3.25 116.42 114.02 3gfg h ASP 277 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gfg h ASP 277 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gfg h ASP 277 CO 0.00 0.15 0.00 -1.54 -1.72 0.00 0.00 179.24 176.13 3gfg n SER 278 N -3.17 0.14 -4.76 6.45 3.41 -1.26 -4.82 113.62 109.61 3gfg n SER 278 Ca 0.02 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 3gfg n SER 278 Cb 0.53 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3gfg n SER 278 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3gfg s TRP 279 N -3.05 3.01 0.00 7.33 -0.11 -1.23 -3.30 118.94 121.58 3gfg s TRP 279 Ca 0.08 1.26 0.00 0.00 1.22 0.00 0.00 56.10 58.66 3gfg s TRP 279 Cb 0.11 -3.75 0.00 0.00 -1.50 0.00 0.00 33.47 28.33 3gfg s TRP 279 CO 0.35 -2.21 0.00 0.41 -4.62 0.00 0.00 176.95 170.88 3gfg n GLY 280 N 1.30 1.00 3.73 5.86 0.00 -1.26 -4.39 105.19 111.42 3gfg n GLY 280 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 0.78 1.49 -1.95 4.61 0.00 -1.21 -0.68 120.51 123.56 3gfg n ALA 281 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 3gfg n ALA 281 Cb 0.00 -2.33 0.07 0.00 0.00 0.00 0.00 19.45 17.19 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 -0.82 4.86 -0.23 0.00 -1.08 -1.26 -4.72 116.67 113.42 3gfg s ASP 282 Ca 0.69 0.24 -0.10 0.00 -0.52 0.00 0.00 52.55 52.85 3gfg s ASP 282 Cb -0.44 -0.92 -0.05 0.00 -1.46 0.00 0.00 42.92 40.06 3gfg s ASP 282 CO 0.51 -1.52 0.15 -0.69 0.52 0.00 0.00 175.17 174.15 3gfg s VAL 283 N -3.11 5.37 0.40 1.11 1.01 -1.26 -5.01 120.40 118.91 3gfg s VAL 283 Ca 0.60 0.18 0.24 0.00 0.00 0.00 0.00 61.98 63.00 3gfg s VAL 283 Cb -0.10 -3.49 0.42 0.00 0.00 0.00 0.00 36.38 33.21 3gfg s VAL 283 CO 0.43 0.37 1.66 -0.65 0.00 0.00 0.00 175.10 176.90 3gfg h PRO 284 N 7.32 0.19 0.00 2.72 0.11 -1.98 0.80 132.00 141.15 3gfg h PRO 284 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3gfg h PRO 284 Cb 1.17 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gfg h PRO 284 CO 0.68 0.12 -0.05 1.49 -0.21 0.00 0.00 178.00 180.04 3gfg h GLU 285 N 0.19 0.00 -0.39 1.05 4.81 -2.03 -2.98 114.58 115.24 3gfg h GLU 285 Ca 0.76 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.99 3gfg h GLU 285 Cb 2.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.52 3gfg h GLU 285 CO -0.47 0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.05 3gfg n PHE 286 N -4.05 0.50 -1.82 0.92 3.72 0.28 -4.96 117.46 112.05 3gfg n PHE 286 Ca -0.03 -0.29 -0.39 0.00 -0.05 0.00 0.00 57.45 56.69 3gfg n PHE 286 Cb 0.13 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.30 2.44 0.72 1.38 2.02 -1.13 -4.44 117.35 117.05 3gfg s TYR 287 Ca 0.35 1.31 -0.11 0.00 -0.37 0.00 0.00 57.07 58.25 3gfg s TYR 287 Cb 0.20 -3.86 0.02 0.00 -0.40 0.00 0.00 41.96 37.93 3gfg s TYR 287 CO 0.28 -2.84 1.08 0.20 -1.57 0.00 0.00 175.55 172.70 3gfg s GLY 288 N -0.66 1.64 -0.19 0.71 0.00 -1.22 -4.77 107.32 102.82 3gfg s GLY 288 Ca 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 3gfg s GLY 288 CO 0.53 0.21 -0.09 0.54 0.00 0.00 0.00 173.10 174.28 3gfg s LYS 289 N -5.19 3.29 -0.31 2.90 1.02 -0.43 -0.26 119.74 120.76 3gfg s LYS 289 Ca 0.59 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 3gfg s LYS 289 Cb -0.13 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3gfg s LYS 289 CO 0.54 -0.12 0.20 -1.17 -0.92 0.00 0.00 175.35 173.88 3gfg s LEU 290 N 1.21 4.26 -0.37 3.17 2.96 0.10 -2.35 118.68 127.66 3gfg s LEU 290 Ca 0.02 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3gfg s LEU 290 Cb -0.14 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.50 3gfg s LEU 290 CO -0.04 -0.17 0.17 -0.89 -1.32 0.00 0.00 176.35 174.10 3gfg s THR 291 N 1.70 4.14 -0.20 3.68 2.01 -0.38 -0.28 115.64 126.31 3gfg s THR 291 Ca 0.06 -1.10 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 3gfg s THR 291 Cb -0.17 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3gfg s THR 291 CO 0.09 -0.27 0.04 -0.89 -0.69 0.00 0.00 174.62 172.91 3gfg s THR 292 N 1.46 4.39 -0.25 -0.82 2.01 -0.37 -1.49 115.64 120.56 3gfg s THR 292 Ca 0.01 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 3gfg s THR 292 Cb -0.20 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 3gfg s THR 292 CO 0.04 0.43 0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 3gfg s ILE 293 N 0.81 4.19 -0.25 1.82 1.01 0.76 -1.56 121.20 127.98 3gfg s ILE 293 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3gfg s ILE 293 Cb -0.14 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.41 3gfg s ILE 293 CO 0.02 0.31 -0.04 -0.13 0.00 0.00 0.00 174.94 175.10 3gfg s ARG 294 N 1.59 1.60 6.79 2.79 0.52 -0.23 -4.87 118.95 127.15 3gfg s ARG 294 Ca 0.06 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 3gfg s ARG 294 Cb -0.15 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3gfg s ARG 294 CO 0.03 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.10 3gfg n GLY 295 N 4.62 1.57 1.17 -3.53 0.00 -1.26 -1.99 105.19 105.77 3gfg n GLY 295 Ca -0.10 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.53 3gfg n GLY 295 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gfg n SER 296 N 6.47 4.09 -4.64 1.61 3.41 -1.26 -4.92 113.62 118.38 3gfg n SER 296 Ca 0.00 -2.50 -0.41 0.00 -0.26 0.00 0.00 58.87 55.70 3gfg n SER 296 Cb 0.00 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 3gfg n SER 296 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gfg s ASP 297 N -1.21 6.72 -0.29 4.04 2.15 -0.84 -5.04 116.67 122.20 3gfg s ASP 297 Ca 0.42 0.89 -0.04 0.00 0.43 0.00 0.00 52.55 54.25 3gfg s ASP 297 Cb 0.28 -2.39 0.03 0.00 -0.30 0.00 0.00 42.92 40.54 3gfg s ASP 297 CO 0.18 -0.44 0.02 -0.75 -0.17 0.00 0.00 175.17 174.01 3gfg s LYS 298 N 2.62 2.74 -0.09 4.34 2.20 -1.26 -1.06 119.74 129.23 3gfg s LYS 298 Ca 0.31 -1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 3gfg s LYS 298 Cb -0.15 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3gfg s LYS 298 CO 0.08 -0.52 -0.05 0.21 -0.36 0.00 0.00 175.35 174.71 3gfg s LYS 299 N 1.36 2.98 -0.15 4.03 2.20 -0.60 -4.98 119.74 124.57 3gfg s LYS 299 Ca -0.01 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 3gfg s LYS 299 Cb -0.18 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.46 3gfg s LYS 299 CO -0.01 0.58 -0.19 0.99 -0.36 0.00 0.00 175.35 176.37 3gfg s THR 300 N -0.56 2.34 -0.05 3.43 2.01 -1.26 -1.24 115.64 120.31 3gfg s THR 300 Ca 0.09 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3gfg s THR 300 Cb -0.12 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 3gfg s THR 300 CO 0.02 0.53 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.66 3gfg s GLU 301 N 0.88 2.45 0.05 4.92 2.02 0.61 -4.96 118.70 124.68 3gfg s GLU 301 Ca -0.05 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 53.80 3gfg s GLU 301 Cb -0.15 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 3gfg s GLU 301 CO -0.02 0.49 1.22 0.99 0.02 0.00 0.00 175.26 177.96 3gfg s THR 302 N -0.43 4.00 -0.34 3.63 2.01 -1.26 0.02 115.64 123.28 3gfg s THR 302 Ca 0.04 1.42 -0.05 0.00 0.31 0.00 0.00 61.69 63.42 3gfg s THR 302 Cb -0.12 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.52 3gfg s THR 302 CO 0.01 0.09 0.09 -0.63 -0.69 0.00 0.00 174.62 173.50 3gfg s ILE 303 N 1.24 3.60 0.12 1.82 -1.09 0.63 -4.94 121.20 122.60 3gfg s ILE 303 Ca 0.59 -1.23 -0.33 0.00 -2.23 0.00 0.00 60.65 57.45 3gfg s ILE 303 Cb -0.29 -3.07 -0.12 0.00 -1.58 0.00 0.00 42.46 37.40 3gfg s ILE 303 CO 0.28 -0.19 1.73 -2.65 -1.23 0.00 0.00 174.94 172.89 3gfg n PRO 304 N 4.77 2.49 -2.22 2.79 -0.02 -1.26 -3.46 135.00 138.09 3gfg n PRO 304 Ca -0.12 0.90 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 3gfg n PRO 304 Cb 0.44 -2.74 -0.00 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 1.99 6.08 0.14 2.55 0.01 -1.26 -4.99 113.70 118.22 3gfg s SER 305 Ca 0.81 2.34 -0.30 0.00 1.31 0.00 0.00 55.95 60.10 3gfg s SER 305 Cb -0.58 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 62.97 3gfg s SER 305 CO 0.38 -0.98 1.26 -0.69 0.41 0.00 0.00 173.24 173.63 3gfg s VAL 306 N -1.53 3.55 0.28 3.43 1.01 -1.26 -4.79 120.40 121.09 3gfg s VAL 306 Ca 0.65 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 3gfg s VAL 306 Cb -0.29 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 3gfg s VAL 306 CO 0.35 0.15 0.95 0.59 0.00 0.00 0.00 175.10 177.14 3gfg n ASN 307 N 3.17 1.01 -4.76 3.32 4.13 -1.26 -4.35 115.26 116.51 3gfg n ASN 307 Ca 0.07 1.17 -0.39 0.00 1.68 0.00 0.00 54.58 57.11 3gfg n ASN 307 Cb 0.44 -1.25 0.02 0.00 -1.54 0.00 0.00 39.78 37.45 3gfg n ASN 307 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gfg s GLY 308 N -0.61 2.90 -0.36 7.41 0.00 0.15 -4.64 107.32 112.17 3gfg s GLY 308 Ca 0.59 1.35 0.14 0.00 0.00 0.00 0.00 44.72 46.80 3gfg s GLY 308 CO 0.60 1.92 0.92 -1.26 0.00 0.00 0.00 173.10 175.27 3gfg n SER 309 N -0.37 0.56 -0.30 1.64 2.88 -0.42 -4.23 113.62 113.38 3gfg n SER 309 Ca 0.06 -2.89 0.24 0.00 -1.33 0.00 0.00 58.87 54.96 3gfg n SER 309 Cb 0.43 -0.20 0.55 0.00 -0.75 0.00 0.00 64.21 64.24 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 0.53 -0.95 0.66 -1.99 -1.89 -0.23 116.97 116.00 3gfg h TYR 310 Ca -0.04 0.02 0.25 0.00 2.00 0.00 0.00 58.73 60.95 3gfg h TYR 310 Cb 1.10 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.62 3gfg h TYR 310 CO 0.43 0.06 0.65 -0.07 -0.00 0.00 0.00 178.16 179.24 3gfg h LEU 311 N 0.33 0.23 -1.00 3.88 3.38 -1.96 -2.22 115.31 117.95 3gfg h LEU 311 Ca 0.56 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.65 3gfg h LEU 311 Cb 1.56 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 3gfg h LEU 311 CO -0.23 0.07 0.64 0.74 0.09 0.00 0.00 178.44 179.75 3gfg h THR 312 N 0.22 1.04 -0.06 0.22 2.02 -1.46 0.74 112.91 115.62 3gfg h THR 312 Ca 0.48 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3gfg h THR 312 Cb 1.53 -0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3gfg h THR 312 CO -0.12 0.20 -0.16 0.22 0.37 0.00 0.00 175.52 176.03 3gfg h TYR 313 N 1.12 -0.41 0.00 3.16 3.20 -1.56 0.23 116.97 122.70 3gfg h TYR 313 Ca 0.45 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.19 3gfg h TYR 313 Cb 0.26 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3gfg h TYR 313 CO -0.00 -0.23 -0.70 1.88 -1.64 0.00 0.00 178.16 177.46 3gfg h TYR 314 N -0.23 0.00 -0.82 -3.82 0.05 -1.53 -1.74 116.97 108.88 3gfg h TYR 314 Ca 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3gfg h TYR 314 Cb 0.33 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 3gfg h TYR 314 CO -0.24 0.70 0.40 0.00 -1.05 0.00 0.00 178.16 177.97 3gfg h ARG 315 N 0.00 1.16 -0.15 4.88 3.08 -0.56 -2.07 114.38 120.73 3gfg h ARG 315 Ca -0.01 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 3gfg h ARG 315 Cb 1.50 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3gfg h ARG 315 CO 0.09 0.88 -0.46 0.87 -1.07 0.00 0.00 179.97 180.29 3gfg h LYS 316 N 1.16 0.37 -0.60 0.04 1.79 -0.22 -1.94 116.57 117.16 3gfg h LYS 316 Ca 0.28 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 3gfg h LYS 316 Cb 0.09 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3gfg h LYS 316 CO -0.04 0.76 0.11 0.82 -1.08 0.00 0.00 179.45 180.02 3gfg h ILE 317 N 0.30 1.26 -0.03 1.86 1.08 -1.21 -1.58 117.51 119.18 3gfg h ILE 317 Ca 0.02 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.55 3gfg h ILE 317 Cb 0.93 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 3gfg h ILE 317 CO 0.08 0.36 -0.16 0.00 -0.69 0.00 0.00 178.15 177.74 3gfg h ALA 318 N 1.02 -0.16 -0.05 1.87 0.00 -1.04 0.29 119.26 121.20 3gfg h ALA 318 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gfg h ALA 318 Cb 0.40 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gfg h ALA 318 CO 0.01 -0.64 0.03 0.93 0.00 0.00 0.00 179.25 179.58 3gfg h GLU 319 N -0.24 0.06 0.09 0.00 5.08 -1.18 0.31 114.58 118.69 3gfg h GLU 319 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gfg h GLU 319 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gfg h GLU 319 CO -0.17 0.04 -0.04 0.77 -1.00 0.00 0.00 179.01 178.60 3gfg h SER 320 N 0.06 -0.10 -0.82 1.42 0.02 -0.66 0.25 113.55 113.72 3gfg h SER 320 Ca 0.02 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3gfg h SER 320 Cb -0.00 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3gfg h SER 320 CO -0.00 0.46 0.51 0.40 -1.14 0.00 0.00 176.83 177.05 3gfg h ILE 321 N -0.71 1.23 0.11 3.27 2.04 -0.64 -1.67 117.51 121.13 3gfg h ILE 321 Ca -0.01 -0.48 -0.32 0.00 1.00 0.00 0.00 64.86 65.05 3gfg h ILE 321 Cb 0.56 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3gfg h ILE 321 CO 0.02 0.23 -1.67 0.03 0.00 0.00 0.00 178.15 176.76 3gfg h ARG 322 N 1.13 0.24 0.00 2.37 2.47 -1.04 -3.41 114.38 116.14 3gfg h ARG 322 Ca 0.30 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3gfg h ARG 322 Cb -0.06 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3gfg h ARG 322 CO -0.06 1.20 -0.02 0.39 0.56 0.00 0.00 179.97 182.04 3gfg n GLU 323 N -3.78 1.30 -1.99 0.04 1.02 0.05 -4.99 120.64 112.30 3gfg n GLU 323 Ca -0.29 -2.45 -0.12 0.00 -0.02 0.00 0.00 57.16 54.28 3gfg n GLU 323 Cb 0.95 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 324 N -1.32 0.20 3.72 0.62 0.00 -0.63 -4.91 105.19 102.87 3gfg n GLY 324 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 1.83 0.56 4.61 0.00 -1.06 -4.92 121.76 120.41 3gfg s ALA 325 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 3gfg s ALA 325 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3gfg s ALA 325 CO 0.00 -2.21 1.30 0.00 0.00 0.00 0.00 175.76 174.86 3gfg s ALA 326 N -2.82 2.71 0.53 0.00 0.00 -1.26 -4.32 121.76 116.59 3gfg s ALA 326 Ca 0.63 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 53.61 3gfg s ALA 326 Cb -0.19 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 3gfg s ALA 326 CO 0.57 -1.31 1.15 -0.51 0.00 0.00 0.00 175.76 175.66 3gfg s LEU 327 N -3.72 3.81 0.32 0.00 1.43 -1.26 -4.77 118.68 114.49 3gfg s LEU 327 Ca 0.74 2.25 0.10 0.00 -1.03 0.00 0.00 54.13 56.19 3gfg s LEU 327 Cb -0.37 -4.48 0.55 0.00 0.03 0.00 0.00 46.19 41.91 3gfg s LEU 327 CO 0.43 -1.19 1.74 1.55 0.23 0.00 0.00 176.35 179.10 3gfg h PRO 328 N 1.40 0.11 -3.15 1.29 0.13 -1.88 -3.42 132.00 126.48 3gfg h PRO 328 Ca -0.50 -0.05 -0.27 0.00 -0.87 0.00 0.00 66.00 64.31 3gfg h PRO 328 Cb 1.26 -0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.05 3gfg h PRO 328 CO 0.58 0.52 -0.61 0.08 -0.23 0.00 0.00 178.00 178.33 3gfg s VAL 329 N -4.09 -0.17 0.45 1.56 1.01 -1.26 -5.10 120.40 112.80 3gfg s VAL 329 Ca -0.03 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 3gfg s VAL 329 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3gfg s VAL 329 CO 0.75 0.11 0.70 0.42 0.00 0.00 0.00 175.10 177.09 3gfg s THR 330 N 1.80 4.41 0.12 3.92 -4.23 -1.26 -4.08 115.64 116.32 3gfg s THR 330 Ca -0.02 -0.26 -0.20 0.00 -1.18 0.00 0.00 61.69 60.02 3gfg s THR 330 Cb -0.12 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 3gfg s THR 330 CO -0.06 -0.52 1.75 0.00 -0.54 0.00 0.00 174.62 175.25 3gfg h ALA 331 N 0.36 0.19 -0.95 3.99 0.00 -1.93 -2.20 119.26 118.72 3gfg h ALA 331 Ca -0.47 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3gfg h ALA 331 Cb 1.23 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3gfg h ALA 331 CO 0.60 -0.37 0.60 1.49 0.00 0.00 0.00 179.25 181.57 3gfg h GLU 332 N 0.15 1.00 -0.34 0.00 4.57 -1.95 0.29 114.58 118.31 3gfg h GLU 332 Ca 0.07 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3gfg h GLU 332 Cb 0.04 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3gfg h GLU 332 CO -0.07 0.66 0.17 0.93 -1.18 0.00 0.00 179.01 179.52 3gfg h GLU 333 N 1.03 0.34 -0.51 1.92 5.08 -1.86 0.76 114.58 121.34 3gfg h GLU 333 Ca 0.44 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.81 3gfg h GLU 333 Cb 0.28 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3gfg h GLU 333 CO -0.21 0.22 0.28 0.78 -1.00 0.00 0.00 179.01 179.09 3gfg h GLY 334 N 0.35 0.72 1.68 -3.84 0.00 -0.63 -2.65 103.07 98.70 3gfg h GLY 334 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3gfg h GLY 334 CO -0.10 0.15 -0.20 -2.22 0.00 0.00 0.00 176.54 174.17 3gfg h ILE 335 N 0.56 1.24 -0.26 2.60 2.04 0.20 -2.71 117.51 121.17 3gfg h ILE 335 Ca 0.22 -1.10 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 3gfg h ILE 335 Cb 0.08 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3gfg h ILE 335 CO -0.13 0.35 -0.27 0.78 0.00 0.00 0.00 178.15 178.88 3gfg h ASN 336 N 0.35 0.53 -0.86 1.72 2.35 -0.53 -0.93 115.58 118.21 3gfg h ASN 336 Ca 0.06 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3gfg h ASN 336 Cb 0.56 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3gfg h ASN 336 CO 0.04 0.78 0.56 0.58 -1.65 0.00 0.00 177.43 177.74 3gfg h VAL 337 N 0.45 1.22 -0.27 2.81 2.07 -1.20 -2.11 116.25 119.23 3gfg h VAL 337 Ca 0.06 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 3gfg h VAL 337 Cb 0.71 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3gfg h VAL 337 CO 0.05 0.22 -0.41 0.40 0.02 0.00 0.00 177.57 177.86 3gfg h ILE 338 N 1.16 1.29 -0.22 4.57 1.08 -1.28 -1.81 117.51 122.31 3gfg h ILE 338 Ca 0.31 -1.58 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 3gfg h ILE 338 Cb -0.12 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3gfg h ILE 338 CO -0.07 0.51 -0.00 0.03 -0.69 0.00 0.00 178.15 177.93 3gfg h ARG 339 N 0.54 0.07 -0.59 2.37 3.08 -0.82 0.12 114.38 119.15 3gfg h ARG 339 Ca 0.04 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3gfg h ARG 339 Cb 0.93 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3gfg h ARG 339 CO 0.08 0.05 0.34 0.82 -1.07 0.00 0.00 179.97 180.19 3gfg h ILE 340 N 0.07 1.02 -0.94 2.04 1.08 -1.25 -0.44 117.51 119.09 3gfg h ILE 340 Ca 0.10 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3gfg h ILE 340 Cb 0.13 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.14 3gfg h ILE 340 CO -0.18 0.12 0.63 0.40 -0.69 0.00 0.00 178.15 178.43 3gfg h ILE 341 N 0.65 1.24 -0.12 -0.67 2.04 -0.64 0.20 117.51 120.21 3gfg h ILE 341 Ca 0.25 -0.44 -0.20 0.00 1.00 0.00 0.00 64.86 65.47 3gfg h ILE 341 Cb 0.08 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.03 3gfg h ILE 341 CO -0.13 0.23 -0.71 -0.33 0.00 0.00 0.00 178.15 177.22 3gfg h GLU 342 N 1.28 0.70 -0.16 2.37 5.08 -0.39 -1.84 114.58 121.61 3gfg h GLU 342 Ca 0.35 -0.58 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3gfg h GLU 342 Cb -0.14 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3gfg h GLU 342 CO -0.08 1.20 -0.04 0.00 -1.00 0.00 0.00 179.01 179.09 3gfg h ALA 343 N 0.51 0.11 -0.10 3.43 0.00 -0.91 -1.00 119.26 121.30 3gfg h ALA 343 Ca -0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gfg h ALA 343 Cb 1.35 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 3gfg h ALA 343 CO 0.15 -0.48 -0.41 0.00 0.00 0.00 0.00 179.25 178.51 3gfg h ALA 344 N 1.16 -0.58 -1.00 0.00 0.00 -0.51 0.25 119.26 118.58 3gfg h ALA 344 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3gfg h ALA 344 Cb 0.12 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3gfg h ALA 344 CO -0.17 -0.92 0.64 0.52 0.00 0.00 0.00 179.25 179.33 3gfg h MET 345 N -0.50 1.11 -0.15 0.00 2.07 -1.11 -0.84 114.93 115.51 3gfg h MET 345 Ca 0.07 -0.07 -0.17 0.00 -2.07 0.00 0.00 59.70 57.47 3gfg h MET 345 Cb 0.62 -0.25 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3gfg h MET 345 CO -0.37 0.73 -0.61 1.49 1.07 0.00 0.00 176.91 179.22 3gfg h GLU 346 N 1.14 0.52 -0.83 1.72 4.81 -0.72 -2.09 114.58 119.14 3gfg h GLU 346 Ca 0.44 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3gfg h GLU 346 Cb 0.21 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 3gfg h GLU 346 CO -0.19 0.97 0.52 1.03 -0.73 0.00 0.00 179.01 180.62 3gfg h SER 347 N 0.39 0.85 -0.04 1.04 0.87 0.81 0.12 113.55 117.58 3gfg h SER 347 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 3gfg h SER 347 Cb 1.16 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3gfg h SER 347 CO 0.11 0.57 -0.60 -1.28 -0.53 0.00 0.00 176.83 175.10 3gfg h SER 348 N 0.99 0.72 -0.10 6.23 0.87 -1.11 -0.18 113.55 120.97 3gfg h SER 348 Ca 0.34 -0.41 -0.24 0.00 -1.23 0.00 0.00 61.79 60.25 3gfg h SER 348 Cb 0.06 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3gfg h SER 348 CO -0.13 1.16 -0.86 0.50 -0.53 0.00 0.00 176.83 176.96 3gfg h LYS 349 N 0.48 0.77 -0.01 2.24 3.64 -1.15 -3.31 116.57 119.23 3gfg h LYS 349 Ca -0.00 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 3gfg h LYS 349 Cb 1.17 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3gfg h LYS 349 CO 0.12 1.28 -0.39 0.39 -2.27 0.00 0.00 179.45 178.58 3gfg n GLU 350 N -3.91 0.57 -3.34 1.90 -0.58 0.39 -4.96 120.64 110.70 3gfg n GLU 350 Ca -0.09 -0.36 -0.19 0.00 -0.42 0.00 0.00 57.16 56.11 3gfg n GLU 350 Cb 0.79 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.90 -6.18 -3.46 3.49 4.76 -0.12 -4.99 118.16 110.76 3gfg n LYS 351 Ca 0.10 0.65 -0.12 0.00 -2.87 0.00 0.00 58.31 56.06 3gfg n LYS 351 Cb 0.35 -5.14 -0.03 0.00 -1.84 0.00 0.00 35.03 28.38 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 -6.01 1.23 0.25 1.97 1.70 -0.98 -5.06 118.95 112.05 3gfg s ARG 352 Ca 0.45 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.92 3gfg s ARG 352 Cb -0.20 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 3gfg s ARG 352 CO 0.56 -0.53 1.41 0.99 -1.08 0.00 0.00 175.30 176.66 3gfg s THR 353 N -3.68 2.73 -0.32 4.99 2.01 -1.26 -4.38 115.64 115.73 3gfg s THR 353 Ca 0.01 0.63 -0.09 0.00 0.31 0.00 0.00 61.69 62.55 3gfg s THR 353 Cb -0.00 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.11 3gfg s THR 353 CO -0.12 0.10 0.13 -0.63 -0.69 0.00 0.00 174.62 173.42 3gfg s ILE 354 N -0.11 4.33 0.28 1.82 -1.09 -0.22 -4.96 121.20 121.26 3gfg s ILE 354 Ca 0.58 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 58.08 3gfg s ILE 354 Cb -0.41 -3.27 -0.10 0.00 -1.58 0.00 0.00 42.46 37.11 3gfg s ILE 354 CO 0.44 0.01 1.29 -0.04 -1.23 0.00 0.00 174.94 175.41 3gfg s MET 355 N 1.55 4.39 0.00 2.79 -1.94 -1.26 -1.27 119.30 123.57 3gfg s MET 355 Ca 0.03 2.13 -0.20 0.00 -1.71 0.00 0.00 55.69 55.94 3gfg s MET 355 Cb -0.18 -3.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.49 3gfg s MET 355 CO 0.05 -0.17 0.58 -0.51 -0.01 0.00 0.00 175.02 174.95 3gfg s LEU 356 N -1.18 4.43 0.00 -0.03 1.43 0.20 -4.95 118.68 118.57 3gfg s LEU 356 Ca 0.51 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3gfg s LEU 356 Cb -0.38 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3gfg s LEU 356 CO 0.47 0.13 0.00 1.21 0.23 0.00 0.00 176.35 178.38