#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg n ARG 8 N 0.00 1.18 -4.04 1.61 1.74 -1.26 -5.00 116.66 110.88 3gfg n ARG 8 Ca 0.00 0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 57.40 3gfg n ARG 8 Cb 0.00 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 3gfg n ARG 8 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gfg s ARG 9 N -0.95 1.40 -0.01 5.56 3.00 -1.26 -5.12 118.95 121.56 3gfg s ARG 9 Ca 0.66 -1.33 -0.38 0.00 0.00 0.00 0.00 55.73 54.68 3gfg s ARG 9 Cb -0.79 0.41 -0.17 0.00 0.00 0.00 0.00 34.95 34.40 3gfg s ARG 9 CO 0.56 -0.54 1.41 1.17 0.00 0.00 0.00 175.30 177.90 3gfg n LYS 10 N -0.33 1.05 -2.70 3.54 3.00 -1.26 -4.91 118.16 116.56 3gfg n LYS 10 Ca -0.02 0.38 -0.42 0.00 -0.00 0.00 0.00 58.31 58.25 3gfg n LYS 10 Cb 0.63 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 33.61 3gfg n LYS 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3gfg s VAL 11 N 1.16 4.06 0.62 3.15 -7.23 -1.26 -5.04 120.40 115.86 3gfg s VAL 11 Ca 0.88 0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 61.19 3gfg s VAL 11 Cb -1.01 -4.76 -0.00 0.00 0.56 0.00 0.00 36.38 31.17 3gfg s VAL 11 CO 0.52 -1.54 0.97 -1.81 -0.31 0.00 0.00 175.10 172.94 3gfg s ASP 12 N 3.46 5.72 0.67 4.85 -0.00 -1.26 -5.05 116.67 125.05 3gfg s ASP 12 Ca 0.31 0.98 -0.17 0.00 -0.00 0.00 0.00 52.55 53.68 3gfg s ASP 12 Cb -0.11 -1.96 -0.05 0.00 -0.00 0.00 0.00 42.92 40.79 3gfg s ASP 12 CO 0.16 -1.07 0.55 0.35 -0.00 0.00 0.00 175.17 175.16 3gfg n THR 13 N -2.71 2.05 -2.73 -1.27 -2.24 -1.26 -4.95 114.28 101.18 3gfg n THR 13 Ca 0.05 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3gfg n THR 13 Cb 0.57 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 3gfg n THR 13 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gfg s ILE 14 N -1.83 4.80 -0.23 2.28 1.01 0.19 -4.80 121.20 122.62 3gfg s ILE 14 Ca 0.67 1.97 -0.24 0.00 0.00 0.00 0.00 60.65 63.04 3gfg s ILE 14 Cb -0.38 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 37.80 3gfg s ILE 14 CO 0.56 0.01 0.81 -0.54 0.00 0.00 0.00 174.94 175.78 3gfg s LYS 15 N 2.04 4.19 -0.07 2.79 -0.14 -1.26 -0.11 119.74 127.18 3gfg s LYS 15 Ca 0.46 0.91 0.02 0.00 -1.36 0.00 0.00 55.97 56.01 3gfg s LYS 15 Cb -0.18 -3.63 -0.02 0.00 -1.68 0.00 0.00 37.83 32.32 3gfg s LYS 15 CO 0.17 -0.47 -0.14 0.08 -0.76 0.00 0.00 175.35 174.22 3gfg s VAL 16 N 2.68 3.04 -0.10 3.17 1.01 0.35 -0.81 120.40 129.74 3gfg s VAL 16 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3gfg s VAL 16 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3gfg s VAL 16 CO 0.08 0.57 -0.10 -0.83 0.00 0.00 0.00 175.10 174.82 3gfg s GLY 17 N -0.38 1.60 -0.20 4.51 0.00 -0.40 -1.16 107.32 111.29 3gfg s GLY 17 Ca 0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 3gfg s GLY 17 CO 0.02 -0.43 0.01 -0.42 0.00 0.00 0.00 173.10 172.28 3gfg s ILE 18 N -0.20 4.04 -0.31 0.90 1.01 -0.59 -1.19 121.20 124.86 3gfg s ILE 18 Ca 0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3gfg s ILE 18 Cb -0.13 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3gfg s ILE 18 CO 0.03 0.43 0.34 -0.76 0.00 0.00 0.00 174.94 174.98 3gfg s LEU 19 N 0.94 4.28 0.00 2.97 1.43 0.67 -1.16 118.68 127.81 3gfg s LEU 19 Ca 0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3gfg s LEU 19 Cb -0.14 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3gfg s LEU 19 CO 0.02 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.95 3gfg n GLY 20 N 4.90 -0.29 2.68 -3.19 0.00 -0.46 -1.38 105.19 107.45 3gfg n GLY 20 Ca -0.10 -1.38 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 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 0.58 1.53 -0.26 1.61 9.36 -1.26 -4.40 117.16 124.32 3gfg n TYR 21 Ca 0.00 -2.28 0.00 0.00 3.32 0.00 0.00 57.90 58.94 3gfg n TYR 21 Cb 0.00 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.45 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 -0.53 1.18 0.36 2.98 0.00 -1.26 -4.46 105.19 103.46 3gfg n GLY 22 Ca 0.14 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.23 0.45 0.99 5.85 -1.97 -0.97 115.31 118.43 3gfg h LEU 23 Ca 0.00 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3gfg h LEU 23 Cb 0.00 0.58 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3gfg h LEU 23 CO 0.00 -0.32 -0.21 0.28 -0.34 0.00 0.00 178.44 177.84 3gfg h SER 24 N -0.23 -0.51 -0.37 1.25 0.02 -1.93 -0.53 113.55 111.26 3gfg h SER 24 Ca 0.19 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3gfg h SER 24 Cb 0.55 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3gfg h SER 24 CO -0.62 -0.25 0.18 1.23 -1.14 0.00 0.00 176.83 176.22 3gfg h GLY 25 N -0.75 0.49 0.38 -3.77 0.00 -1.72 0.15 103.07 97.85 3gfg h GLY 25 Ca -0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3gfg h GLY 25 CO 0.10 0.09 -1.75 -1.14 0.00 0.00 0.00 176.54 173.83 3gfg n SER 26 N -4.95 0.33 -0.07 0.19 3.41 -0.39 -0.30 113.62 111.86 3gfg n SER 26 Ca 0.01 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 3gfg n SER 26 Cb 0.09 1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 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 -2.54 0.77 -0.01 -3.33 0.31 -0.23 -4.40 118.33 108.91 3gfg n VAL 27 Ca -0.09 -0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 3gfg n VAL 27 Cb 0.71 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 32.59 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 -2.81 0.56 -0.03 3.52 3.72 0.28 -4.49 117.46 118.21 3gfg n PHE 28 Ca -0.23 0.19 -0.06 0.00 -0.05 0.00 0.00 57.45 57.29 3gfg n PHE 28 Cb 0.77 -0.96 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 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 -2.74 0.00 -0.25 1.38 8.25 0.10 -4.67 115.22 117.29 3gfg n HIS 29 Ca -0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.28 3gfg n HIS 29 Cb 0.87 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.79 3gfg n HIS 29 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3gfg h GLY 30 N -0.18 0.05 2.00 -1.41 0.00 -0.87 -1.49 103.07 101.18 3gfg h GLY 30 Ca -0.15 0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3gfg h GLY 30 CO -0.09 -0.22 -0.35 -2.55 0.00 0.00 0.00 176.54 173.33 3gfg h PRO 31 N -0.10 0.00 -0.07 4.80 0.11 -1.79 0.52 132.00 135.47 3gfg h PRO 31 Ca 0.28 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.26 3gfg h PRO 31 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 3gfg h PRO 31 CO -0.75 0.35 -0.46 -0.07 -0.21 0.00 0.00 178.00 176.86 3gfg h LEU 32 N 0.00 0.52 -1.58 2.35 3.38 -1.70 -2.88 115.31 115.41 3gfg h LEU 32 Ca -0.00 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.36 3gfg h LEU 32 Cb 0.73 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3gfg h LEU 32 CO 0.05 1.11 0.37 -0.07 0.09 0.00 0.00 178.44 179.99 3gfg h LEU 33 N -0.03 0.45 -0.63 1.67 3.38 -1.12 -2.81 115.31 116.22 3gfg h LEU 33 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3gfg h LEU 33 Cb 1.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3gfg h LEU 33 CO 0.09 0.29 -0.43 -0.78 0.09 0.00 0.00 178.44 177.71 3gfg h ASP 34 N 0.51 0.63 1.16 -0.43 3.58 -0.73 -3.13 116.42 118.01 3gfg h ASP 34 Ca 0.24 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.40 3gfg h ASP 34 Cb 0.30 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3gfg h ASP 34 CO -0.07 0.98 -0.30 1.33 -2.88 0.00 0.00 179.24 178.30 3gfg n VAL 35 N -4.02 0.45 -2.84 2.25 0.24 -1.10 -4.80 118.33 108.52 3gfg n VAL 35 Ca -0.02 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 3gfg n VAL 35 Cb 0.53 -0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 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 -4.31 4.16 0.56 1.34 1.43 -1.08 -4.96 118.68 115.83 3gfg s LEU 36 Ca 0.09 1.22 0.32 0.00 -1.03 0.00 0.00 54.13 54.73 3gfg s LEU 36 Cb 0.13 -3.30 1.69 0.00 0.03 0.00 0.00 46.19 44.74 3gfg s LEU 36 CO 0.65 -0.45 2.15 0.44 0.23 0.00 0.00 176.35 179.37 3gfg h ASP 37 N 7.36 0.00 0.27 2.29 3.45 -1.87 -2.99 116.42 124.94 3gfg h ASP 37 Ca -0.27 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.18 3gfg h ASP 37 Cb 1.12 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3gfg h ASP 37 CO 0.86 0.06 -0.03 -0.33 -1.57 0.00 0.00 179.24 178.23 3gfg h GLU 38 N 0.00 0.00 -6.74 3.56 3.07 -1.93 -3.45 114.58 109.09 3gfg h GLU 38 Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 3gfg h GLU 38 Cb 0.23 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.87 3gfg h GLU 38 CO 0.01 0.03 -0.88 0.71 -1.40 0.00 0.00 179.01 177.48 3gfg s TYR 39 N -4.15 2.32 -0.07 4.33 2.02 -1.13 0.56 117.35 121.22 3gfg s TYR 39 Ca -0.03 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3gfg s TYR 39 Cb 0.13 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 3gfg s TYR 39 CO 0.50 0.13 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.35 3gfg s GLN 40 N -1.25 1.71 -0.52 -0.62 0.74 0.85 -4.80 119.66 115.77 3gfg s GLN 40 Ca 0.12 -0.41 -0.22 0.00 0.05 0.00 0.00 55.36 54.90 3gfg s GLN 40 Cb -0.10 -1.42 0.05 0.00 1.10 0.00 0.00 33.01 32.63 3gfg s GLN 40 CO 0.02 0.01 0.78 0.42 -0.55 0.00 0.00 175.29 175.97 3gfg s ILE 41 N 0.71 4.64 -0.10 -2.34 1.01 -1.26 -0.49 121.20 123.37 3gfg s ILE 41 Ca -0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3gfg s ILE 41 Cb -0.16 -4.40 -0.28 0.00 0.01 0.00 0.00 42.46 37.64 3gfg s ILE 41 CO 0.03 -0.92 0.50 0.28 0.00 0.00 0.00 174.94 174.83 3gfg h SER 42 N 9.12 0.45 -4.42 3.58 0.02 -1.51 -3.38 113.55 117.43 3gfg h SER 42 Ca -0.27 -0.90 -0.15 0.00 -0.84 0.00 0.00 61.79 59.63 3gfg h SER 42 Cb 1.08 -0.15 -0.23 0.00 0.14 0.00 0.00 62.40 63.25 3gfg h SER 42 CO 1.01 1.77 -0.45 -0.54 -1.14 0.00 0.00 176.83 177.48 3gfg s LYS 43 N -2.54 0.40 -0.04 3.45 1.02 -1.16 -0.74 119.74 120.14 3gfg s LYS 43 Ca -0.20 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 55.76 3gfg s LYS 43 Cb 0.06 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.57 3gfg s LYS 43 CO 0.79 -0.08 -0.02 0.42 -0.92 0.00 0.00 175.35 175.53 3gfg s ILE 44 N -0.66 0.35 -0.46 2.17 1.01 -0.81 -1.54 121.20 121.27 3gfg s ILE 44 Ca -0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 3gfg s ILE 44 Cb -0.04 -0.41 0.03 0.00 0.01 0.00 0.00 42.46 42.05 3gfg s ILE 44 CO 0.01 0.18 0.69 -0.32 0.00 0.00 0.00 174.94 175.51 3gfg s MET 45 N 0.93 3.28 0.05 2.79 -2.45 -0.31 -1.22 119.30 122.37 3gfg s MET 45 Ca -0.11 -0.39 -0.27 0.00 -1.25 0.00 0.00 55.69 53.66 3gfg s MET 45 Cb -0.14 -3.98 0.09 0.00 1.25 0.00 0.00 34.83 32.05 3gfg s MET 45 CO -0.01 -1.11 0.90 -0.08 1.05 0.00 0.00 175.02 175.78 3gfg s THR 46 N 2.98 0.00 -0.45 10.11 -1.32 -0.89 -1.35 115.64 124.72 3gfg s THR 46 Ca 0.23 -0.22 0.23 0.00 -1.21 0.00 0.00 61.69 60.72 3gfg s THR 46 Cb -0.14 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 3gfg s THR 46 CO 0.19 0.00 1.09 -1.54 -2.21 0.00 0.00 174.62 172.14 3gfg n SER 47 N -0.33 0.69 -2.47 8.08 3.41 -1.26 -4.50 113.62 117.24 3gfg n SER 47 Ca -0.08 0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.40 3gfg n SER 47 Cb 0.62 0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.29 2.62 -0.29 4.33 5.12 -1.26 -4.76 116.66 120.14 3gfg n ARG 48 Ca 0.01 -1.59 0.10 0.00 -1.93 0.00 0.00 57.85 54.45 3gfg n ARG 48 Cb 0.49 -2.26 0.26 0.00 -1.16 0.00 0.00 32.46 29.79 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3gfg h THR 49 N 2.29 0.50 -0.13 0.55 2.02 -2.00 -1.83 112.91 114.32 3gfg h THR 49 Ca 0.42 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 3gfg h THR 49 Cb 1.05 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3gfg h THR 49 CO 0.77 0.07 -0.38 -0.33 0.37 0.00 0.00 175.52 176.02 3gfg h GLU 50 N 0.37 0.29 -0.20 6.66 4.39 -1.99 -1.43 114.58 122.67 3gfg h GLU 50 Ca 0.50 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 59.88 3gfg h GLU 50 Cb 0.91 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3gfg h GLU 50 CO -0.51 0.63 -0.65 1.49 -1.16 0.00 0.00 179.01 178.81 3gfg h GLU 51 N 0.24 0.72 0.00 2.33 4.57 -1.74 -1.35 114.58 119.35 3gfg h GLU 51 Ca 0.03 -0.52 -0.08 0.00 -1.18 0.00 0.00 59.36 57.61 3gfg h GLU 51 Cb 0.79 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3gfg h GLU 51 CO 0.06 1.14 -0.39 0.28 -1.18 0.00 0.00 179.01 178.92 3gfg h VAL 52 N 0.53 1.24 -0.52 0.32 2.07 -1.27 -1.10 116.25 117.51 3gfg h VAL 52 Ca -0.01 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 3gfg h VAL 52 Cb 1.25 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3gfg h VAL 52 CO 0.13 0.38 0.23 0.11 0.02 0.00 0.00 177.57 178.44 3gfg h LYS 53 N 0.00 0.77 0.19 1.57 1.79 -0.61 0.15 116.57 120.43 3gfg h LYS 53 Ca -0.00 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 3gfg h LYS 53 Cb 0.71 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3gfg h LYS 53 CO 0.05 0.66 -0.09 0.00 -1.08 0.00 0.00 179.45 178.99 3gfg h ARG 54 N 0.70 -0.25 -0.12 3.15 3.08 -0.77 -3.17 114.38 117.01 3gfg h ARG 54 Ca 0.18 0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.03 3gfg h ARG 54 Cb 0.16 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3gfg h ARG 54 CO -0.02 0.10 -0.78 -0.44 -1.07 0.00 0.00 179.97 177.76 3gfg h ASP 55 N -0.63 0.80 -2.29 7.04 3.32 -1.21 -3.39 116.42 120.05 3gfg h ASP 55 Ca -0.03 -0.53 -0.58 0.00 0.02 0.00 0.00 57.03 55.91 3gfg h ASP 55 Cb 0.46 -0.24 -0.39 0.00 0.22 0.00 0.00 39.33 39.39 3gfg h ASP 55 CO 0.04 1.31 -0.99 0.49 -1.72 0.00 0.00 179.24 178.38 3gfg n PHE 56 N -3.90 -0.45 0.26 4.55 3.72 0.54 -4.98 117.46 117.20 3gfg n PHE 56 Ca -0.07 -3.45 0.10 0.00 -0.05 0.00 0.00 57.45 53.99 3gfg n PHE 56 Cb 0.74 0.03 0.56 0.00 -0.94 0.00 0.00 39.48 39.87 3gfg n PHE 56 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3gfg h PRO 57 N 5.12 0.00 0.00 -1.08 0.11 -1.66 -0.94 132.00 133.55 3gfg h PRO 57 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3gfg h PRO 57 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gfg h PRO 57 CO 0.43 0.00 -1.67 -0.25 -0.21 0.00 0.00 178.00 176.30 3gfg n ASP 58 N -2.49 0.32 -4.78 -2.05 8.00 -1.26 -4.96 116.55 109.33 3gfg n ASP 58 Ca -0.01 -0.29 -0.36 0.00 0.71 0.00 0.00 54.79 54.83 3gfg n ASP 58 Cb 0.40 1.65 -0.02 0.00 -0.02 0.00 0.00 41.12 43.13 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfg s ALA 59 N -3.36 2.96 -0.20 2.24 0.00 -0.36 -4.95 121.76 118.10 3gfg s ALA 59 Ca -0.03 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 3gfg s ALA 59 Cb 0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3gfg s ALA 59 CO 0.89 -0.43 0.32 -2.00 0.00 0.00 0.00 175.76 174.54 3gfg s GLU 60 N -2.80 4.18 -0.07 0.00 2.12 0.09 -4.95 118.70 117.27 3gfg s GLU 60 Ca 0.63 0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.81 3gfg s GLU 60 Cb -0.23 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3gfg s GLU 60 CO 0.28 0.06 0.72 0.08 -0.54 0.00 0.00 175.26 175.86 3gfg s VAL 61 N 1.02 5.03 0.32 3.70 1.01 -1.26 -1.92 120.40 128.30 3gfg s VAL 61 Ca 0.16 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.70 3gfg s VAL 61 Cb -0.14 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 3gfg s VAL 61 CO 0.06 0.23 -0.06 0.68 0.00 0.00 0.00 175.10 176.02 3gfg s VAL 62 N 0.89 1.90 0.00 2.92 -7.23 -0.36 -4.96 120.40 113.56 3gfg s VAL 62 Ca 0.38 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3gfg s VAL 62 Cb -0.18 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3gfg s VAL 62 CO 0.18 -0.20 0.00 1.41 -0.31 0.00 0.00 175.10 176.18 3gfg n HIS 63 N -0.72 0.00 -4.34 2.82 8.25 -1.26 -2.10 115.22 117.87 3gfg n HIS 63 Ca -0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.09 3gfg n HIS 63 Cb 0.64 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.43 2.72 0.45 -0.41 -1.05 -1.26 -4.92 118.70 112.80 3gfg s GLU 64 Ca 0.00 -0.64 0.18 0.00 -0.15 0.00 0.00 54.97 54.36 3gfg s GLU 64 Cb 0.00 -2.62 1.13 0.00 -0.44 0.00 0.00 34.13 32.19 3gfg s GLU 64 CO 0.00 0.62 1.94 1.25 0.95 0.00 0.00 175.26 180.02 3gfg h LEU 65 N 4.42 0.30 -2.78 1.83 5.85 -2.01 -2.64 115.31 120.27 3gfg h LEU 65 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3gfg h LEU 65 Cb 1.17 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gfg h LEU 65 CO 0.56 0.16 0.03 -0.33 -0.34 0.00 0.00 178.44 178.52 3gfg h GLU 66 N 0.32 0.00 0.00 1.25 3.07 -1.98 -1.76 114.58 115.48 3gfg h GLU 66 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3gfg h GLU 66 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3gfg h GLU 66 CO -0.09 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.91 3gfg n GLU 67 N -3.30 0.03 -0.09 2.33 1.02 -1.00 -1.35 120.64 118.28 3gfg n GLU 67 Ca -0.03 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.03 3gfg n GLU 67 Cb 0.10 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.59 1.04 -0.06 -3.67 5.41 -0.70 -4.49 119.36 115.30 3gfg n ILE 68 Ca 0.06 -0.32 -0.10 0.00 1.00 0.00 0.00 62.75 63.38 3gfg n ILE 68 Cb 0.31 -1.51 0.04 0.00 -0.71 0.00 0.00 39.64 37.76 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 -0.41 1.29 -0.39 1.39 1.35 -1.39 -2.55 112.91 112.21 3gfg h THR 69 Ca -0.45 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3gfg h THR 69 Cb 1.51 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3gfg h THR 69 CO -0.20 0.52 0.00 0.59 -0.25 0.00 0.00 175.52 176.18 3gfg n ASN 70 N -4.03 3.88 -4.43 5.36 3.02 -0.45 -4.76 115.26 113.84 3gfg n ASN 70 Ca -0.02 -2.53 -0.44 0.00 -0.03 0.00 0.00 54.58 51.56 3gfg n ASN 70 Cb 0.55 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.56 6.18 0.56 6.41 -1.08 -0.96 -4.96 116.67 122.26 3gfg s ASP 71 Ca 0.35 -1.05 0.25 0.00 -0.52 0.00 0.00 52.55 51.58 3gfg s ASP 71 Cb 0.26 -2.23 1.61 0.00 -1.46 0.00 0.00 42.92 41.10 3gfg s ASP 71 CO 0.12 -0.72 2.20 -0.65 0.52 0.00 0.00 175.17 176.64 3gfg h PRO 72 N 8.83 0.00 0.00 4.34 0.11 -1.86 -2.47 132.00 140.95 3gfg h PRO 72 Ca -0.28 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3gfg h PRO 72 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3gfg h PRO 72 CO 0.89 0.02 -0.55 0.00 -0.21 0.00 0.00 178.00 178.15 3gfg h ALA 73 N 1.98 0.94 -2.61 -0.75 0.00 -1.94 -3.44 119.26 113.44 3gfg h ALA 73 Ca -0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 3gfg h ALA 73 Cb 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gfg h ALA 73 CO 0.00 0.69 0.65 0.42 0.00 0.00 0.00 179.25 181.01 3gfg s ILE 74 N -3.54 3.42 -0.14 0.00 -1.09 -0.93 -4.68 121.20 114.24 3gfg s ILE 74 Ca -0.01 1.10 0.09 0.00 -2.23 0.00 0.00 60.65 59.60 3gfg s ILE 74 Cb 0.12 -3.70 -0.15 0.00 -1.58 0.00 0.00 42.46 37.14 3gfg s ILE 74 CO 0.74 0.13 -0.00 -0.62 -1.23 0.00 0.00 174.94 173.95 3gfg n GLU 75 N 3.22 1.46 -3.82 2.79 1.02 0.01 -4.92 120.64 120.40 3gfg n GLU 75 Ca 0.08 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 3gfg n GLU 75 Cb 0.43 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 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 -5.25 1.47 -0.07 -4.62 2.96 -0.95 -1.49 118.68 110.73 3gfg s LEU 76 Ca -0.11 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3gfg s LEU 76 Cb 0.04 0.20 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 3gfg s LEU 76 CO 0.51 -0.06 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 3gfg s VAL 77 N 0.40 2.07 -0.28 1.68 1.01 -0.28 -1.27 120.40 123.74 3gfg s VAL 77 Ca -0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 3gfg s VAL 77 Cb -0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3gfg s VAL 77 CO -0.01 0.57 0.14 -0.63 0.00 0.00 0.00 175.10 175.16 3gfg s ILE 78 N -0.01 4.82 -0.57 2.22 -1.09 -0.33 -1.37 121.20 124.86 3gfg s ILE 78 Ca -0.08 -0.07 -0.19 0.00 -2.23 0.00 0.00 60.65 58.08 3gfg s ILE 78 Cb -0.15 -3.32 0.09 0.00 -1.58 0.00 0.00 42.46 37.50 3gfg s ILE 78 CO 0.05 0.24 0.68 -0.69 -1.23 0.00 0.00 174.94 174.00 3gfg s VAL 79 N 1.68 4.83 -0.11 2.92 1.01 -0.31 -0.24 120.40 130.18 3gfg s VAL 79 Ca 0.06 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.29 3gfg s VAL 79 Cb -0.16 -4.43 0.14 0.00 0.00 0.00 0.00 36.38 31.93 3gfg s VAL 79 CO 0.07 -1.03 1.09 0.35 0.00 0.00 0.00 175.10 175.58 3gfg n THR 80 N 5.57 1.36 -1.11 3.92 -2.24 -0.48 -1.56 114.28 119.75 3gfg n THR 80 Ca -0.08 -1.47 -0.30 0.00 -2.27 0.00 0.00 64.05 59.92 3gfg n THR 80 Cb 0.43 0.22 0.25 0.00 -2.10 0.00 0.00 70.33 69.13 3gfg n THR 80 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gfg s THR 81 N -1.72 1.53 0.36 4.28 -4.23 -1.14 -4.73 115.64 109.99 3gfg s THR 81 Ca 0.14 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.37 3gfg s THR 81 Cb 0.12 -2.51 -0.11 0.00 1.34 0.00 0.00 72.50 71.34 3gfg s THR 81 CO 0.02 0.00 1.40 -2.84 -0.54 0.00 0.00 174.62 172.66 3gfg s PRO 82 N -5.54 4.20 0.05 3.99 0.02 -1.26 -4.84 135.00 131.63 3gfg s PRO 82 Ca 0.72 2.40 -0.06 0.00 0.02 0.00 0.00 61.00 64.09 3gfg s PRO 82 Cb -0.07 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3gfg s PRO 82 CO 0.56 -0.38 0.37 0.43 -0.33 0.00 0.00 177.00 177.64 3gfg n SER 83 N 0.58 -0.20 0.00 2.53 7.64 -1.26 -0.37 113.62 122.54 3gfg n SER 83 Ca 0.01 0.42 0.06 0.00 1.01 0.00 0.00 58.87 60.37 3gfg n SER 83 Cb 0.41 -0.08 0.34 0.00 -1.01 0.00 0.00 64.21 63.87 3gfg n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gfg n GLY 84 N -1.09 -0.64 0.00 0.23 0.00 -1.26 -1.52 105.19 100.91 3gfg n GLY 84 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.78 0.26 -0.16 0.99 4.32 0.50 -4.79 117.00 117.34 3gfg n LEU 85 Ca 0.09 -0.46 -0.08 0.00 -0.02 0.00 0.00 56.01 55.54 3gfg n LEU 85 Cb 0.04 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 3gfg n LEU 85 CO 0.07 0.06 0.60 0.45 -1.22 0.00 0.00 177.39 177.35 3gfg h HIS 86 N 0.00 -1.11 0.21 -1.77 3.86 -1.22 -0.88 115.15 114.24 3gfg h HIS 86 Ca 0.00 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3gfg h HIS 86 Cb 0.15 0.56 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 3gfg h HIS 86 CO 0.00 -0.41 -0.16 -0.92 0.86 0.00 0.00 177.93 177.30 3gfg h TYR 87 N -0.26 -0.41 -0.37 2.45 3.20 -1.86 -1.58 116.97 118.14 3gfg h TYR 87 Ca 0.17 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3gfg h TYR 87 Cb 0.56 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 3gfg h TYR 87 CO -0.62 -0.25 0.08 1.49 -1.64 0.00 0.00 178.16 177.22 3gfg h GLU 88 N -0.38 0.19 -0.35 1.82 4.81 -1.81 -1.10 114.58 117.77 3gfg h GLU 88 Ca -0.01 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 3gfg h GLU 88 Cb 0.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3gfg h GLU 88 CO -0.01 0.13 -0.25 0.45 -0.73 0.00 0.00 179.01 178.61 3gfg h HIS 89 N 0.20 0.93 0.09 0.92 3.86 -1.04 -2.64 115.15 117.47 3gfg h HIS 89 Ca 0.18 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3gfg h HIS 89 Cb 0.20 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3gfg h HIS 89 CO -0.19 1.01 -0.04 1.15 0.86 0.00 0.00 177.93 180.72 3gfg h THR 90 N 0.57 1.05 -0.84 2.45 2.02 -1.20 -2.50 112.91 114.46 3gfg h THR 90 Ca 0.07 -0.51 0.16 0.00 0.77 0.00 0.00 66.41 66.90 3gfg h THR 90 Cb 0.81 1.38 -0.10 0.00 -1.74 0.00 0.00 68.15 68.50 3gfg h THR 90 CO 0.07 0.13 0.41 -0.03 0.37 0.00 0.00 175.52 176.46 3gfg h MET 91 N -0.35 0.54 -0.15 6.66 -1.53 -1.19 0.70 114.93 119.60 3gfg h MET 91 Ca -0.01 -0.03 -0.10 0.00 -3.44 0.00 0.00 59.70 56.12 3gfg h MET 91 Cb 0.30 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 3gfg h MET 91 CO 0.02 0.35 -0.34 0.00 0.14 0.00 0.00 176.91 177.08 3gfg h ALA 92 N 1.58 1.14 -0.10 0.39 0.00 -1.29 -1.72 119.26 119.25 3gfg h ALA 92 Ca 0.47 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gfg h ALA 92 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gfg h ALA 92 CO -0.40 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 3gfg h ILE 94 N -0.15 0.55 0.00 0.00 2.04 -0.72 -1.18 117.51 118.06 3gfg h ILE 94 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3gfg h ILE 94 Cb 0.53 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3gfg h ILE 94 CO 0.02 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.58 3gfg h GLN 95 N -0.03 0.00 -0.00 2.37 1.08 -1.31 0.14 115.11 117.35 3gfg h GLN 95 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3gfg h GLN 95 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3gfg h GLN 95 CO -0.43 0.15 -0.00 0.00 -0.95 0.00 0.00 178.83 177.60 3gfg n ALA 96 N -2.35 2.55 -1.12 3.87 0.00 -0.50 -4.93 120.51 118.02 3gfg n ALA 96 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gfg n ALA 96 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.20 0.55 3.88 0.00 0.00 0.47 -5.01 105.19 106.30 3gfg n GLY 97 Ca 0.17 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.30 3.55 0.51 1.61 -0.14 -0.85 -4.96 119.74 117.16 3gfg s LYS 98 Ca 0.00 -0.10 -0.20 0.00 -1.36 0.00 0.00 55.97 54.32 3gfg s LYS 98 Cb 0.00 -3.11 -0.07 0.00 -1.68 0.00 0.00 37.83 32.97 3gfg s LYS 98 CO 0.00 0.68 1.07 -1.01 -0.76 0.00 0.00 175.35 175.34 3gfg s HIS 99 N -1.23 2.87 -0.03 3.18 3.76 -0.55 -4.33 115.29 118.95 3gfg s HIS 99 Ca 0.25 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.72 3gfg s HIS 99 Cb -0.13 -3.15 0.03 0.00 1.11 0.00 0.00 32.58 30.44 3gfg s HIS 99 CO 0.14 -1.13 -0.00 0.08 -0.85 0.00 0.00 174.74 172.97 3gfg s VAL 100 N -1.93 0.21 -0.25 -0.90 1.01 0.50 -1.12 120.40 117.91 3gfg s VAL 100 Ca 0.69 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.66 3gfg s VAL 100 Cb -0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3gfg s VAL 100 CO 0.24 0.15 0.07 -0.69 0.00 0.00 0.00 175.10 174.86 3gfg s VAL 101 N 0.98 4.23 -0.08 2.92 1.01 -0.47 -0.34 120.40 128.64 3gfg s VAL 101 Ca -0.10 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 3gfg s VAL 101 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3gfg s VAL 101 CO -0.01 0.32 0.34 -0.04 0.00 0.00 0.00 175.10 175.70 3gfg s MET 102 N 1.60 3.99 0.79 2.72 -1.94 0.67 -1.16 119.30 125.96 3gfg s MET 102 Ca 0.06 0.23 -0.12 0.00 -1.71 0.00 0.00 55.69 54.15 3gfg s MET 102 Cb -0.15 -3.30 0.07 0.00 2.01 0.00 0.00 34.83 33.46 3gfg s MET 102 CO 0.03 0.51 1.15 -1.21 -0.01 0.00 0.00 175.02 175.49 3gfg s GLU 103 N -0.40 1.89 0.44 2.03 0.41 -0.60 0.16 118.70 122.62 3gfg s GLU 103 Ca 0.20 1.51 -0.11 0.00 -0.41 0.00 0.00 54.97 56.17 3gfg s GLU 103 Cb -0.15 -1.83 -0.06 0.00 -1.78 0.00 0.00 34.13 30.31 3gfg s GLU 103 CO 0.09 -1.97 0.82 -1.59 -0.49 0.00 0.00 175.26 172.11 3gfg s LYS 104 N -4.39 3.76 0.44 1.61 0.00 -1.26 -3.76 119.74 116.14 3gfg s LYS 104 Ca 0.68 0.51 -0.23 0.00 0.00 0.00 0.00 55.97 56.93 3gfg s LYS 104 Cb -0.23 -2.34 -0.08 0.00 0.00 0.00 0.00 37.83 35.18 3gfg s LYS 104 CO 0.51 -0.12 1.10 -1.25 0.00 0.00 0.00 175.35 175.59 3gfg s PRO 105 N -4.09 3.91 0.01 1.78 0.04 -1.26 -5.04 135.00 130.35 3gfg s PRO 105 Ca 0.52 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 3gfg s PRO 105 Cb -0.10 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 3gfg s PRO 105 CO 0.35 -0.38 1.02 1.98 0.04 0.00 0.00 177.00 180.01 3gfg h MET 106 N 2.13 -0.01 -4.01 4.56 1.85 -1.88 -3.46 114.93 114.10 3gfg h MET 106 Ca -0.49 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.42 3gfg h MET 106 Cb 1.23 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 33.17 3gfg h MET 106 CO 0.61 -0.01 -0.24 0.95 -0.40 0.00 0.00 176.91 177.82 3gfg s THR 107 N -3.11 0.00 0.11 -0.77 -4.23 -1.26 -4.77 115.64 101.61 3gfg s THR 107 Ca -0.01 -1.59 -0.14 0.00 -1.18 0.00 0.00 61.69 58.77 3gfg s THR 107 Cb 0.00 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.35 3gfg s THR 107 CO 0.03 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.57 3gfg h ALA 108 N 2.26 0.47 -3.06 3.99 0.00 -1.92 -3.46 119.26 117.54 3gfg h ALA 108 Ca -0.29 -0.37 -0.62 0.00 0.00 0.00 0.00 54.91 53.64 3gfg h ALA 108 Cb 1.25 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 3gfg h ALA 108 CO 0.40 0.43 -0.81 0.95 0.00 0.00 0.00 179.25 180.22 3gfg s THR 109 N -4.53 2.21 0.12 0.00 -4.23 -1.26 -4.88 115.64 103.08 3gfg s THR 109 Ca -0.12 -2.02 -0.20 0.00 -1.18 0.00 0.00 61.69 58.17 3gfg s THR 109 Cb 0.09 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 3gfg s THR 109 CO 0.82 -0.19 1.73 0.00 -0.54 0.00 0.00 174.62 176.45 3gfg h ALA 110 N 3.17 0.17 -0.85 3.99 0.00 -1.88 -3.02 119.26 120.85 3gfg h ALA 110 Ca -0.45 0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.70 3gfg h ALA 110 Cb 1.21 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 3gfg h ALA 110 CO 0.49 -0.42 0.31 1.49 0.00 0.00 0.00 179.25 181.13 3gfg h GLU 111 N 0.08 0.34 -0.60 0.00 4.81 -1.97 0.77 114.58 118.02 3gfg h GLU 111 Ca 0.09 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3gfg h GLU 111 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gfg h GLU 111 CO -0.13 0.23 0.07 0.93 -0.73 0.00 0.00 179.01 179.38 3gfg h GLU 112 N 0.35 1.01 -0.86 1.92 5.08 -1.98 -2.05 114.58 118.05 3gfg h GLU 112 Ca 0.51 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3gfg h GLU 112 Cb 0.94 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3gfg h GLU 112 CO -0.53 0.96 0.41 0.78 -1.00 0.00 0.00 179.01 179.63 3gfg h GLY 113 N 0.91 1.32 0.99 -3.84 0.00 -1.00 -2.33 103.07 99.13 3gfg h GLY 113 Ca 0.18 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gfg h GLY 113 CO 0.02 0.63 0.32 0.83 0.00 0.00 0.00 176.54 178.33 3gfg h GLU 114 N 1.22 0.69 -0.70 4.80 4.39 -0.71 -0.33 114.58 123.94 3gfg h GLU 114 Ca 0.29 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 3gfg h GLU 114 Cb 0.12 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3gfg h GLU 114 CO -0.04 0.49 0.19 1.15 -1.16 0.00 0.00 179.01 179.65 3gfg h THR 115 N 0.69 1.26 0.01 1.13 2.02 -1.26 0.04 112.91 116.79 3gfg h THR 115 Ca 0.18 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3gfg h THR 115 Cb -0.03 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3gfg h THR 115 CO -0.04 0.36 -0.00 -0.07 0.37 0.00 0.00 175.52 176.14 3gfg h LEU 116 N 1.05 -0.01 -0.46 2.58 3.38 -1.02 -1.86 115.31 118.98 3gfg h LEU 116 Ca 0.22 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3gfg h LEU 116 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3gfg h LEU 116 CO -0.00 0.06 0.18 0.50 0.09 0.00 0.00 178.44 179.26 3gfg h LYS 117 N -0.08 0.35 0.05 1.13 3.64 -0.74 -1.76 116.57 119.16 3gfg h LYS 117 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gfg h LYS 117 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3gfg h LYS 117 CO 0.00 0.23 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.30 3gfg h ARG 118 N 0.36 -0.07 -0.91 1.90 2.43 -0.85 -0.98 114.38 116.27 3gfg h ARG 118 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3gfg h ARG 118 Cb 0.20 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3gfg h ARG 118 CO -0.21 -0.02 0.58 0.00 -1.51 0.00 0.00 179.97 178.81 3gfg h ALA 119 N 0.85 1.15 -0.86 2.80 0.00 -1.27 -0.52 119.26 121.41 3gfg h ALA 119 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gfg h ALA 119 Cb 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3gfg h ALA 119 CO 0.01 0.58 0.44 0.00 0.00 0.00 0.00 179.25 180.28 3gfg h ALA 120 N 1.32 1.17 -0.36 0.00 0.00 -1.02 0.27 119.26 120.64 3gfg h ALA 120 Ca 0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3gfg h ALA 120 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3gfg h ALA 120 CO -0.07 0.65 -0.22 -0.44 0.00 0.00 0.00 179.25 179.18 3gfg h ASP 121 N 1.21 0.81 0.13 0.00 3.32 -0.84 0.11 116.42 121.16 3gfg h ASP 121 Ca 0.30 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3gfg h ASP 121 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3gfg h ASP 121 CO -0.04 1.06 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.14 3gfg h GLU 122 N 0.57 -0.17 0.00 3.56 4.39 -0.80 -2.65 114.58 119.48 3gfg h GLU 122 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3gfg h GLU 122 Cb 0.77 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3gfg h GLU 122 CO 0.06 -0.08 0.00 1.17 -1.16 0.00 0.00 179.01 179.00 3gfg n LYS 123 N -5.15 0.17 -2.35 2.33 3.00 0.06 -4.93 118.16 111.29 3gfg n LYS 123 Ca -0.08 0.31 -0.05 0.00 -0.00 0.00 0.00 58.31 58.48 3gfg n LYS 123 Cb 0.11 -1.77 0.01 0.00 0.00 0.00 0.00 35.03 33.37 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 0.48 0.32 3.69 3.14 0.00 0.22 -4.99 105.19 108.05 3gfg n GLY 124 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.56 3.31 -0.06 1.61 -7.23 -0.33 -5.02 120.40 110.11 3gfg s VAL 125 Ca 0.05 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.15 3gfg s VAL 125 Cb -0.02 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3gfg s VAL 125 CO 0.07 -0.28 0.93 -0.76 -0.31 0.00 0.00 175.10 174.74 3gfg s LEU 126 N -3.76 4.31 -0.20 1.32 1.43 -1.26 -4.54 118.68 115.98 3gfg s LEU 126 Ca 0.34 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 3gfg s LEU 126 Cb -0.05 -3.45 0.04 0.00 0.03 0.00 0.00 46.19 42.76 3gfg s LEU 126 CO 0.21 -0.30 -0.13 -0.22 0.23 0.00 0.00 176.35 176.14 3gfg s LEU 127 N 1.37 2.38 0.19 1.79 2.96 -1.26 -0.37 118.68 125.74 3gfg s LEU 127 Ca 0.47 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3gfg s LEU 127 Cb -0.19 -1.33 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 3gfg s LEU 127 CO 0.22 -0.11 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.45 3gfg s SER 128 N 1.33 2.45 -0.05 3.68 0.15 0.54 -3.34 113.70 118.46 3gfg s SER 128 Ca -0.01 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.69 3gfg s SER 128 Cb -0.16 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3gfg s SER 128 CO -0.09 -0.20 -0.23 -0.69 1.20 0.00 0.00 173.24 173.24 3gfg s VAL 129 N -3.03 2.29 -1.41 4.45 1.01 -1.25 -0.24 120.40 122.22 3gfg s VAL 129 Ca 0.21 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3gfg s VAL 129 Cb -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3gfg s VAL 129 CO 0.06 0.57 2.49 0.00 0.00 0.00 0.00 175.10 178.22 3gfg n TYR 130 N 2.69 2.73 -2.18 5.22 9.36 0.12 -4.67 117.16 130.44 3gfg n TYR 130 Ca -0.17 -2.82 -0.42 0.00 3.32 0.00 0.00 57.90 57.81 3gfg n TYR 130 Cb 0.52 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 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 5.03 2.82 1.86 2.98 8.25 -1.26 -4.36 115.22 130.54 3gfg n HIS 131 Ca 0.62 -2.81 0.12 0.00 -0.26 0.00 0.00 57.72 55.39 3gfg n HIS 131 Cb 0.30 -1.95 0.72 0.00 1.12 0.00 0.00 29.99 30.19 3gfg n HIS 131 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3gfg n ASN 132 N 3.27 0.00 0.00 0.41 6.94 -1.26 -3.13 115.26 121.49 3gfg n ASN 132 Ca 0.48 -1.10 0.10 0.00 -0.02 0.00 0.00 54.58 54.04 3gfg n ASN 132 Cb 0.32 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.21 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 -0.91 0.14 0.32 -3.83 3.00 -1.26 -1.93 116.66 112.19 3gfg n ARG 133 Ca 0.18 0.13 0.22 0.00 -0.01 0.00 0.00 57.85 58.37 3gfg n ARG 133 Cb 0.08 -1.50 1.10 0.00 0.00 0.00 0.00 32.46 32.15 3gfg n ARG 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gfg h ARG 134 N 0.00 0.00 -0.35 5.56 3.08 -1.90 -2.83 114.38 117.94 3gfg h ARG 134 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gfg h ARG 134 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3gfg h ARG 134 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3gfg n TRP 135 N -3.06 1.16 -2.00 3.04 8.01 -0.81 -4.39 117.44 119.38 3gfg n TRP 135 Ca -0.02 -0.81 -0.39 0.00 -1.31 0.00 0.00 57.50 54.97 3gfg n TRP 135 Cb 0.12 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.09 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 -1.59 6.10 0.16 -0.99 1.11 -1.07 -1.08 116.67 119.30 3gfg s ASP 136 Ca 0.44 2.68 -0.16 0.00 0.18 0.00 0.00 52.55 55.68 3gfg s ASP 136 Cb 0.34 -2.64 0.08 0.00 1.07 0.00 0.00 42.92 41.78 3gfg s ASP 136 CO 0.12 -1.00 1.72 -0.55 1.18 0.00 0.00 175.17 176.64 3gfg h ASN 137 N 2.41 -0.03 -0.58 0.27 7.08 -1.84 0.87 115.58 123.75 3gfg h ASN 137 Ca -0.50 0.07 0.02 0.00 -3.08 0.00 0.00 56.30 52.81 3gfg h ASN 137 Cb 1.26 0.10 -0.04 0.00 -2.08 0.00 0.00 38.32 37.56 3gfg h ASN 137 CO 0.61 0.02 0.36 -2.24 -2.08 0.00 0.00 177.43 174.10 3gfg h ASP 138 N 0.17 0.59 -0.41 6.14 3.04 -1.94 -1.32 116.42 122.69 3gfg h ASP 138 Ca 0.18 -0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.84 3gfg h ASP 138 Cb 0.22 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.36 3gfg h ASP 138 CO -0.25 0.42 -0.23 0.15 -2.04 0.00 0.00 179.24 177.29 3gfg h PHE 139 N 0.71 1.06 -0.55 4.15 3.57 -1.75 -0.06 116.94 124.07 3gfg h PHE 139 Ca 0.23 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3gfg h PHE 139 Cb -0.00 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3gfg h PHE 139 CO -0.05 1.05 0.31 -0.07 -2.23 0.00 0.00 178.31 177.32 3gfg h LEU 140 N 0.79 0.67 -0.38 0.59 3.38 -0.64 -1.40 115.31 118.32 3gfg h LEU 140 Ca 0.10 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3gfg h LEU 140 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3gfg h LEU 140 CO 0.07 0.54 -0.12 0.74 0.09 0.00 0.00 178.44 179.75 3gfg h THR 141 N 0.76 1.28 -0.01 0.22 2.02 -0.77 -1.28 112.91 115.12 3gfg h THR 141 Ca 0.20 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.18 3gfg h THR 141 Cb 0.01 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3gfg h THR 141 CO -0.03 0.40 -0.08 0.40 0.37 0.00 0.00 175.52 176.58 3gfg h ILE 142 N 0.56 0.80 -0.97 3.11 2.04 -0.63 -1.92 117.51 120.50 3gfg h ILE 142 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 3gfg h ILE 142 Cb 0.64 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 3gfg h ILE 142 CO 0.04 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.94 3gfg h LYS 143 N -0.13 1.22 -0.70 2.37 1.57 -1.17 -0.12 116.57 119.62 3gfg h LYS 143 Ca 0.04 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3gfg h LYS 143 Cb 0.17 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3gfg h LYS 143 CO -0.09 0.81 0.32 -0.22 -0.57 0.00 0.00 179.45 179.70 3gfg h LYS 144 N 1.26 1.03 -0.52 3.15 3.64 -1.07 -0.70 116.57 123.36 3gfg h LYS 144 Ca 0.38 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3gfg h LYS 144 Cb -0.06 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3gfg h LYS 144 CO -0.11 0.82 0.20 -0.07 -2.27 0.00 0.00 179.45 178.03 3gfg h LEU 145 N 0.99 0.72 -0.01 5.20 3.38 -0.55 -1.70 115.31 123.34 3gfg h LEU 145 Ca 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gfg h LEU 145 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gfg h LEU 145 CO -0.03 0.70 0.01 0.40 0.09 0.00 0.00 178.44 179.61 3gfg h ILE 146 N 0.70 1.02 0.00 1.22 2.04 -0.65 -1.64 117.51 120.20 3gfg h ILE 146 Ca 0.17 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3gfg h ILE 146 Cb 0.21 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3gfg h ILE 146 CO -0.01 0.01 -0.16 0.77 0.00 0.00 0.00 178.15 178.76 3gfg h SER 147 N -0.00 0.00 -0.08 1.72 4.64 -0.91 -0.18 113.55 118.74 3gfg h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gfg h SER 147 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3gfg h SER 147 CO -0.00 0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 3gfg n GLU 148 N -3.60 1.46 -0.98 4.77 1.02 -0.66 -4.92 120.64 117.73 3gfg n GLU 148 Ca -0.01 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 3gfg n GLU 148 Cb 0.29 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.04 0.52 0.10 0.62 0.00 -0.08 -4.92 105.19 102.48 3gfg n GLY 149 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.75 -3.06 1.61 7.64 -0.64 -4.15 113.62 115.78 3gfg n SER 150 Ca 0.00 0.58 -0.23 0.00 1.01 0.00 0.00 58.87 60.23 3gfg n SER 150 Cb 0.00 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.22 2.96 -4.75 -3.43 4.77 -1.22 -4.75 117.00 108.35 3gfg n LEU 151 Ca 0.05 -5.40 -0.40 0.00 -0.03 0.00 0.00 56.01 50.23 3gfg n LEU 151 Cb 0.40 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3gfg n LEU 151 CO 0.29 2.32 0.77 -1.61 -1.33 0.00 0.00 177.39 177.82 3gfg s GLU 152 N -2.99 4.68 -1.06 3.23 0.41 -1.26 -4.37 118.70 117.33 3gfg s GLU 152 Ca 0.45 1.74 -0.07 0.00 -0.41 0.00 0.00 54.97 56.68 3gfg s GLU 152 Cb 0.30 -3.22 -0.06 0.00 -1.78 0.00 0.00 34.13 29.37 3gfg s GLU 152 CO -0.11 0.25 0.91 -3.47 -0.49 0.00 0.00 175.26 172.36 3gfg n ASP 153 N 1.37 -6.36 -4.72 -0.19 2.03 -1.26 -1.88 116.55 105.54 3gfg n ASP 153 Ca -0.01 -0.73 -0.42 0.00 0.52 0.00 0.00 54.79 54.15 3gfg n ASP 153 Cb 0.45 -5.07 -0.03 0.00 -0.72 0.00 0.00 41.12 35.75 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 -3.40 2.37 -0.04 5.18 1.01 -1.26 -2.35 121.20 122.71 3gfg s ILE 154 Ca 0.44 0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.46 3gfg s ILE 154 Cb -0.07 -3.17 -0.15 0.00 0.01 0.00 0.00 42.46 39.08 3gfg s ILE 154 CO 0.75 0.02 0.16 -0.46 0.00 0.00 0.00 174.94 175.41 3gfg n ASN 155 N 3.79 2.61 -3.74 3.58 0.23 0.14 -4.62 115.26 117.26 3gfg n ASN 155 Ca 0.14 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.04 3gfg n ASN 155 Cb 0.37 1.22 -0.15 0.00 -2.08 0.00 0.00 39.78 39.15 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 -2.56 -0.09 -0.30 5.53 2.01 -1.02 -1.00 115.64 118.22 3gfg s THR 156 Ca -0.04 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 3gfg s THR 156 Cb 0.05 -0.21 0.10 0.00 0.01 0.00 0.00 72.50 72.45 3gfg s THR 156 CO 0.42 0.09 0.10 -0.47 -0.69 0.00 0.00 174.62 174.08 3gfg s TYR 157 N 1.38 1.34 -0.16 4.92 5.04 0.01 -0.93 117.35 128.95 3gfg s TYR 157 Ca -0.07 -1.47 -0.02 0.00 -2.44 0.00 0.00 57.07 53.08 3gfg s TYR 157 Cb -0.12 -1.47 -0.01 0.00 0.35 0.00 0.00 41.96 40.70 3gfg s TYR 157 CO -0.05 -0.84 -0.09 -0.65 -1.34 0.00 0.00 175.55 172.58 3gfg s GLN 158 N 1.75 3.43 -0.06 4.97 -0.21 -0.01 -0.50 119.66 129.03 3gfg s GLN 158 Ca 0.09 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.86 3gfg s GLN 158 Cb -0.17 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3gfg s GLN 158 CO -0.26 0.08 -0.16 0.08 -2.12 0.00 0.00 175.29 172.91 3gfg s VAL 159 N 0.73 1.35 -0.03 1.09 1.01 0.14 -0.48 120.40 124.21 3gfg s VAL 159 Ca -0.04 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3gfg s VAL 159 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3gfg s VAL 159 CO 0.02 0.40 -0.23 -0.94 0.00 0.00 0.00 175.10 174.34 3gfg s SER 160 N 0.31 3.26 -0.51 3.32 1.04 -0.59 -1.75 113.70 118.78 3gfg s SER 160 Ca -0.09 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 55.98 3gfg s SER 160 Cb -0.14 -0.51 0.22 0.00 0.10 0.00 0.00 66.02 65.70 3gfg s SER 160 CO 0.03 0.32 0.55 0.00 0.98 0.00 0.00 173.24 175.12 3gfg n TYR 161 N 2.48 1.18 -3.05 5.02 -0.00 0.17 -4.68 117.16 118.27 3gfg n TYR 161 Ca -0.16 -3.79 -0.25 0.00 -0.00 0.00 0.00 57.90 53.70 3gfg n TYR 161 Cb 0.51 -0.33 -0.00 0.00 -0.00 0.00 0.00 39.34 39.52 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 -1.37 6.14 0.22 2.98 0.01 -1.26 -4.24 114.94 117.42 3gfg s ASN 162 Ca 0.35 0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 52.97 3gfg s ASN 162 Cb 0.11 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3gfg s ASN 162 CO -0.11 -0.50 0.28 0.00 -1.51 0.00 0.00 177.10 175.26 3gfg s ARG 163 N -4.51 1.36 -0.52 -0.60 1.70 -0.45 -4.94 118.95 110.99 3gfg s ARG 163 Ca 0.44 -1.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.25 3gfg s ARG 163 Cb -0.10 0.36 0.13 0.00 -0.57 0.00 0.00 34.95 34.77 3gfg s ARG 163 CO 0.39 -0.50 0.28 -0.47 -1.08 0.00 0.00 175.30 173.92 3gfg s TYR 164 N -4.08 3.36 -0.61 5.89 5.04 -1.25 -2.04 117.35 123.66 3gfg s TYR 164 Ca 0.32 -2.97 0.06 0.00 -2.44 0.00 0.00 57.07 52.04 3gfg s TYR 164 Cb 0.04 -2.97 0.21 0.00 0.35 0.00 0.00 41.96 39.58 3gfg s TYR 164 CO 0.11 -0.82 0.59 0.54 -1.34 0.00 0.00 175.55 174.63 3gfg n ARG 165 N 3.48 1.80 0.22 4.97 5.12 0.21 -4.95 116.66 127.51 3gfg n ARG 165 Ca 0.05 -4.26 0.15 0.00 -1.93 0.00 0.00 57.85 51.86 3gfg n ARG 165 Cb 0.36 -2.07 0.59 0.00 -1.16 0.00 0.00 32.46 30.17 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 4.74 0.00 -5.56 5.56 0.13 -1.95 -3.41 132.00 131.52 3gfg h PRO 166 Ca 0.17 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.68 3gfg h PRO 166 Cb 0.75 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.75 3gfg h PRO 166 CO 0.70 0.00 0.20 -1.21 -0.23 0.00 0.00 178.00 177.46 3gfg s GLU 167 N -3.52 3.66 1.04 0.86 8.01 -1.26 -4.89 118.70 122.61 3gfg s GLU 167 Ca 0.03 0.08 -0.12 0.00 0.01 0.00 0.00 54.97 54.97 3gfg s GLU 167 Cb 0.09 -3.82 0.21 0.00 -4.31 0.00 0.00 34.13 26.30 3gfg s GLU 167 CO 0.51 -0.79 1.07 0.08 0.01 0.00 0.00 175.26 176.14 3gfg s VAL 168 N 2.82 2.18 0.00 2.63 1.01 -1.26 -5.21 120.40 122.57 3gfg s VAL 168 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3gfg s VAL 168 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3gfg s VAL 168 CO 0.16 -0.08 0.00 1.07 0.00 0.00 0.00 175.10 176.25 3gfg n THR 178 N -4.48 0.00 -4.23 3.92 5.66 -1.26 -5.17 114.28 108.72 3gfg n THR 178 Ca 0.06 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.72 3gfg n THR 178 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 3gfg n THR 178 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gfg n ALA 179 N 0.89 -2.13 -2.62 1.79 0.00 -1.26 -4.69 120.51 112.49 3gfg n ALA 179 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 3gfg n ALA 179 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -4.17 4.51 0.00 0.00 -4.23 -1.26 -4.81 115.64 105.68 3gfg s THR 180 Ca 0.10 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3gfg s THR 180 Cb -0.05 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3gfg s THR 180 CO 0.98 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3gfg n GLY 181 N -1.65 -0.48 0.21 3.99 0.00 -1.26 -4.56 105.19 101.43 3gfg n GLY 181 Ca -0.03 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.29 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 0.55 -0.05 2.61 1.35 -1.49 -1.26 112.91 114.62 3gfg h THR 182 Ca 0.00 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 3gfg h THR 182 Cb 0.00 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3gfg h THR 182 CO 0.00 0.25 -0.01 0.25 -0.25 0.00 0.00 175.52 175.76 3gfg h LEU 183 N 0.00 0.10 -0.44 3.87 5.85 -1.85 0.41 115.31 123.25 3gfg h LEU 183 Ca -0.00 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3gfg h LEU 183 Cb 0.90 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3gfg h LEU 183 CO 0.03 0.42 0.12 1.88 -0.34 0.00 0.00 178.44 180.56 3gfg h TYR 184 N -0.23 0.72 0.03 1.25 -1.99 -1.77 -1.66 116.97 113.33 3gfg h TYR 184 Ca 0.01 -0.08 -0.18 0.00 2.00 0.00 0.00 58.73 60.48 3gfg h TYR 184 Cb 0.37 -0.21 0.02 0.00 2.00 0.00 0.00 36.73 38.91 3gfg h TYR 184 CO 0.04 0.66 -0.74 0.22 -0.00 0.00 0.00 178.16 178.35 3gfg h ASP 185 N 0.57 0.59 0.00 3.88 3.58 -1.13 -3.35 116.42 120.57 3gfg h ASP 185 Ca 0.14 -0.80 -0.28 0.00 0.42 0.00 0.00 57.03 56.52 3gfg h ASP 185 Cb 0.29 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 3gfg h ASP 185 CO -0.00 1.32 -1.99 0.18 -2.88 0.00 0.00 179.24 175.86 3gfg n LEU 186 N -4.13 2.27 -0.27 2.28 4.77 0.13 -4.69 117.00 117.36 3gfg n LEU 186 Ca -0.11 0.04 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 3gfg n LEU 186 Cb 0.75 -0.57 0.18 0.00 -2.33 0.00 0.00 43.42 41.44 3gfg n LEU 186 CO 0.49 0.62 1.07 1.23 -1.33 0.00 0.00 177.39 179.47 3gfg h GLY 187 N 0.48 1.19 0.42 -0.72 0.00 -0.30 -2.37 103.07 101.78 3gfg h GLY 187 Ca -0.42 -0.22 0.09 0.00 0.00 0.00 0.00 47.33 46.78 3gfg h GLY 187 CO -0.15 -0.00 0.21 1.48 0.00 0.00 0.00 176.54 178.08 3gfg h SER 188 N 0.58 0.21 -0.48 0.19 4.64 -1.49 0.34 113.55 117.54 3gfg h SER 188 Ca 0.40 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.89 3gfg h SER 188 Cb 0.51 0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 62.57 3gfg h SER 188 CO -0.33 0.13 -0.14 0.45 -0.87 0.00 0.00 176.83 176.08 3gfg h HIS 189 N 0.39 -0.31 0.00 4.77 3.86 -1.70 0.27 115.15 122.44 3gfg h HIS 189 Ca 0.29 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 3gfg h HIS 189 Cb 0.35 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3gfg h HIS 189 CO -0.17 -0.23 -0.31 -0.84 0.86 0.00 0.00 177.93 177.25 3gfg h ILE 190 N -0.02 0.27 -0.06 2.45 3.07 -1.21 -1.86 117.51 120.14 3gfg h ILE 190 Ca 0.23 -1.39 -0.02 0.00 1.55 0.00 0.00 64.86 65.23 3gfg h ILE 190 Cb 0.37 2.07 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3gfg h ILE 190 CO -0.51 0.15 -0.05 0.40 -1.05 0.00 0.00 178.15 177.10 3gfg h ILE 191 N 0.00 1.36 -0.79 0.16 2.04 0.20 -2.39 117.51 118.08 3gfg h ILE 191 Ca -0.01 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3gfg h ILE 191 Cb 1.13 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 3gfg h ILE 191 CO 0.02 0.31 0.52 -0.78 0.00 0.00 0.00 178.15 178.23 3gfg h ASP 192 N -0.28 0.86 -0.13 1.72 3.58 -0.37 0.68 116.42 122.47 3gfg h ASP 192 Ca 0.01 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.46 3gfg h ASP 192 Cb 0.53 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3gfg h ASP 192 CO 0.01 0.60 0.05 1.56 -2.88 0.00 0.00 179.24 178.58 3gfg h GLN 193 N 1.01 0.12 -0.50 0.28 4.20 -1.32 -0.88 115.11 118.01 3gfg h GLN 193 Ca 0.31 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.04 3gfg h GLN 193 Cb -0.01 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3gfg h GLN 193 CO -0.08 0.08 0.28 1.15 -0.67 0.00 0.00 178.83 179.58 3gfg h THR 194 N 0.12 1.01 -0.38 -0.54 2.02 -0.79 -0.87 112.91 113.48 3gfg h THR 194 Ca 0.06 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3gfg h THR 194 Cb 0.03 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3gfg h THR 194 CO -0.05 0.10 -0.23 -0.07 0.37 0.00 0.00 175.52 175.63 3gfg h LEU 195 N 0.55 0.78 -0.57 2.58 3.38 -0.78 -1.04 115.31 120.20 3gfg h LEU 195 Ca 0.21 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3gfg h LEU 195 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3gfg h LEU 195 CO -0.12 0.98 0.32 -0.74 0.09 0.00 0.00 178.44 178.97 3gfg h HIS 196 N 0.66 0.58 -0.34 1.13 2.76 -0.71 0.16 115.15 119.40 3gfg h HIS 196 Ca 0.09 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.16 3gfg h HIS 196 Cb 0.74 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 3gfg h HIS 196 CO 0.04 0.30 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.62 3gfg h LEU 197 N 0.61 0.82 -0.54 0.26 3.38 -0.84 -3.40 115.31 115.60 3gfg h LEU 197 Ca 0.24 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3gfg h LEU 197 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3gfg h LEU 197 CO -0.14 1.10 0.00 0.49 0.09 0.00 0.00 178.44 179.98 3gfg n PHE 198 N -4.22 0.00 -4.35 1.13 3.72 -0.42 -5.11 117.46 108.20 3gfg n PHE 198 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gfg n PHE 198 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.21 -0.71 3.77 1.37 0.00 0.54 -4.85 105.19 105.51 3gfg n GLY 199 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 4.64 0.81 1.61 -1.94 -1.26 -4.46 119.30 118.70 3gfg s MET 200 Ca 0.00 1.24 -0.11 0.00 -1.71 0.00 0.00 55.69 55.11 3gfg s MET 200 Cb 0.00 -3.27 0.10 0.00 2.01 0.00 0.00 34.83 33.67 3gfg s MET 200 CO 0.00 0.55 1.16 -1.25 -0.01 0.00 0.00 175.02 175.47 3gfg s PRO 201 N -1.11 1.71 0.33 2.03 0.04 -1.26 -5.00 135.00 131.73 3gfg s PRO 201 Ca 0.37 -0.17 0.17 0.00 0.04 0.00 0.00 61.00 61.42 3gfg s PRO 201 Cb -0.24 -2.00 0.31 0.00 0.04 0.00 0.00 34.50 32.61 3gfg s PRO 201 CO 0.28 -1.68 1.56 0.87 0.04 0.00 0.00 177.00 178.06 3gfg h LYS 202 N -1.04 0.00 -2.17 4.56 1.79 -1.36 -3.44 116.57 114.91 3gfg h LYS 202 Ca -0.45 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.97 3gfg h LYS 202 Cb 1.30 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.77 3gfg h LYS 202 CO 0.57 0.42 0.20 0.00 -1.08 0.00 0.00 179.45 179.56 3gfg s ALA 203 N -3.18 -1.74 -0.06 3.86 0.00 -1.24 0.05 121.76 119.44 3gfg s ALA 203 Ca 0.03 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.21 3gfg s ALA 203 Cb 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3gfg s ALA 203 CO 0.72 -0.44 -0.20 0.08 0.00 0.00 0.00 175.76 175.91 3gfg s VAL 204 N -1.66 1.71 -0.14 0.00 1.01 -0.64 -1.42 120.40 119.27 3gfg s VAL 204 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3gfg s VAL 204 Cb -0.00 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3gfg s VAL 204 CO 0.06 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 3gfg s THR 205 N 0.13 1.80 0.03 3.92 2.01 -0.68 -0.47 115.64 122.38 3gfg s THR 205 Ca -0.09 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 3gfg s THR 205 Cb -0.14 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3gfg s THR 205 CO 0.04 0.50 -0.03 0.00 -0.69 0.00 0.00 174.62 174.45 3gfg s ALA 206 N 1.08 0.28 -0.13 7.40 0.00 -1.26 -0.67 121.76 128.46 3gfg s ALA 206 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3gfg s ALA 206 Cb -0.14 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3gfg s ALA 206 CO -0.05 -0.25 -0.21 1.21 0.00 0.00 0.00 175.76 176.45 3gfg s ASN 207 N -2.09 3.21 -0.05 0.00 2.47 -0.43 -2.69 114.94 115.35 3gfg s ASN 207 Ca -0.06 -0.56 -0.00 0.00 0.42 0.00 0.00 52.86 52.65 3gfg s ASN 207 Cb -0.02 -1.45 0.03 0.00 -1.45 0.00 0.00 41.25 38.35 3gfg s ASN 207 CO -0.05 0.11 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.74 3gfg s VAL 208 N 0.64 0.37 0.31 -5.21 1.01 -1.26 -0.52 120.40 115.73 3gfg s VAL 208 Ca -0.11 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3gfg s VAL 208 Cb -0.16 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3gfg s VAL 208 CO 0.02 0.22 0.63 0.00 0.00 0.00 0.00 175.10 175.98 3gfg s MET 209 N 1.47 1.86 -0.43 2.72 0.00 0.52 -4.96 119.30 120.48 3gfg s MET 209 Ca -0.03 -1.30 -0.10 0.00 0.00 0.00 0.00 55.69 54.26 3gfg s MET 209 Cb -0.13 0.55 0.07 0.00 0.00 0.00 0.00 34.83 35.32 3gfg s MET 209 CO -0.03 -0.83 0.28 0.00 0.00 0.00 0.00 175.02 174.45 3gfg s ALA 210 N -3.40 3.34 -0.08 3.16 0.00 -1.26 -0.22 121.76 123.30 3gfg s ALA 210 Ca 0.18 -2.12 0.14 0.00 0.00 0.00 0.00 51.96 50.17 3gfg s ALA 210 Cb -0.03 -2.73 -0.21 0.00 0.00 0.00 0.00 23.12 20.15 3gfg s ALA 210 CO 0.11 -1.65 0.64 0.94 0.00 0.00 0.00 175.76 175.79 3gfg n GLN 211 N 4.98 0.64 -2.53 0.00 7.27 -1.26 -4.88 117.38 121.59 3gfg n GLN 211 Ca -0.11 0.24 -0.39 0.00 0.07 0.00 0.00 57.00 56.82 3gfg n GLN 211 Cb 0.43 -1.76 -0.04 0.00 2.41 0.00 0.00 30.24 31.27 3gfg n GLN 211 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gfg s ARG 212 N -2.68 4.44 0.05 3.69 0.52 -1.26 -4.97 118.95 118.74 3gfg s ARG 212 Ca -0.05 1.65 -0.37 0.00 -0.52 0.00 0.00 55.73 56.44 3gfg s ARG 212 Cb 0.08 -2.90 -0.17 0.00 0.52 0.00 0.00 34.95 32.48 3gfg s ARG 212 CO 0.82 0.07 1.35 -1.91 0.02 0.00 0.00 175.30 175.66 3gfg n GLU 213 N 0.63 1.08 -2.20 3.54 4.07 -1.26 -2.14 120.64 124.36 3gfg n GLU 213 Ca 0.02 0.39 -0.19 0.00 -0.06 0.00 0.00 57.16 57.32 3gfg n GLU 213 Cb 0.47 -2.03 -0.02 0.00 -0.06 0.00 0.00 31.44 29.80 3gfg n GLU 213 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3gfg n ASN 214 N 2.66 -5.42 -4.72 4.31 4.13 -1.26 -4.86 115.26 110.10 3gfg n ASN 214 Ca 0.19 0.08 -0.36 0.00 1.68 0.00 0.00 54.58 56.17 3gfg n ASN 214 Cb 0.18 -4.49 -0.08 0.00 -1.54 0.00 0.00 39.78 33.85 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gfg s ALA 215 N -2.90 3.62 -0.13 5.41 0.00 -0.91 -4.97 121.76 121.89 3gfg s ALA 215 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3gfg s ALA 215 Cb 0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 3gfg s ALA 215 CO 0.00 0.07 0.43 0.93 0.00 0.00 0.00 175.76 177.19 3gfg h GLU 216 N 6.78 0.00 -6.82 0.00 4.39 -1.93 -3.46 114.58 113.53 3gfg h GLU 216 Ca -0.41 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.80 3gfg h GLU 216 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3gfg h GLU 216 CO 0.75 0.59 0.13 0.95 -1.16 0.00 0.00 179.01 180.27 3gfg s THR 217 N -1.96 4.71 0.07 1.13 -4.23 -1.26 -4.82 115.64 109.28 3gfg s THR 217 Ca -0.12 0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 3gfg s THR 217 Cb -0.01 -3.67 -0.10 0.00 1.34 0.00 0.00 72.50 70.06 3gfg s THR 217 CO 0.41 -0.38 1.93 0.52 -0.54 0.00 0.00 174.62 176.56 3gfg n VAL 218 N -0.89 0.64 -0.43 2.29 0.31 -1.26 -4.43 118.33 114.56 3gfg n VAL 218 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3gfg n VAL 218 Cb 0.54 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 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 6.92 0.90 -3.73 4.52 5.68 0.69 -1.14 116.55 130.39 3gfg n ASP 219 Ca 0.19 -1.33 -0.12 0.00 -0.50 0.00 0.00 54.79 53.04 3gfg n ASP 219 Cb 0.40 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.33 -0.43 -0.02 2.11 5.04 -0.47 -2.74 117.35 120.51 3gfg s TYR 220 Ca 0.00 1.00 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 3gfg s TYR 220 Cb 0.00 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.46 3gfg s TYR 220 CO 0.00 -0.24 0.10 -0.59 -1.34 0.00 0.00 175.55 173.48 3gfg s PHE 221 N 0.85 -0.01 -0.19 4.97 -0.12 -0.14 -0.35 117.98 122.99 3gfg s PHE 221 Ca -0.05 0.03 -0.05 0.00 -0.05 0.00 0.00 56.93 56.81 3gfg s PHE 221 Cb -0.06 -0.02 0.07 0.00 -0.63 0.00 0.00 43.02 42.38 3gfg s PHE 221 CO -0.06 -0.16 0.14 -1.58 -0.05 0.00 0.00 175.22 173.51 3gfg s HIS 222 N -0.68 0.01 -0.07 3.49 2.46 0.32 -1.00 115.29 119.83 3gfg s HIS 222 Ca -0.08 -0.13 0.05 0.00 0.47 0.00 0.00 55.06 55.37 3gfg s HIS 222 Cb -0.05 -0.57 -0.01 0.00 -0.13 0.00 0.00 32.58 31.82 3gfg s HIS 222 CO 0.00 -0.56 -0.21 -0.51 -2.47 0.00 0.00 174.74 171.00 3gfg s LEU 223 N 2.21 2.31 -0.21 8.88 1.02 0.63 -1.32 118.68 132.20 3gfg s LEU 223 Ca 0.04 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.72 3gfg s LEU 223 Cb -0.16 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.58 3gfg s LEU 223 CO -0.11 0.25 0.02 -0.89 0.02 0.00 0.00 176.35 175.64 3gfg s THR 224 N -0.19 4.03 -0.23 5.49 2.01 0.15 -0.79 115.64 126.12 3gfg s THR 224 Ca -0.02 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 3gfg s THR 224 Cb -0.13 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3gfg s THR 224 CO 0.03 0.41 0.09 -0.76 -0.69 0.00 0.00 174.62 173.70 3gfg s LEU 225 N 1.17 3.70 -0.48 4.42 1.02 0.13 -1.69 118.68 126.94 3gfg s LEU 225 Ca 0.03 -0.05 -0.19 0.00 0.02 0.00 0.00 54.13 53.94 3gfg s LEU 225 Cb -0.14 -1.97 0.05 0.00 0.02 0.00 0.00 46.19 44.14 3gfg s LEU 225 CO 0.02 0.05 0.56 -0.62 0.02 0.00 0.00 176.35 176.38 3gfg s ASP 226 N 1.13 6.22 -0.46 2.29 2.15 -0.50 -1.84 116.67 125.66 3gfg s ASP 226 Ca 0.05 -0.83 0.03 0.00 0.43 0.00 0.00 52.55 52.23 3gfg s ASP 226 Cb -0.14 -2.27 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 3gfg s ASP 226 CO 0.04 -0.78 1.64 -1.22 -0.17 0.00 0.00 175.17 174.68 3gfg n TYR 227 N 5.95 2.66 0.00 -5.34 4.01 -0.55 -0.81 117.16 123.07 3gfg n TYR 227 Ca -0.07 -2.40 0.00 0.00 -0.16 0.00 0.00 57.90 55.27 3gfg n TYR 227 Cb 0.46 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 -0.91 1.57 0.24 2.72 0.00 -1.26 -2.81 105.19 104.74 3gfg n GLY 228 Ca 0.51 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 0.83 -6.48 1.61 3.64 -1.96 -3.43 116.57 110.79 3gfg h LYS 229 Ca 0.00 -0.59 -0.53 0.00 -1.27 0.00 0.00 60.65 58.26 3gfg h LYS 229 Cb 0.00 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gfg h LYS 229 CO 0.00 1.21 0.49 -1.17 -2.27 0.00 0.00 179.45 177.72 3gfg s LEU 230 N -8.56 4.38 -0.13 5.20 2.96 -1.12 -4.84 118.68 116.57 3gfg s LEU 230 Ca -0.10 1.91 0.02 0.00 -0.22 0.00 0.00 54.13 55.74 3gfg s LEU 230 Cb 0.10 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.22 3gfg s LEU 230 CO 0.90 -0.38 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.24 3gfg s GLN 231 N 0.90 2.88 -0.24 1.98 -1.52 -0.17 -1.48 119.66 122.00 3gfg s GLN 231 Ca 0.56 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 53.11 3gfg s GLN 231 Cb -0.27 -2.34 -0.01 0.00 -0.22 0.00 0.00 33.01 30.17 3gfg s GLN 231 CO 0.29 -0.03 0.01 0.00 -0.25 0.00 0.00 175.29 175.32 3gfg s ALA 232 N 0.85 2.94 -0.19 6.09 0.00 -0.77 -0.81 121.76 129.88 3gfg s ALA 232 Ca -0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 3gfg s ALA 232 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3gfg s ALA 232 CO -0.02 -0.58 -0.08 0.42 0.00 0.00 0.00 175.76 175.50 3gfg s ILE 233 N 1.50 3.22 -0.10 0.00 -1.09 0.35 0.17 121.20 125.25 3gfg s ILE 233 Ca 0.05 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 3gfg s ILE 233 Cb -0.15 -2.42 0.02 0.00 -1.58 0.00 0.00 42.46 38.32 3gfg s ILE 233 CO -0.01 0.46 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.30 3gfg s LEU 234 N 1.09 1.51 0.17 2.97 1.43 0.03 -0.68 118.68 125.20 3gfg s LEU 234 Ca 0.01 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 3gfg s LEU 234 Cb -0.15 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.19 3gfg s LEU 234 CO -0.01 -0.03 0.43 -0.72 0.23 0.00 0.00 176.35 176.25 3gfg s TYR 235 N 1.13 0.01 -0.26 0.29 -0.85 -0.72 -0.27 117.35 116.69 3gfg s TYR 235 Ca -0.05 -0.36 -0.26 0.00 -0.52 0.00 0.00 57.07 55.88 3gfg s TYR 235 Cb -0.14 0.24 0.14 0.00 0.38 0.00 0.00 41.96 42.57 3gfg s TYR 235 CO -0.02 -0.82 1.10 0.20 -1.52 0.00 0.00 175.55 174.49 3gfg s GLY 236 N -2.89 -0.08 0.50 5.49 0.00 -0.17 0.43 107.32 110.60 3gfg s GLY 236 Ca 0.10 2.70 0.01 0.00 0.00 0.00 0.00 44.72 47.54 3gfg s GLY 236 CO -0.04 1.69 0.03 -0.32 0.00 0.00 0.00 173.10 174.46 3gfg s GLY 237 N -0.08 2.99 0.00 0.20 0.00 -1.26 -0.96 107.32 108.21 3gfg s GLY 237 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3gfg s GLY 237 CO -0.06 -2.13 0.26 1.44 0.00 0.00 0.00 173.10 172.60 3gfg n SER 238 N -1.30 0.52 -3.11 1.64 7.64 -1.11 -1.34 113.62 116.57 3gfg n SER 238 Ca -0.17 -0.76 -0.28 0.00 1.01 0.00 0.00 58.87 58.67 3gfg n SER 238 Cb 0.67 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.47 2.99 -3.90 0.44 5.41 -1.23 0.66 119.36 123.26 3gfg n ILE 239 Ca 0.00 -5.50 -0.30 0.00 1.00 0.00 0.00 62.75 57.94 3gfg n ILE 239 Cb 0.00 -1.61 -0.15 0.00 -0.71 0.00 0.00 39.64 37.17 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 -3.89 1.76 0.33 1.39 1.01 -0.86 -5.01 120.40 115.12 3gfg s VAL 240 Ca 0.46 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 60.37 3gfg s VAL 240 Cb 0.24 -2.30 0.26 0.00 0.00 0.00 0.00 36.38 34.57 3gfg s VAL 240 CO -0.10 -0.65 1.99 -0.65 0.00 0.00 0.00 175.10 175.69 3gfg h PRO 241 N 7.68 0.92 -3.44 2.72 0.11 -1.95 -3.32 132.00 134.71 3gfg h PRO 241 Ca -0.07 -0.06 -0.34 0.00 0.11 0.00 0.00 66.00 65.64 3gfg h PRO 241 Cb 1.01 -0.20 -0.36 0.00 0.11 0.00 0.00 31.00 31.55 3gfg h PRO 241 CO 0.51 0.62 -0.74 0.00 -0.21 0.00 0.00 178.00 178.18 3gfg s ALA 242 N -5.77 0.18 0.43 -0.75 0.00 -1.26 -4.96 121.76 109.64 3gfg s ALA 242 Ca -0.11 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 3gfg s ALA 242 Cb 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 3gfg s ALA 242 CO 0.78 -0.29 1.24 -0.80 0.00 0.00 0.00 175.76 176.68 3gfg s ASN 243 N 1.60 6.25 0.00 0.00 0.01 -1.26 -5.07 114.94 116.46 3gfg s ASN 243 Ca -0.02 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 3gfg s ASN 243 Cb -0.13 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3gfg s ASN 243 CO -0.03 -0.88 0.00 0.61 -1.51 0.00 0.00 177.10 175.29 3gfg n GLY 244 N 0.62 -0.34 3.75 0.66 0.00 -1.26 -4.99 105.19 103.63 3gfg n GLY 244 Ca 0.05 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 3gfg n GLY 244 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gfg s PRO 245 N 0.24 3.05 0.15 1.61 0.04 -1.26 -4.77 135.00 134.05 3gfg s PRO 245 Ca 0.00 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 3gfg s PRO 245 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3gfg s PRO 245 CO 0.00 -1.17 1.39 -0.09 0.04 0.00 0.00 177.00 177.16 3gfg h ARG 246 N 1.10 0.57 -4.92 4.56 2.43 -0.97 -3.39 114.38 113.75 3gfg h ARG 246 Ca -0.50 -0.46 -0.52 0.00 -0.81 0.00 0.00 59.98 57.68 3gfg h ARG 246 Cb 1.30 0.09 -0.32 0.00 -0.42 0.00 0.00 29.97 30.62 3gfg h ARG 246 CO 0.56 1.08 -0.82 0.71 -1.51 0.00 0.00 179.97 179.99 3gfg s TYR 247 N -3.69 1.51 -0.15 2.20 2.02 -0.86 -1.54 117.35 116.84 3gfg s TYR 247 Ca -0.08 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3gfg s TYR 247 Cb 0.10 -1.05 0.04 0.00 -0.40 0.00 0.00 41.96 40.65 3gfg s TYR 247 CO 0.87 -0.20 -0.05 -0.65 -1.57 0.00 0.00 175.55 173.95 3gfg s GLN 248 N 0.28 1.39 -0.11 -0.62 -0.21 0.36 -1.63 119.66 119.12 3gfg s GLN 248 Ca -0.08 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 54.89 3gfg s GLN 248 Cb -0.12 -1.88 0.02 0.00 1.00 0.00 0.00 33.01 32.02 3gfg s GLN 248 CO 0.03 -0.40 -0.15 0.42 -2.12 0.00 0.00 175.29 173.06 3gfg s ILE 249 N 1.67 1.51 -0.07 1.08 1.01 0.40 -0.83 121.20 125.98 3gfg s ILE 249 Ca 0.02 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3gfg s ILE 249 Cb -0.15 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3gfg s ILE 249 CO -0.08 0.44 -0.24 -1.00 0.00 0.00 0.00 174.94 174.06 3gfg s HIS 250 N 1.02 2.42 0.00 3.97 3.76 -0.11 -0.74 115.29 125.61 3gfg s HIS 250 Ca -0.06 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 3gfg s HIS 250 Cb -0.15 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.94 3gfg s HIS 250 CO -0.02 -0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 3gfg n GLY 251 N 3.12 4.25 0.35 -2.22 0.00 -0.05 0.27 105.19 110.91 3gfg n GLY 251 Ca -0.18 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 0.17 0.00 1.61 2.10 -0.98 -3.31 116.57 116.16 3gfg h LYS 252 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3gfg h LYS 252 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3gfg h LYS 252 CO 0.00 0.11 -0.08 -0.40 -2.00 0.00 0.00 179.45 177.08 3gfg n ASP 253 N -4.44 0.00 -3.83 7.07 5.68 -1.26 -5.04 116.55 114.72 3gfg n ASP 253 Ca 0.08 -1.17 -0.10 0.00 -0.50 0.00 0.00 54.79 53.10 3gfg n ASP 253 Cb 0.43 -0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gfg s SER 254 N -0.17 0.02 0.13 -1.12 1.04 -1.25 0.27 113.70 112.62 3gfg s SER 254 Ca 0.00 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.10 3gfg s SER 254 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3gfg s SER 254 CO 0.00 -0.60 -0.15 -0.44 0.98 0.00 0.00 173.24 173.03 3gfg s SER 255 N -2.23 2.16 -0.13 7.02 0.01 0.14 -0.87 113.70 119.79 3gfg s SER 255 Ca -0.03 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 3gfg s SER 255 Cb 0.00 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.17 3gfg s SER 255 CO -0.05 -0.10 -0.06 0.12 0.41 0.00 0.00 173.24 173.56 3gfg s PHE 256 N -1.98 1.45 -0.16 2.43 5.36 0.08 -0.81 117.98 124.35 3gfg s PHE 256 Ca 0.09 -0.78 -0.01 0.00 -0.96 0.00 0.00 56.93 55.27 3gfg s PHE 256 Cb -0.06 -1.21 -0.01 0.00 -0.34 0.00 0.00 43.02 41.41 3gfg s PHE 256 CO 0.04 -0.53 -0.12 0.42 -1.46 0.00 0.00 175.22 173.57 3gfg s ILE 257 N 1.72 2.97 -0.03 3.12 -1.09 -0.70 -0.45 121.20 126.75 3gfg s ILE 257 Ca 0.04 -0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3gfg s ILE 257 Cb -0.13 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 3gfg s ILE 257 CO -0.08 0.50 0.05 -0.75 -1.23 0.00 0.00 174.94 173.43 3gfg s LYS 258 N 0.73 0.01 0.39 2.79 2.20 -0.64 -0.46 119.74 124.76 3gfg s LYS 258 Ca -0.05 0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 3gfg s LYS 258 Cb -0.15 -0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.00 3gfg s LYS 258 CO 0.01 -0.12 0.57 0.71 -0.36 0.00 0.00 175.35 176.16 3gfg s TYR 259 N 0.78 3.19 0.00 4.03 2.02 -1.26 -0.36 117.35 125.74 3gfg s TYR 259 Ca -0.06 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3gfg s TYR 259 Cb -0.09 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3gfg s TYR 259 CO -0.03 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 3gfg n GLY 260 N -1.86 0.37 3.12 0.71 0.00 -1.26 -4.78 105.19 101.50 3gfg n GLY 260 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 3gfg n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gfg s ILE 261 N -1.25 0.79 0.27 -0.61 2.07 -1.26 -4.72 121.20 116.49 3gfg s ILE 261 Ca 0.00 -1.31 -0.31 0.00 -1.41 0.00 0.00 60.65 57.62 3gfg s ILE 261 Cb 0.00 -0.96 -0.12 0.00 0.13 0.00 0.00 42.46 41.51 3gfg s ILE 261 CO 0.00 -0.41 1.55 -0.67 -1.91 0.00 0.00 174.94 173.51 3gfg n ASP 262 N 1.13 3.56 -0.54 4.50 2.03 -1.26 -4.92 116.55 121.06 3gfg n ASP 262 Ca -0.20 1.14 0.12 0.00 0.52 0.00 0.00 54.79 56.36 3gfg n ASP 262 Cb 0.55 -1.55 0.42 0.00 -0.72 0.00 0.00 41.12 39.83 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 2.28 0.22 0.23 0.27 0.00 -1.26 -4.46 105.19 102.47 3gfg n GLY 263 Ca 0.10 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 2.30 0.75 -0.57 1.61 4.20 -1.93 -1.52 115.11 119.96 3gfg h GLN 264 Ca 0.00 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.64 3gfg h GLN 264 Cb 0.50 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3gfg h GLN 264 CO 0.00 0.62 0.33 0.93 -0.67 0.00 0.00 178.83 180.04 3gfg h GLU 265 N 0.70 0.63 -0.59 1.46 5.08 -2.00 -0.63 114.58 119.23 3gfg h GLU 265 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3gfg h GLU 265 Cb 0.11 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3gfg h GLU 265 CO -0.02 0.42 0.34 -0.44 -1.00 0.00 0.00 179.01 178.30 3gfg h ASP 266 N 0.65 0.72 -0.76 1.42 3.32 -1.75 0.11 116.42 120.13 3gfg h ASP 266 Ca 0.24 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.25 3gfg h ASP 266 Cb 0.07 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3gfg h ASP 266 CO -0.13 0.59 0.48 0.00 -1.72 0.00 0.00 179.24 178.46 3gfg h ALA 267 N 1.16 1.00 -0.14 3.45 0.00 -1.10 0.13 119.26 123.76 3gfg h ALA 267 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3gfg h ALA 267 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gfg h ALA 267 CO -0.04 0.28 0.07 -0.07 0.00 0.00 0.00 179.25 179.49 3gfg h LEU 268 N 0.94 0.18 -1.75 0.00 3.38 -0.25 -1.10 115.31 116.71 3gfg h LEU 268 Ca 0.30 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.23 3gfg h LEU 268 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3gfg h LEU 268 CO -0.11 0.26 0.33 0.03 0.09 0.00 0.00 178.44 179.04 3gfg h ARG 269 N 0.09 0.28 0.00 1.13 3.08 -0.50 -0.09 114.38 118.38 3gfg h ARG 269 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gfg h ARG 269 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3gfg h ARG 269 CO -0.01 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 3gfg n ALA 270 N -2.54 2.49 -1.02 0.04 0.00 0.41 -4.86 120.51 115.03 3gfg n ALA 270 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 3gfg n ALA 270 Cb 0.34 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.52 0.43 3.84 0.00 0.00 -0.05 -5.03 105.19 104.91 3gfg n GLY 271 Ca 0.03 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.79 4.07 0.24 1.61 0.52 -0.46 -5.02 118.95 119.13 3gfg s ARG 272 Ca 0.00 0.69 0.10 0.00 -0.52 0.00 0.00 55.73 56.00 3gfg s ARG 272 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3gfg s ARG 272 CO 0.00 0.29 -0.08 0.15 0.02 0.00 0.00 175.30 175.68 3gfg s LYS 273 N -2.50 2.08 0.08 3.54 1.02 -1.26 -4.16 119.74 118.53 3gfg s LYS 273 Ca 0.48 -1.43 -0.31 0.00 0.02 0.00 0.00 55.97 54.73 3gfg s LYS 273 Cb -0.13 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 3gfg s LYS 273 CO 0.19 0.38 1.20 -1.25 -0.92 0.00 0.00 175.35 174.96 3gfg s PRO 274 N -3.34 4.44 0.00 -1.68 0.04 -1.26 -4.82 135.00 128.38 3gfg s PRO 274 Ca 0.29 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3gfg s PRO 274 Cb -0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3gfg s PRO 274 CO 0.17 -0.24 0.00 -0.85 0.04 0.00 0.00 177.00 176.12 3gfg n GLU 275 N 3.77 0.67 -3.00 4.56 0.28 -1.26 -4.95 120.64 120.71 3gfg n GLU 275 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.00 3gfg n GLU 275 Cb 0.46 -0.06 -0.02 0.00 1.43 0.00 0.00 31.44 33.26 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3gfg n ASP 276 N 0.00 -0.83 -0.09 -1.84 3.85 -1.26 -5.06 116.55 111.31 3gfg n ASP 276 Ca 0.00 -2.13 0.14 0.00 -0.71 0.00 0.00 54.79 52.09 3gfg n ASP 276 Cb 0.00 1.55 0.64 0.00 -1.35 0.00 0.00 41.12 41.96 3gfg n ASP 276 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3gfg n ASP 277 N -1.81 0.38 0.10 -1.12 8.00 -1.26 -2.98 116.55 117.86 3gfg n ASP 277 Ca 0.00 -0.50 0.11 0.00 0.71 0.00 0.00 54.79 55.11 3gfg n ASP 277 Cb 0.35 -0.11 0.45 0.00 -0.02 0.00 0.00 41.12 41.80 3gfg n ASP 277 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gfg n SER 278 N -1.02 0.53 -4.71 -2.24 3.41 -1.26 -4.83 113.62 103.50 3gfg n SER 278 Ca 0.14 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.96 3gfg n SER 278 Cb 0.27 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.24 2.81 0.00 7.33 -0.11 -1.16 -2.43 118.94 122.13 3gfg s TRP 279 Ca 0.05 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.72 3gfg s TRP 279 Cb 0.09 -4.09 0.00 0.00 -1.50 0.00 0.00 33.47 27.97 3gfg s TRP 279 CO 0.37 -4.18 0.00 0.41 -4.62 0.00 0.00 176.95 168.94 3gfg n GLY 280 N 3.97 0.67 3.77 5.86 0.00 -1.26 -4.34 105.19 113.85 3gfg n GLY 280 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.40 3.38 0.61 4.61 0.00 -1.02 -1.13 121.76 125.81 3gfg s ALA 281 Ca 0.00 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 3gfg s ALA 281 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3gfg s ALA 281 CO 0.00 -0.71 0.94 0.34 0.00 0.00 0.00 175.76 176.33 3gfg s ASP 282 N -0.62 5.69 -0.12 0.00 -1.08 -1.26 -4.75 116.67 114.53 3gfg s ASP 282 Ca 0.53 0.90 -0.18 0.00 -0.52 0.00 0.00 52.55 53.27 3gfg s ASP 282 Cb -0.39 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.14 3gfg s ASP 282 CO 0.51 -1.05 0.47 -0.69 0.52 0.00 0.00 175.17 174.92 3gfg s VAL 283 N -3.06 5.19 0.50 1.11 1.01 -1.26 -4.98 120.40 118.91 3gfg s VAL 283 Ca 0.54 0.93 0.22 0.00 0.00 0.00 0.00 61.98 63.67 3gfg s VAL 283 Cb -0.11 -3.81 0.38 0.00 0.00 0.00 0.00 36.38 32.85 3gfg s VAL 283 CO 0.47 0.33 1.98 -0.65 0.00 0.00 0.00 175.10 177.23 3gfg h PRO 284 N 6.75 0.12 0.00 2.72 0.11 -1.99 0.18 132.00 139.89 3gfg h PRO 284 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gfg h PRO 284 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gfg h PRO 284 CO 0.76 0.08 0.00 0.93 -0.21 0.00 0.00 178.00 179.56 3gfg h GLU 285 N 0.13 0.00 -0.51 1.05 3.07 -2.02 -2.30 114.58 113.99 3gfg h GLU 285 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3gfg h GLU 285 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3gfg h GLU 285 CO -0.04 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.76 3gfg n PHE 286 N -2.78 0.68 -1.92 4.33 3.72 0.62 -4.97 117.46 117.13 3gfg n PHE 286 Ca -0.00 -0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 56.58 3gfg n PHE 286 Cb 0.20 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.12 2.77 0.71 1.38 2.02 -0.87 -4.33 117.35 117.92 3gfg s TYR 287 Ca 0.38 1.22 -0.16 0.00 -0.37 0.00 0.00 57.07 58.14 3gfg s TYR 287 Cb 0.21 -3.90 0.03 0.00 -0.40 0.00 0.00 41.96 37.89 3gfg s TYR 287 CO 0.27 -2.64 1.24 0.20 -1.57 0.00 0.00 175.55 173.06 3gfg s GLY 288 N -0.19 2.52 -0.21 0.71 0.00 -1.24 -4.77 107.32 104.15 3gfg s GLY 288 Ca 0.52 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 46.21 3gfg s GLY 288 CO 0.58 1.44 0.00 0.54 0.00 0.00 0.00 173.10 175.66 3gfg s LYS 289 N -3.73 3.59 -0.31 2.90 1.02 0.39 -0.75 119.74 122.85 3gfg s LYS 289 Ca 0.78 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 56.14 3gfg s LYS 289 Cb -0.33 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 3gfg s LYS 289 CO 0.44 -0.04 0.17 -1.17 -0.92 0.00 0.00 175.35 173.83 3gfg s LEU 290 N 1.14 4.18 -0.20 3.17 2.96 0.26 -1.71 118.68 128.49 3gfg s LEU 290 Ca 0.03 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3gfg s LEU 290 Cb -0.14 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3gfg s LEU 290 CO 0.01 -0.19 0.12 -0.89 -1.32 0.00 0.00 176.35 174.08 3gfg s THR 291 N 1.65 5.26 -0.07 3.68 2.01 0.01 -1.23 115.64 126.96 3gfg s THR 291 Ca 0.05 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.21 3gfg s THR 291 Cb -0.17 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 68.95 3gfg s THR 291 CO 0.08 0.43 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.42 3gfg s THR 292 N 0.47 1.21 -0.17 -0.82 2.01 -0.59 -0.69 115.64 117.05 3gfg s THR 292 Ca 0.07 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 3gfg s THR 292 Cb -0.12 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 3gfg s THR 292 CO -0.01 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.57 3gfg s ILE 293 N 0.67 3.12 -0.32 1.82 1.01 0.14 -1.94 121.20 125.70 3gfg s ILE 293 Ca -0.14 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3gfg s ILE 293 Cb -0.16 -2.36 0.10 0.00 0.01 0.00 0.00 42.46 40.06 3gfg s ILE 293 CO 0.04 0.48 0.11 -0.13 0.00 0.00 0.00 174.94 175.44 3gfg s ARG 294 N 0.89 0.73 7.91 2.79 3.00 0.67 -4.81 118.95 130.13 3gfg s ARG 294 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 55.73 54.58 3gfg s ARG 294 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 32.83 3gfg s ARG 294 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 175.30 174.71 3gfg n GLY 295 N 4.76 3.67 0.52 -3.53 0.00 -1.26 -2.01 105.19 107.34 3gfg n GLY 295 Ca -0.01 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 8.39 1.56 -4.65 1.61 3.41 -1.26 -4.91 113.62 117.76 3gfg n SER 296 Ca 0.00 -1.68 -0.35 0.00 -0.26 0.00 0.00 58.87 56.59 3gfg n SER 296 Cb 0.00 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 3gfg n SER 296 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gfg s ASP 297 N -1.60 5.13 -0.06 4.04 -0.00 -0.85 -5.10 116.67 118.23 3gfg s ASP 297 Ca 0.32 0.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 3gfg s ASP 297 Cb 0.17 -1.48 0.02 0.00 -0.00 0.00 0.00 42.92 41.64 3gfg s ASP 297 CO 0.27 0.35 -0.03 -0.75 -0.00 0.00 0.00 175.17 175.00 3gfg s LYS 298 N -0.70 0.77 0.24 8.23 2.20 -1.26 -0.24 119.74 128.99 3gfg s LYS 298 Ca 0.11 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.75 3gfg s LYS 298 Cb -0.12 -0.90 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 3gfg s LYS 298 CO 0.02 -0.16 -0.08 -1.59 -0.36 0.00 0.00 175.35 173.18 3gfg s LYS 299 N 1.29 1.42 -0.01 4.03 -2.85 -0.82 -5.00 119.74 117.80 3gfg s LYS 299 Ca -0.05 -1.69 0.01 0.00 -1.00 0.00 0.00 55.97 53.24 3gfg s LYS 299 Cb -0.14 -1.03 0.01 0.00 -2.06 0.00 0.00 37.83 34.61 3gfg s LYS 299 CO -0.02 0.06 -0.03 0.99 0.10 0.00 0.00 175.35 176.46 3gfg s THR 300 N -3.08 0.28 -0.01 3.79 2.01 -1.26 -1.55 115.64 115.81 3gfg s THR 300 Ca 0.26 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.19 3gfg s THR 300 Cb 0.03 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.27 3gfg s THR 300 CO 0.09 0.11 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.42 3gfg s GLU 301 N 0.32 0.27 -0.20 4.92 2.12 -0.36 -4.98 118.70 120.79 3gfg s GLU 301 Ca -0.03 -0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.09 3gfg s GLU 301 Cb -0.06 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 3gfg s GLU 301 CO -0.01 -0.02 0.51 0.99 -0.54 0.00 0.00 175.26 176.19 3gfg s THR 302 N 0.42 5.11 -0.28 -1.70 2.01 -1.26 -0.57 115.64 119.36 3gfg s THR 302 Ca -0.04 0.94 -0.12 0.00 0.31 0.00 0.00 61.69 62.78 3gfg s THR 302 Cb -0.07 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3gfg s THR 302 CO -0.01 0.18 0.23 -0.63 -0.69 0.00 0.00 174.62 173.71 3gfg s ILE 303 N 1.60 5.28 0.15 1.82 -1.09 0.07 -4.98 121.20 124.05 3gfg s ILE 303 Ca 0.24 0.22 -0.31 0.00 -2.23 0.00 0.00 60.65 58.56 3gfg s ILE 303 Cb -0.15 -3.58 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 3gfg s ILE 303 CO 0.10 0.20 1.52 -2.84 -1.23 0.00 0.00 174.94 172.69 3gfg s PRO 304 N 1.82 4.24 0.46 2.79 0.02 -1.26 -3.72 135.00 139.36 3gfg s PRO 304 Ca 0.09 2.28 -0.23 0.00 0.02 0.00 0.00 61.00 63.16 3gfg s PRO 304 Cb -0.16 -3.18 -0.07 0.00 0.02 0.00 0.00 34.50 31.11 3gfg s PRO 304 CO 0.11 -0.56 1.18 -1.12 -0.33 0.00 0.00 177.00 176.28 3gfg s SER 305 N 1.13 6.11 0.11 2.53 0.01 -1.26 -4.99 113.70 117.33 3gfg s SER 305 Ca 0.68 2.35 -0.30 0.00 1.31 0.00 0.00 55.95 59.99 3gfg s SER 305 Cb -0.42 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.15 3gfg s SER 305 CO 0.31 -0.96 1.08 -0.69 0.41 0.00 0.00 173.24 173.39 3gfg s VAL 306 N -1.52 4.19 0.22 3.43 1.01 -1.26 -4.78 120.40 121.69 3gfg s VAL 306 Ca 0.64 1.73 -0.32 0.00 0.00 0.00 0.00 61.98 64.03 3gfg s VAL 306 Cb -0.30 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 3gfg s VAL 306 CO 0.36 0.23 1.59 0.59 0.00 0.00 0.00 175.10 177.87 3gfg n ASN 307 N 3.07 3.45 -4.62 3.32 4.13 -1.26 -4.31 115.26 119.04 3gfg n ASN 307 Ca 0.05 1.10 -0.34 0.00 1.68 0.00 0.00 54.58 57.07 3gfg n ASN 307 Cb 0.48 -1.50 0.12 0.00 -1.54 0.00 0.00 39.78 37.33 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 3.07 -0.51 2.72 7.41 0.00 -0.28 -4.71 105.19 112.89 3gfg n GLY 308 Ca 0.14 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.60 -2.29 0.22 1.61 2.88 -0.24 -4.12 113.62 109.09 3gfg n SER 309 Ca 0.12 -3.24 0.16 0.00 -1.33 0.00 0.00 58.87 54.58 3gfg n SER 309 Cb 0.51 1.73 0.83 0.00 -0.75 0.00 0.00 64.21 66.53 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 3.17 0.00 -0.49 0.66 0.05 -1.89 -2.38 116.97 116.09 3gfg h TYR 310 Ca -0.15 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.70 3gfg h TYR 310 Cb 1.10 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.82 3gfg h TYR 310 CO 0.15 0.00 0.33 -0.07 -1.05 0.00 0.00 178.16 177.52 3gfg h LEU 311 N 0.00 0.33 -1.54 3.88 3.38 -1.96 -2.50 115.31 116.91 3gfg h LEU 311 Ca 0.06 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.18 3gfg h LEU 311 Cb 0.34 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3gfg h LEU 311 CO -0.00 0.21 0.51 0.74 0.09 0.00 0.00 178.44 179.99 3gfg h THR 312 N 0.38 0.81 -0.14 0.22 2.02 -1.85 -0.61 112.91 113.73 3gfg h THR 312 Ca 0.22 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3gfg h THR 312 Cb 0.37 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3gfg h THR 312 CO -0.05 0.08 0.08 0.22 0.37 0.00 0.00 175.52 176.22 3gfg h TYR 313 N 0.46 0.20 -0.06 3.16 3.20 -1.64 -1.27 116.97 121.02 3gfg h TYR 313 Ca 0.38 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.07 3gfg h TYR 313 Cb 0.81 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3gfg h TYR 313 CO -0.00 0.21 -0.68 1.88 -1.64 0.00 0.00 178.16 177.93 3gfg h TYR 314 N 0.13 0.38 -0.56 -3.82 0.05 -1.51 -1.89 116.97 109.74 3gfg h TYR 314 Ca 0.05 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.72 3gfg h TYR 314 Cb 0.08 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 3gfg h TYR 314 CO -0.04 0.88 0.29 0.00 -1.05 0.00 0.00 178.16 178.24 3gfg h ARG 315 N 0.20 0.53 -0.09 4.88 3.08 -1.05 -1.26 114.38 120.68 3gfg h ARG 315 Ca -0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3gfg h ARG 315 Cb 1.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3gfg h ARG 315 CO 0.11 0.35 -0.39 0.87 -1.07 0.00 0.00 179.97 179.84 3gfg h LYS 316 N 0.55 0.18 -0.06 0.04 1.57 -1.10 -1.88 116.57 115.87 3gfg h LYS 316 Ca 0.25 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3gfg h LYS 316 Cb 0.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3gfg h LYS 316 CO -0.18 0.55 0.00 0.82 -0.57 0.00 0.00 179.45 180.08 3gfg h ILE 317 N 0.16 1.23 -0.92 1.86 1.08 -1.00 -1.83 117.51 118.10 3gfg h ILE 317 Ca 0.02 -0.71 0.15 0.00 -0.39 0.00 0.00 64.86 63.93 3gfg h ILE 317 Cb 0.76 1.60 -0.10 0.00 -3.07 0.00 0.00 36.82 36.02 3gfg h ILE 317 CO 0.06 0.20 0.52 0.00 -0.69 0.00 0.00 178.15 178.23 3gfg h ALA 318 N 0.74 1.42 0.00 1.87 0.00 -1.01 0.07 119.26 122.36 3gfg h ALA 318 Ca 0.02 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3gfg h ALA 318 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gfg h ALA 318 CO 0.00 -0.03 -0.54 0.93 0.00 0.00 0.00 179.25 179.62 3gfg h GLU 319 N 0.72 0.00 -0.11 0.00 5.08 -1.18 -1.42 114.58 117.68 3gfg h GLU 319 Ca 0.50 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.75 3gfg h GLU 319 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3gfg h GLU 319 CO -0.35 0.54 -0.38 0.77 -1.00 0.00 0.00 179.01 178.59 3gfg h SER 320 N 0.00 0.52 -0.29 1.42 0.02 -0.26 0.23 113.55 115.19 3gfg h SER 320 Ca -0.01 -0.62 -0.09 0.00 -0.84 0.00 0.00 61.79 60.24 3gfg h SER 320 Cb 0.97 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3gfg h SER 320 CO 0.07 1.05 -0.11 0.40 -1.14 0.00 0.00 176.83 177.10 3gfg h ILE 321 N 0.02 1.25 0.06 3.27 2.04 -0.96 -2.44 117.51 120.75 3gfg h ILE 321 Ca -0.02 -1.13 -0.35 0.00 1.00 0.00 0.00 64.86 64.35 3gfg h ILE 321 Cb 1.01 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3gfg h ILE 321 CO 0.08 0.38 -2.08 0.54 0.00 0.00 0.00 178.15 177.07 3gfg n ARG 322 N -4.17 0.70 -0.03 2.37 1.74 -0.54 -4.62 116.66 112.11 3gfg n ARG 322 Ca 0.01 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 3gfg n ARG 322 Cb 0.35 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gfg n GLU 323 N -3.26 2.20 -2.22 5.56 -0.58 0.06 -5.00 120.64 117.40 3gfg n GLU 323 Ca -0.32 -1.62 -0.18 0.00 -0.42 0.00 0.00 57.16 54.62 3gfg n GLU 323 Cb 1.05 -1.04 -0.02 0.00 -0.57 0.00 0.00 31.44 30.86 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 -0.64 -0.05 3.79 0.62 0.00 -0.92 -4.96 105.19 103.03 3gfg n GLY 324 Ca 0.04 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.86 2.80 0.19 4.61 0.00 -1.15 -4.96 121.76 120.40 3gfg s ALA 325 Ca 0.00 0.60 -0.33 0.00 0.00 0.00 0.00 51.96 52.24 3gfg s ALA 325 Cb 0.00 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 3gfg s ALA 325 CO 0.00 -0.52 1.36 0.00 0.00 0.00 0.00 175.76 176.61 3gfg n ALA 326 N -1.27 0.44 -1.73 0.00 0.00 -1.26 -4.28 120.51 112.40 3gfg n ALA 326 Ca 0.10 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 3gfg n ALA 326 Cb 0.52 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.84 3gfg n ALA 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfg s LEU 327 N 0.42 3.62 0.15 0.00 1.43 -1.26 -4.82 118.68 118.22 3gfg s LEU 327 Ca 0.73 2.67 -0.12 0.00 -1.03 0.00 0.00 54.13 56.37 3gfg s LEU 327 Cb -0.74 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 40.95 3gfg s LEU 327 CO 0.48 -1.96 1.63 1.55 0.23 0.00 0.00 176.35 178.28 3gfg h PRO 328 N 0.69 0.86 -4.37 1.29 0.13 -1.88 -3.41 132.00 125.30 3gfg h PRO 328 Ca -0.51 -0.24 -0.49 0.00 -0.87 0.00 0.00 66.00 63.89 3gfg h PRO 328 Cb 1.33 -0.09 -0.34 0.00 0.13 0.00 0.00 31.00 32.03 3gfg h PRO 328 CO 0.54 0.86 -0.80 0.08 -0.23 0.00 0.00 178.00 178.45 3gfg s VAL 329 N -5.13 0.97 0.38 1.56 1.01 -1.26 -5.11 120.40 112.81 3gfg s VAL 329 Ca -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3gfg s VAL 329 Cb 0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3gfg s VAL 329 CO 0.81 0.32 0.64 0.42 0.00 0.00 0.00 175.10 177.29 3gfg s THR 330 N 0.87 5.01 0.26 3.92 -4.23 -1.26 -3.95 115.64 116.26 3gfg s THR 330 Ca -0.11 -0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3gfg s THR 330 Cb -0.15 -3.83 0.24 0.00 1.34 0.00 0.00 72.50 70.10 3gfg s THR 330 CO 0.01 -0.60 1.82 0.00 -0.54 0.00 0.00 174.62 175.32 3gfg h ALA 331 N 0.82 1.29 -0.81 3.99 0.00 -1.92 -1.72 119.26 120.91 3gfg h ALA 331 Ca -0.48 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3gfg h ALA 331 Cb 1.21 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3gfg h ALA 331 CO 0.63 0.15 0.51 1.49 0.00 0.00 0.00 179.25 182.03 3gfg h GLU 332 N 0.87 0.93 -0.56 0.00 4.57 -1.95 0.11 114.58 118.56 3gfg h GLU 332 Ca 0.43 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.53 3gfg h GLU 332 Cb 0.40 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3gfg h GLU 332 CO -0.25 0.62 0.26 0.93 -1.18 0.00 0.00 179.01 179.39 3gfg h GLU 333 N 0.96 0.80 -0.64 1.92 5.08 -1.80 0.33 114.58 121.24 3gfg h GLU 333 Ca 0.34 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3gfg h GLU 333 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3gfg h GLU 333 CO -0.14 0.66 0.28 0.78 -1.00 0.00 0.00 179.01 179.59 3gfg h GLY 334 N 0.75 0.99 1.35 -3.84 0.00 -0.91 -2.67 103.07 98.73 3gfg h GLY 334 Ca 0.19 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 3gfg h GLY 334 CO -0.02 0.46 -0.34 -2.22 0.00 0.00 0.00 176.54 174.42 3gfg h ILE 335 N 0.91 1.28 -0.21 2.60 2.04 -0.25 -2.97 117.51 120.91 3gfg h ILE 335 Ca 0.22 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3gfg h ILE 335 Cb 0.14 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gfg h ILE 335 CO -0.02 0.49 -0.05 0.78 0.00 0.00 0.00 178.15 179.34 3gfg h ASN 336 N 0.61 0.30 -0.39 1.72 2.35 -0.64 -0.71 115.58 118.82 3gfg h ASN 336 Ca 0.06 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3gfg h ASN 336 Cb 0.87 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3gfg h ASN 336 CO 0.08 0.39 0.26 0.58 -1.65 0.00 0.00 177.43 177.09 3gfg h VAL 337 N 0.31 1.09 -0.45 2.81 2.07 -1.33 -2.58 116.25 118.17 3gfg h VAL 337 Ca 0.07 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3gfg h VAL 337 Cb 0.29 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3gfg h VAL 337 CO 0.01 0.10 -0.03 0.40 0.02 0.00 0.00 177.57 178.07 3gfg h ILE 338 N 0.52 1.24 -0.82 4.57 1.08 -1.28 -1.42 117.51 121.40 3gfg h ILE 338 Ca 0.15 -1.02 0.04 0.00 -0.39 0.00 0.00 64.86 63.64 3gfg h ILE 338 Cb -0.05 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 3gfg h ILE 338 CO -0.04 0.36 0.52 0.03 -0.69 0.00 0.00 178.15 178.33 3gfg h ARG 339 N 0.70 0.96 -0.49 2.37 3.08 -0.97 -0.24 114.38 119.79 3gfg h ARG 339 Ca 0.13 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3gfg h ARG 339 Cb 0.47 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3gfg h ARG 339 CO 0.02 0.64 -0.00 0.82 -1.07 0.00 0.00 179.97 180.38 3gfg h ILE 340 N 0.99 1.26 -0.47 2.04 1.08 -1.05 -0.64 117.51 120.72 3gfg h ILE 340 Ca 0.34 -1.08 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3gfg h ILE 340 Cb 0.06 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3gfg h ILE 340 CO -0.13 0.38 0.28 0.40 -0.69 0.00 0.00 178.15 178.38 3gfg h ILE 341 N 0.73 1.15 -0.07 -0.67 2.04 -0.77 0.22 117.51 120.14 3gfg h ILE 341 Ca 0.14 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 3gfg h ILE 341 Cb 0.52 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3gfg h ILE 341 CO 0.03 0.16 -0.53 -0.33 0.00 0.00 0.00 178.15 177.47 3gfg h GLU 342 N 0.63 0.21 -0.42 2.37 5.08 -0.92 -0.54 114.58 120.99 3gfg h GLU 342 Ca 0.17 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3gfg h GLU 342 Cb 0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3gfg h GLU 342 CO -0.03 0.69 -0.18 0.00 -1.00 0.00 0.00 179.01 178.49 3gfg h ALA 343 N 1.29 0.90 -0.41 3.43 0.00 -0.71 0.17 119.26 123.93 3gfg h ALA 343 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3gfg h ALA 343 Cb 0.99 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3gfg h ALA 343 CO 0.08 0.63 0.04 0.00 0.00 0.00 0.00 179.25 180.00 3gfg h ALA 344 N 1.09 0.55 -0.30 0.00 0.00 -0.18 0.22 119.26 120.64 3gfg h ALA 344 Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gfg h ALA 344 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3gfg h ALA 344 CO 0.05 0.28 0.12 0.52 0.00 0.00 0.00 179.25 180.22 3gfg h MET 345 N 0.54 0.45 -0.47 0.00 2.07 -0.95 0.82 114.93 117.39 3gfg h MET 345 Ca 0.12 -0.08 -0.03 0.00 -2.07 0.00 0.00 59.70 57.64 3gfg h MET 345 Cb 0.41 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.05 3gfg h MET 345 CO 0.01 0.47 0.19 1.49 1.07 0.00 0.00 176.91 180.14 3gfg h GLU 346 N 0.33 0.69 0.16 1.72 4.57 -0.61 -1.66 114.58 119.79 3gfg h GLU 346 Ca 0.10 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3gfg h GLU 346 Cb 0.19 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3gfg h GLU 346 CO -0.01 0.62 -0.25 1.03 -1.18 0.00 0.00 179.01 179.23 3gfg h SER 347 N 0.61 -0.68 -0.58 1.04 0.87 -0.81 0.87 113.55 114.87 3gfg h SER 347 Ca 0.16 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3gfg h SER 347 Cb 0.18 0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 3gfg h SER 347 CO -0.01 -0.34 0.26 -1.28 -0.53 0.00 0.00 176.83 174.93 3gfg h SER 348 N -0.47 0.34 -0.51 6.23 0.87 -0.61 0.08 113.55 119.48 3gfg h SER 348 Ca 0.02 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 3gfg h SER 348 Cb 0.48 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3gfg h SER 348 CO -0.11 0.22 0.05 0.50 -0.53 0.00 0.00 176.83 176.95 3gfg h LYS 349 N 0.49 0.86 -0.05 2.24 3.64 -1.12 -3.12 116.57 119.51 3gfg h LYS 349 Ca 0.27 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gfg h LYS 349 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3gfg h LYS 349 CO -0.23 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 178.21 3gfg n GLU 350 N -4.37 1.82 -3.78 1.90 -0.58 0.29 -4.94 120.64 110.97 3gfg n GLU 350 Ca 0.01 -1.19 -0.29 0.00 -0.42 0.00 0.00 57.16 55.27 3gfg n GLU 350 Cb 0.28 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.44 -4.81 -3.91 3.49 4.76 -0.02 -4.96 118.16 113.16 3gfg n LYS 351 Ca 0.18 0.57 -0.09 0.00 -2.87 0.00 0.00 58.31 56.09 3gfg n LYS 351 Cb 0.40 -5.41 -0.06 0.00 -1.84 0.00 0.00 35.03 28.12 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 -6.48 1.26 0.22 1.97 1.70 -1.13 -5.07 118.95 111.42 3gfg s ARG 352 Ca 0.60 -1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 3gfg s ARG 352 Cb -0.31 0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 34.41 3gfg s ARG 352 CO 0.74 -0.49 1.04 0.99 -1.08 0.00 0.00 175.30 176.50 3gfg s THR 353 N -3.95 3.88 -0.35 4.99 2.01 -1.26 -4.43 115.64 116.53 3gfg s THR 353 Ca 0.16 1.78 -0.10 0.00 0.31 0.00 0.00 61.69 63.83 3gfg s THR 353 Cb 0.02 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.41 3gfg s THR 353 CO 0.01 0.37 0.19 -0.63 -0.69 0.00 0.00 174.62 173.87 3gfg s ILE 354 N -0.78 4.56 0.32 1.82 -1.09 0.38 -4.96 121.20 121.46 3gfg s ILE 354 Ca 0.45 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 3gfg s ILE 354 Cb -0.28 -3.48 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 3gfg s ILE 354 CO 0.35 -0.13 1.42 -0.04 -1.23 0.00 0.00 174.94 175.31 3gfg s MET 355 N 1.57 4.24 0.12 2.79 -1.94 -1.26 -1.61 119.30 123.20 3gfg s MET 355 Ca 0.03 2.38 -0.18 0.00 -1.71 0.00 0.00 55.69 56.20 3gfg s MET 355 Cb -0.18 -3.05 -0.07 0.00 2.01 0.00 0.00 34.83 33.54 3gfg s MET 355 CO 0.06 -0.39 0.59 -0.51 -0.01 0.00 0.00 175.02 174.77 3gfg s LEU 356 N -1.39 4.45 0.00 -0.03 1.43 0.11 -4.93 118.68 118.32 3gfg s LEU 356 Ca 0.54 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 3gfg s LEU 356 Cb -0.43 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3gfg s LEU 356 CO 0.53 0.19 0.02 -1.84 0.23 0.00 0.00 176.35 175.48