#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg n ARG 9 N 0.00 0.27 -1.70 -0.14 -4.01 -1.26 -5.13 116.66 104.70 3gfg n ARG 9 Ca 0.00 -1.63 -0.43 0.00 -1.04 0.00 0.00 57.85 54.75 3gfg n ARG 9 Cb 0.00 1.27 -0.02 0.00 -3.04 0.00 0.00 32.46 30.68 3gfg n ARG 9 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3gfg n LYS 10 N -0.33 2.26 -2.70 2.89 4.81 -1.26 -4.95 118.16 118.89 3gfg n LYS 10 Ca 0.03 0.80 -0.43 0.00 -0.87 0.00 0.00 58.31 57.84 3gfg n LYS 10 Cb 0.29 -2.47 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 3gfg n LYS 10 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3gfg s VAL 11 N -0.37 4.26 0.11 3.15 -7.23 -1.26 -5.03 120.40 114.03 3gfg s VAL 11 Ca 0.63 0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 61.63 3gfg s VAL 11 Cb -0.58 -4.58 -0.05 0.00 0.56 0.00 0.00 36.38 31.73 3gfg s VAL 11 CO 0.53 -1.07 0.29 -1.81 -0.31 0.00 0.00 175.10 172.73 3gfg s ASP 12 N 2.60 6.41 0.30 4.85 1.01 -1.26 -5.06 116.67 125.52 3gfg s ASP 12 Ca 0.41 0.39 -0.25 0.00 0.71 0.00 0.00 52.55 53.81 3gfg s ASP 12 Cb -0.09 -2.01 -0.15 0.00 1.01 0.00 0.00 42.92 41.68 3gfg s ASP 12 CO 0.27 0.10 0.52 0.35 0.21 0.00 0.00 175.17 176.62 3gfg n THR 13 N 0.09 1.68 -2.24 -1.27 -2.24 -1.26 -4.87 114.28 104.16 3gfg n THR 13 Ca -0.04 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 3gfg n THR 13 Cb 0.52 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.25 3.92 -0.24 2.28 1.01 0.19 -4.73 121.20 122.37 3gfg s ILE 14 Ca 0.62 1.17 -0.27 0.00 0.00 0.00 0.00 60.65 62.17 3gfg s ILE 14 Cb -0.76 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3gfg s ILE 14 CO 0.58 -0.07 0.95 -0.54 0.00 0.00 0.00 174.94 175.86 3gfg s LYS 15 N 3.32 4.21 -0.02 2.79 -0.14 -1.26 -0.62 119.74 128.03 3gfg s LYS 15 Ca 0.63 1.16 0.05 0.00 -1.36 0.00 0.00 55.97 56.45 3gfg s LYS 15 Cb -0.28 -3.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.19 3gfg s LYS 15 CO 0.23 -0.60 -0.15 0.08 -0.76 0.00 0.00 175.35 174.14 3gfg s VAL 16 N 3.07 2.97 -0.07 3.17 1.01 -0.46 0.06 120.40 130.15 3gfg s VAL 16 Ca 0.40 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3gfg s VAL 16 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3gfg s VAL 16 CO 0.07 0.50 -0.20 -0.83 0.00 0.00 0.00 175.10 174.65 3gfg s GLY 17 N -0.98 1.41 -0.20 4.51 0.00 -0.23 -1.62 107.32 110.21 3gfg s GLY 17 Ca 0.13 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 3gfg s GLY 17 CO 0.02 -0.56 0.03 -0.42 0.00 0.00 0.00 173.10 172.17 3gfg s ILE 18 N -0.16 4.29 -0.38 0.90 1.01 -0.61 -0.42 121.20 125.83 3gfg s ILE 18 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 3gfg s ILE 18 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3gfg s ILE 18 CO 0.04 0.43 0.47 -0.76 0.00 0.00 0.00 174.94 175.11 3gfg s LEU 19 N 0.82 4.53 0.00 2.97 1.43 0.11 -0.79 118.68 127.75 3gfg s LEU 19 Ca 0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3gfg s LEU 19 Cb -0.14 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3gfg s LEU 19 CO 0.02 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.71 3gfg n GLY 20 N 4.95 0.84 2.71 -3.19 0.00 -0.21 -0.65 105.19 109.64 3gfg n GLY 20 Ca -0.06 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 1.23 -0.02 0.00 1.61 9.36 -1.26 -4.32 117.16 123.77 3gfg n TYR 21 Ca 0.00 -2.33 0.00 0.00 3.32 0.00 0.00 57.90 58.89 3gfg n TYR 21 Cb 0.00 0.33 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 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 -0.47 0.73 0.44 2.98 0.00 -1.26 -4.49 105.19 103.12 3gfg n GLY 22 Ca 0.03 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.13 0.69 0.99 5.85 -1.97 -2.06 115.31 117.68 3gfg h LEU 23 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gfg h LEU 23 Cb 0.00 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3gfg h LEU 23 CO 0.00 -0.59 -0.46 0.28 -0.34 0.00 0.00 178.44 177.33 3gfg h SER 24 N -0.89 -1.18 0.00 1.25 0.02 -1.95 -2.55 113.55 108.25 3gfg h SER 24 Ca -0.05 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gfg h SER 24 Cb 0.78 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3gfg h SER 24 CO -0.04 -0.69 -0.00 1.23 -1.14 0.00 0.00 176.83 176.20 3gfg h GLY 25 N -1.09 -0.00 1.14 -3.77 0.00 -1.74 0.39 103.07 98.00 3gfg h GLY 25 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.97 3gfg h GLY 25 CO 0.07 -0.00 -1.12 1.48 0.00 0.00 0.00 176.54 176.97 3gfg h SER 26 N -0.15 0.82 0.03 0.19 4.64 -1.49 -2.07 113.55 115.52 3gfg h SER 26 Ca -0.00 -0.82 -0.39 0.00 -0.47 0.00 0.00 61.79 60.12 3gfg h SER 26 Cb 0.14 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 3gfg h SER 26 CO 0.00 1.55 -2.38 0.52 -0.87 0.00 0.00 176.83 175.65 3gfg n VAL 27 N -3.87 1.55 0.48 0.95 0.31 -0.98 -4.22 118.33 112.55 3gfg n VAL 27 Ca -0.13 -0.59 0.11 0.00 -0.01 0.00 0.00 64.34 63.72 3gfg n VAL 27 Cb 0.93 -1.49 0.01 0.00 -0.91 0.00 0.00 33.84 32.38 3gfg n VAL 27 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gfg n PHE 28 N -3.31 0.32 0.01 3.52 3.72 0.13 -4.51 117.46 117.34 3gfg n PHE 28 Ca -0.43 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3gfg n PHE 28 Cb 1.00 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 -2.05 -0.11 -0.25 1.38 8.25 -0.83 -4.70 115.22 116.90 3gfg n HIS 29 Ca 0.01 0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3gfg n HIS 29 Cb 0.46 0.12 0.05 0.00 1.12 0.00 0.00 29.99 31.74 3gfg n HIS 29 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3gfg h GLY 30 N 0.00 0.26 1.56 -1.41 0.00 -1.57 -1.28 103.07 100.63 3gfg h GLY 30 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 3gfg h GLY 30 CO 0.00 -0.25 0.20 -2.55 0.00 0.00 0.00 176.54 173.94 3gfg h PRO 31 N -0.06 0.58 -0.38 4.80 0.11 -1.79 0.12 132.00 135.37 3gfg h PRO 31 Ca 0.31 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 3gfg h PRO 31 Cb 0.55 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3gfg h PRO 31 CO -0.76 0.45 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.20 3gfg h LEU 32 N 0.58 0.85 -0.40 2.35 3.38 -1.57 -2.76 115.31 117.74 3gfg h LEU 32 Ca 0.15 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 3gfg h LEU 32 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gfg h LEU 32 CO -0.02 1.08 -0.59 -0.07 0.09 0.00 0.00 178.44 178.93 3gfg h LEU 33 N 0.62 0.76 -0.81 1.67 3.38 -0.88 -2.96 115.31 117.09 3gfg h LEU 33 Ca 0.08 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3gfg h LEU 33 Cb 0.77 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3gfg h LEU 33 CO 0.06 1.18 0.45 -0.78 0.09 0.00 0.00 178.44 179.44 3gfg h ASP 34 N 0.51 0.64 0.96 -0.43 3.58 -0.77 -2.42 116.42 118.48 3gfg h ASP 34 Ca 0.00 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 3gfg h ASP 34 Cb 1.17 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 3gfg h ASP 34 CO 0.12 0.36 -0.42 -0.37 -2.88 0.00 0.00 179.24 176.05 3gfg h VAL 35 N 0.75 0.90 -3.32 2.25 -1.51 -1.33 -3.44 116.25 110.55 3gfg h VAL 35 Ca 0.40 -1.70 -0.56 0.00 -1.23 0.00 0.00 66.70 63.61 3gfg h VAL 35 Cb 0.39 2.04 -0.04 0.00 -2.13 0.00 0.00 31.29 31.55 3gfg h VAL 35 CO -0.26 0.41 0.42 -0.76 -1.23 0.00 0.00 177.57 176.15 3gfg s LEU 36 N -6.95 4.28 0.57 4.19 1.43 -0.91 -4.93 118.68 116.36 3gfg s LEU 36 Ca 0.01 1.47 0.35 0.00 -1.03 0.00 0.00 54.13 54.92 3gfg s LEU 36 Cb 0.10 -3.45 1.69 0.00 0.03 0.00 0.00 46.19 44.57 3gfg s LEU 36 CO 0.70 -0.34 2.12 0.44 0.23 0.00 0.00 176.35 179.50 3gfg h ASP 37 N 7.01 0.00 1.11 2.29 3.45 -1.86 -2.89 116.42 125.52 3gfg h ASP 37 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3gfg h ASP 37 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3gfg h ASP 37 CO 0.81 0.04 0.00 -0.33 -1.57 0.00 0.00 179.24 178.19 3gfg h GLU 38 N 0.00 0.00 -6.15 3.56 3.07 -1.91 -3.44 114.58 109.70 3gfg h GLU 38 Ca -0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 3gfg h GLU 38 Cb 0.32 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.93 3gfg h GLU 38 CO 0.01 0.00 -0.87 0.71 -1.40 0.00 0.00 179.01 177.46 3gfg s TYR 39 N -3.26 2.08 -0.13 4.33 2.02 -1.09 0.55 117.35 121.84 3gfg s TYR 39 Ca 0.07 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3gfg s TYR 39 Cb 0.10 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3gfg s TYR 39 CO 0.50 -0.07 -0.19 -1.14 -1.57 0.00 0.00 175.55 173.08 3gfg s GLN 40 N -0.43 2.68 -0.40 -0.62 0.74 0.21 -4.83 119.66 117.00 3gfg s GLN 40 Ca 0.06 -0.73 -0.24 0.00 0.05 0.00 0.00 55.36 54.50 3gfg s GLN 40 Cb -0.10 -2.23 0.02 0.00 1.10 0.00 0.00 33.01 31.80 3gfg s GLN 40 CO 0.00 -0.07 0.86 0.42 -0.55 0.00 0.00 175.29 175.95 3gfg s ILE 41 N 0.98 4.62 -0.21 -2.34 1.01 -1.26 -1.35 121.20 122.65 3gfg s ILE 41 Ca -0.05 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.53 3gfg s ILE 41 Cb -0.15 -4.31 -0.21 0.00 0.01 0.00 0.00 42.46 37.81 3gfg s ILE 41 CO -0.04 -0.58 -0.00 -1.20 0.00 0.00 0.00 174.94 173.12 3gfg n SER 42 N 6.73 1.72 -3.81 3.58 7.64 -0.64 -4.19 113.62 124.64 3gfg n SER 42 Ca 0.05 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 3gfg n SER 42 Cb 0.48 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.53 0.36 -0.05 1.43 1.02 -1.19 -0.21 119.74 118.57 3gfg s LYS 43 Ca -0.27 0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.81 3gfg s LYS 43 Cb 0.08 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 3gfg s LYS 43 CO 0.68 -0.07 -0.04 0.42 -0.92 0.00 0.00 175.35 175.43 3gfg s ILE 44 N -0.40 0.51 -0.37 2.17 1.01 -0.99 -1.57 121.20 121.57 3gfg s ILE 44 Ca -0.05 -0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 3gfg s ILE 44 Cb -0.03 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.89 3gfg s ILE 44 CO 0.01 0.23 0.66 -0.32 0.00 0.00 0.00 174.94 175.52 3gfg s MET 45 N 1.05 3.62 -0.02 2.79 -2.45 0.03 -1.20 119.30 123.13 3gfg s MET 45 Ca -0.09 0.02 -0.28 0.00 -1.25 0.00 0.00 55.69 54.09 3gfg s MET 45 Cb -0.14 -3.83 0.10 0.00 1.25 0.00 0.00 34.83 32.21 3gfg s MET 45 CO -0.01 -0.80 0.84 -0.08 1.05 0.00 0.00 175.02 176.02 3gfg s THR 46 N 2.80 0.00 0.17 10.11 -1.32 -1.04 -1.04 115.64 125.32 3gfg s THR 46 Ca 0.25 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.70 3gfg s THR 46 Cb -0.14 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.74 3gfg s THR 46 CO 0.16 0.00 1.41 0.77 -2.21 0.00 0.00 174.62 174.75 3gfg h SER 47 N 2.21 0.54 0.00 8.08 4.64 -1.94 -3.40 113.55 123.68 3gfg h SER 47 Ca -0.24 -0.36 -0.38 0.00 -0.47 0.00 0.00 61.79 60.35 3gfg h SER 47 Cb 1.23 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 3gfg h SER 47 CO 0.33 1.11 1.27 0.54 -0.87 0.00 0.00 176.83 179.20 3gfg n ARG 48 N -3.85 2.65 -0.39 4.77 1.74 -1.26 -4.74 116.66 115.58 3gfg n ARG 48 Ca -0.05 -1.46 0.33 0.00 -0.77 0.00 0.00 57.85 55.90 3gfg n ARG 48 Cb 0.71 -2.31 0.60 0.00 -1.02 0.00 0.00 32.46 30.44 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 2.40 0.13 -0.30 0.55 2.02 -1.99 -1.96 112.91 113.76 3gfg h THR 49 Ca 0.46 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.47 3gfg h THR 49 Cb 1.03 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3gfg h THR 49 CO 0.84 0.02 -0.32 -0.33 0.37 0.00 0.00 175.52 176.10 3gfg h GLU 50 N 0.12 0.63 -0.00 6.66 4.39 -1.98 -2.29 114.58 122.11 3gfg h GLU 50 Ca 0.81 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 60.22 3gfg h GLU 50 Cb 2.29 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.93 3gfg h GLU 50 CO -0.55 0.87 -0.19 0.39 -1.16 0.00 0.00 179.01 178.38 3gfg n GLU 51 N -4.07 0.26 -0.04 2.33 1.02 -0.75 -2.41 120.64 116.98 3gfg n GLU 51 Ca -0.01 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 3gfg n GLU 51 Cb 0.47 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 3gfg n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gfg h VAL 52 N 0.22 1.62 -0.53 2.62 2.07 -1.38 -3.12 116.25 117.76 3gfg h VAL 52 Ca 0.00 -1.91 0.10 0.00 0.82 0.00 0.00 66.70 65.72 3gfg h VAL 52 Cb 0.45 2.90 -0.09 0.00 -1.52 0.00 0.00 31.29 33.03 3gfg h VAL 52 CO 0.00 0.50 0.02 0.11 0.02 0.00 0.00 177.57 178.22 3gfg h LYS 53 N -0.74 0.13 0.00 1.57 6.56 -1.39 0.45 116.57 123.14 3gfg h LYS 53 Ca -0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3gfg h LYS 53 Cb 0.85 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 3gfg h LYS 53 CO 0.01 0.09 0.00 0.54 -2.06 0.00 0.00 179.45 178.03 3gfg n ARG 54 N -5.22 0.93 0.00 3.15 1.74 -1.01 -3.33 116.66 112.91 3gfg n ARG 54 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3gfg n ARG 54 Cb 0.29 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3gfg n ARG 54 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gfg n ASP 55 N -0.76 1.92 -3.64 0.55 8.00 -0.69 -4.95 116.55 116.98 3gfg n ASP 55 Ca 0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 3gfg n ASP 55 Cb 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 3gfg n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gfg s PHE 56 N -1.82 2.06 0.46 1.24 0.08 0.15 -4.98 117.98 115.16 3gfg s PHE 56 Ca 0.00 -2.61 0.17 0.00 0.12 0.00 0.00 56.93 54.61 3gfg s PHE 56 Cb 0.00 -1.73 1.13 0.00 -0.57 0.00 0.00 43.02 41.85 3gfg s PHE 56 CO 0.00 -0.73 1.97 -1.35 -0.10 0.00 0.00 175.22 175.01 3gfg h PRO 57 N 5.99 0.29 0.00 0.24 0.11 -1.71 -2.23 132.00 134.70 3gfg h PRO 57 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3gfg h PRO 57 Cb 0.87 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gfg h PRO 57 CO 0.50 0.19 -0.86 -0.25 -0.21 0.00 0.00 178.00 177.38 3gfg n ASP 58 N -4.45 0.65 -4.71 -2.05 8.00 -1.26 -4.85 116.55 107.88 3gfg n ASP 58 Ca 0.11 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 3gfg n ASP 58 Cb 0.47 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.18 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 -3.11 3.38 -0.03 2.24 0.00 -0.84 -4.91 121.76 118.49 3gfg s ALA 59 Ca 0.07 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 3gfg s ALA 59 Cb 0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 3gfg s ALA 59 CO 0.78 -0.48 0.91 -2.00 0.00 0.00 0.00 175.76 174.97 3gfg s GLU 60 N 1.33 4.51 -0.04 0.00 2.12 0.70 -4.88 118.70 122.44 3gfg s GLU 60 Ca 0.57 1.27 -0.21 0.00 0.36 0.00 0.00 54.97 56.96 3gfg s GLU 60 Cb -0.27 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 3gfg s GLU 60 CO 0.27 -0.05 0.59 0.08 -0.54 0.00 0.00 175.26 175.61 3gfg s VAL 61 N 1.08 5.01 0.27 3.70 1.01 -1.26 -2.34 120.40 127.87 3gfg s VAL 61 Ca 0.48 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.77 3gfg s VAL 61 Cb -0.20 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3gfg s VAL 61 CO 0.24 0.36 -0.13 0.68 0.00 0.00 0.00 175.10 176.25 3gfg s VAL 62 N 0.21 2.03 0.00 2.92 -7.23 -0.34 -4.95 120.40 113.05 3gfg s VAL 62 Ca 0.31 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3gfg s VAL 62 Cb -0.17 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3gfg s VAL 62 CO 0.16 -0.39 0.00 1.41 -0.31 0.00 0.00 175.10 175.97 3gfg n HIS 63 N -0.58 0.00 -4.38 2.82 8.25 -1.26 -2.48 115.22 117.59 3gfg n HIS 63 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 3gfg n HIS 63 Cb 0.62 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.91 0.95 0.29 -0.41 -1.05 -1.26 -4.91 118.70 111.41 3gfg s GLU 64 Ca 0.00 -0.74 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 3gfg s GLU 64 Cb 0.00 -0.96 0.64 0.00 -0.44 0.00 0.00 34.13 33.37 3gfg s GLU 64 CO 0.00 0.24 1.58 1.25 0.95 0.00 0.00 175.26 179.28 3gfg h LEU 65 N 4.99 -0.58 -0.92 1.83 5.85 -2.01 -2.10 115.31 122.37 3gfg h LEU 65 Ca -0.38 0.28 0.25 0.00 0.84 0.00 0.00 57.88 58.86 3gfg h LEU 65 Cb 1.18 0.51 -0.17 0.00 0.37 0.00 0.00 40.66 42.55 3gfg h LEU 65 CO 0.44 -0.33 0.06 -0.33 -0.34 0.00 0.00 178.44 177.95 3gfg h GLU 66 N 0.02 0.06 0.00 1.25 3.07 -1.98 -0.03 114.58 116.97 3gfg h GLU 66 Ca 0.55 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3gfg h GLU 66 Cb 1.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3gfg h GLU 66 CO -0.92 0.04 0.00 0.93 -1.40 0.00 0.00 179.01 177.66 3gfg h GLU 67 N 0.06 0.00 0.00 2.33 5.08 -1.80 0.16 114.58 120.42 3gfg h GLU 67 Ca 0.55 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.66 3gfg h GLU 67 Cb 1.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3gfg h GLU 67 CO -0.82 0.00 -1.76 -0.89 -1.00 0.00 0.00 179.01 174.54 3gfg n ILE 68 N -2.63 1.51 -0.32 3.13 5.41 -0.08 -4.00 119.36 122.37 3gfg n ILE 68 Ca -0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 62.75 63.61 3gfg n ILE 68 Cb 0.14 -2.09 0.13 0.00 -0.71 0.00 0.00 39.64 37.11 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 -1.00 1.11 0.00 1.39 1.35 -1.24 -2.45 112.91 112.07 3gfg h THR 69 Ca -0.38 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 64.99 3gfg h THR 69 Cb 1.30 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 3gfg h THR 69 CO -0.23 0.20 -0.54 0.78 -0.25 0.00 0.00 175.52 175.47 3gfg h ASN 70 N 1.07 0.00 -1.85 5.36 -0.26 -0.91 -3.44 115.58 115.55 3gfg h ASN 70 Ca 0.37 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.51 3gfg h ASN 70 Cb 0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3gfg h ASN 70 CO -0.14 0.54 1.50 -0.67 -1.06 0.00 0.00 177.43 177.60 3gfg n ASP 71 N -3.33 3.07 0.29 5.81 -0.08 -0.92 -4.85 116.55 116.53 3gfg n ASP 71 Ca 0.01 0.18 0.18 0.00 -1.51 0.00 0.00 54.79 53.65 3gfg n ASP 71 Cb 0.70 -1.52 0.82 0.00 2.34 0.00 0.00 41.12 43.46 3gfg n ASP 71 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gfg h PRO 72 N 15.07 0.00 -0.15 -0.67 0.13 -1.86 -2.79 132.00 141.73 3gfg h PRO 72 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.61 3gfg h PRO 72 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3gfg h PRO 72 CO 0.98 0.04 -0.48 0.00 -0.23 0.00 0.00 178.00 178.31 3gfg h ALA 73 N 1.96 0.91 -2.48 -0.56 0.00 -1.94 -3.45 119.26 113.71 3gfg h ALA 73 Ca -0.00 -0.47 -0.53 0.00 0.00 0.00 0.00 54.91 53.91 3gfg h ALA 73 Cb 0.37 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gfg h ALA 73 CO 0.00 0.65 0.89 0.42 0.00 0.00 0.00 179.25 181.22 3gfg s ILE 74 N -4.05 3.13 -0.25 0.00 -1.09 -1.05 -4.70 121.20 113.18 3gfg s ILE 74 Ca -0.06 0.67 0.03 0.00 -2.23 0.00 0.00 60.65 59.06 3gfg s ILE 74 Cb 0.12 -3.43 -0.17 0.00 -1.58 0.00 0.00 42.46 37.40 3gfg s ILE 74 CO 0.80 0.02 -0.21 -0.62 -1.23 0.00 0.00 174.94 173.70 3gfg n GLU 75 N 4.94 0.64 -4.35 2.79 1.02 0.11 -4.91 120.64 120.88 3gfg n GLU 75 Ca 0.14 0.14 -0.20 0.00 -0.02 0.00 0.00 57.16 57.22 3gfg n GLU 75 Cb 0.41 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.16 3gfg n GLU 75 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gfg s LEU 76 N -6.45 1.70 -0.10 -4.62 2.96 -0.74 -1.59 118.68 109.85 3gfg s LEU 76 Ca -0.33 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3gfg s LEU 76 Cb 0.09 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 3gfg s LEU 76 CO 0.60 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.85 3gfg s VAL 77 N 0.35 3.17 -0.28 1.68 1.01 0.58 -1.07 120.40 125.83 3gfg s VAL 77 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 3gfg s VAL 77 Cb -0.10 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3gfg s VAL 77 CO 0.01 0.55 0.13 -0.63 0.00 0.00 0.00 175.10 175.15 3gfg s ILE 78 N -0.09 4.61 -0.66 2.22 -1.09 0.43 -1.49 121.20 125.12 3gfg s ILE 78 Ca -0.01 -0.24 -0.17 0.00 -2.23 0.00 0.00 60.65 58.00 3gfg s ILE 78 Cb -0.14 -3.26 0.14 0.00 -1.58 0.00 0.00 42.46 37.63 3gfg s ILE 78 CO 0.03 0.19 0.69 -0.69 -1.23 0.00 0.00 174.94 173.94 3gfg s VAL 79 N 1.64 5.13 -1.33 2.92 1.01 0.62 0.05 120.40 130.43 3gfg s VAL 79 Ca 0.06 -1.57 0.14 0.00 0.00 0.00 0.00 61.98 60.60 3gfg s VAL 79 Cb -0.16 -4.46 0.33 0.00 0.00 0.00 0.00 36.38 32.08 3gfg s VAL 79 CO 0.06 -1.06 1.24 0.35 0.00 0.00 0.00 175.10 175.69 3gfg n THR 80 N 5.06 0.76 -1.03 3.92 -2.24 0.17 -1.78 114.28 119.14 3gfg n THR 80 Ca -0.02 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.58 3gfg n THR 80 Cb 0.43 0.69 0.17 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.05 2.41 0.27 4.28 -4.23 -0.99 -4.77 115.64 111.57 3gfg s THR 81 Ca 0.27 0.13 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 3gfg s THR 81 Cb 0.15 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.35 3gfg s THR 81 CO 0.20 -0.17 1.00 -2.65 -0.54 0.00 0.00 174.62 172.45 3gfg n PRO 82 N -4.14 1.26 -0.30 3.99 -0.02 -1.26 -4.66 135.00 129.87 3gfg n PRO 82 Ca 0.07 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 3gfg n PRO 82 Cb 0.55 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 3gfg n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3gfg n SER 83 N 1.35 -0.63 0.15 2.55 7.64 -1.26 0.04 113.62 123.46 3gfg n SER 83 Ca 0.11 1.31 0.10 0.00 1.01 0.00 0.00 58.87 61.40 3gfg n SER 83 Cb 0.31 -0.24 0.54 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.27 -0.89 0.00 0.23 0.00 -1.26 -0.13 105.19 101.87 3gfg n GLY 84 Ca 0.05 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.20 0.84 -0.22 0.99 4.32 0.11 -4.56 117.00 116.27 3gfg n LEU 85 Ca -0.01 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 3gfg n LEU 85 Cb 0.05 -0.02 0.08 0.00 -1.62 0.00 0.00 43.42 41.91 3gfg n LEU 85 CO 0.10 0.20 0.75 0.45 -1.22 0.00 0.00 177.39 177.68 3gfg h HIS 86 N 0.00 -0.28 0.47 -1.77 3.86 -0.03 -2.65 115.15 114.75 3gfg h HIS 86 Ca 0.00 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3gfg h HIS 86 Cb 0.57 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3gfg h HIS 86 CO 0.00 -0.26 -0.23 -0.92 0.86 0.00 0.00 177.93 177.38 3gfg h TYR 87 N 0.02 -0.59 -0.27 2.45 3.20 -1.80 -1.66 116.97 118.32 3gfg h TYR 87 Ca 0.32 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.01 3gfg h TYR 87 Cb 0.50 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.96 3gfg h TYR 87 CO -0.50 -0.34 -0.48 1.05 -1.64 0.00 0.00 178.16 176.26 3gfg h GLU 88 N -0.69 0.80 -0.80 1.82 4.11 -1.84 0.33 114.58 118.31 3gfg h GLU 88 Ca -0.06 -0.50 0.04 0.00 0.07 0.00 0.00 59.36 58.90 3gfg h GLU 88 Cb 0.51 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3gfg h GLU 88 CO 0.11 1.13 0.51 0.45 0.07 0.00 0.00 179.01 181.27 3gfg h HIS 89 N 0.56 0.95 -0.19 2.06 3.86 -1.54 0.65 115.15 121.50 3gfg h HIS 89 Ca 0.02 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 3gfg h HIS 89 Cb 1.08 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 3gfg h HIS 89 CO 0.08 0.54 -0.23 1.15 0.86 0.00 0.00 177.93 180.32 3gfg h THR 90 N 0.98 1.34 -0.68 2.45 2.02 -1.02 -2.18 112.91 115.82 3gfg h THR 90 Ca 0.32 -1.43 0.06 0.00 0.77 0.00 0.00 66.41 66.13 3gfg h THR 90 Cb 0.03 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3gfg h THR 90 CO -0.12 0.43 0.38 -0.03 0.37 0.00 0.00 175.52 176.55 3gfg h MET 91 N 0.14 0.68 0.00 6.66 -1.53 -0.74 -0.91 114.93 119.24 3gfg h MET 91 Ca 0.02 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 3gfg h MET 91 Cb 0.80 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.69 3gfg h MET 91 CO 0.06 0.45 -0.10 0.00 0.14 0.00 0.00 176.91 177.45 3gfg h ALA 92 N 1.35 1.70 0.08 0.39 0.00 -0.70 0.40 119.26 122.47 3gfg h ALA 92 Ca 0.30 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3gfg h ALA 92 Cb 0.18 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gfg h ALA 92 CO -0.18 0.13 -1.01 0.00 0.00 0.00 0.00 179.25 178.20 3gfg h ILE 94 N 0.12 0.49 -0.93 0.00 2.04 -0.81 -0.60 117.51 117.81 3gfg h ILE 94 Ca -0.15 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.96 3gfg h ILE 94 Cb 1.70 0.49 -0.17 0.00 -0.74 0.00 0.00 36.82 38.10 3gfg h ILE 94 CO 0.19 0.00 0.05 1.56 0.00 0.00 0.00 178.15 179.95 3gfg h GLN 95 N -0.68 0.05 -0.19 2.37 1.08 -0.26 0.29 115.11 117.76 3gfg h GLN 95 Ca -0.07 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3gfg h GLN 95 Cb 0.53 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3gfg h GLN 95 CO 0.10 0.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.02 3gfg n ALA 96 N -3.05 2.50 -0.83 3.87 0.00 -0.94 -4.90 120.51 117.16 3gfg n ALA 96 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3gfg n ALA 96 Cb 0.70 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3gfg n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfg n GLY 97 N 0.99 0.48 3.81 0.00 0.00 0.10 -4.98 105.19 105.59 3gfg n GLY 97 Ca 0.12 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.65 3.24 0.51 1.61 -0.14 -0.28 -4.94 119.74 118.10 3gfg s LYS 98 Ca 0.00 -0.30 -0.22 0.00 -1.36 0.00 0.00 55.97 54.10 3gfg s LYS 98 Cb 0.00 -3.01 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 3gfg s LYS 98 CO 0.00 0.72 1.24 -1.01 -0.76 0.00 0.00 175.35 175.54 3gfg s HIS 99 N -1.06 2.60 -0.01 3.18 3.76 -0.62 -4.30 115.29 118.85 3gfg s HIS 99 Ca 0.18 1.48 0.01 0.00 -0.15 0.00 0.00 55.06 56.57 3gfg s HIS 99 Cb -0.12 -3.53 0.01 0.00 1.11 0.00 0.00 32.58 30.05 3gfg s HIS 99 CO 0.07 -2.08 -0.02 0.08 -0.85 0.00 0.00 174.74 171.94 3gfg s VAL 100 N -1.48 0.22 -0.22 -0.90 1.01 -0.80 -0.31 120.40 117.92 3gfg s VAL 100 Ca 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3gfg s VAL 100 Cb -0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3gfg s VAL 100 CO 0.39 0.10 -0.03 -0.69 0.00 0.00 0.00 175.10 174.86 3gfg s VAL 101 N 0.32 3.48 -0.08 2.92 1.01 -0.56 -1.22 120.40 126.26 3gfg s VAL 101 Ca -0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3gfg s VAL 101 Cb -0.06 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3gfg s VAL 101 CO -0.01 0.41 0.22 -0.04 0.00 0.00 0.00 175.10 175.68 3gfg s MET 102 N 1.49 3.58 0.69 2.72 1.00 -0.16 -0.28 119.30 128.34 3gfg s MET 102 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 55.69 55.62 3gfg s MET 102 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 34.83 31.51 3gfg s MET 102 CO -0.03 0.75 1.16 -1.21 0.00 0.00 0.00 175.02 175.69 3gfg s GLU 103 N -1.07 2.49 0.56 2.03 0.41 -0.74 0.17 118.70 122.55 3gfg s GLU 103 Ca 0.18 1.58 -0.15 0.00 -0.41 0.00 0.00 54.97 56.16 3gfg s GLU 103 Cb -0.13 -1.89 -0.06 0.00 -1.78 0.00 0.00 34.13 30.27 3gfg s GLU 103 CO 0.07 -1.53 1.02 -1.59 -0.49 0.00 0.00 175.26 172.74 3gfg s LYS 104 N -3.98 3.64 0.45 1.61 0.00 -1.26 -3.83 119.74 116.37 3gfg s LYS 104 Ca 0.71 1.03 -0.23 0.00 0.00 0.00 0.00 55.97 57.47 3gfg s LYS 104 Cb -0.25 -2.09 -0.08 0.00 0.00 0.00 0.00 37.83 35.42 3gfg s LYS 104 CO 0.43 -0.54 1.13 -1.25 0.00 0.00 0.00 175.35 175.12 3gfg s PRO 105 N -4.23 3.86 0.04 1.78 0.04 -1.26 -5.02 135.00 130.21 3gfg s PRO 105 Ca 0.60 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 3gfg s PRO 105 Cb -0.12 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 3gfg s PRO 105 CO 0.37 -0.44 1.17 1.98 0.04 0.00 0.00 177.00 180.11 3gfg h MET 106 N 2.13 -0.10 -3.86 4.56 1.85 -1.87 -3.47 114.93 114.17 3gfg h MET 106 Ca -0.49 0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.45 3gfg h MET 106 Cb 1.24 0.02 -0.08 0.00 0.43 0.00 0.00 31.60 33.21 3gfg h MET 106 CO 0.61 -0.07 -0.15 0.95 -0.40 0.00 0.00 176.91 177.85 3gfg s THR 107 N -3.81 0.00 0.14 -0.77 -4.23 -1.26 -4.77 115.64 100.94 3gfg s THR 107 Ca -0.04 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 3gfg s THR 107 Cb 0.03 -2.47 -0.11 0.00 1.34 0.00 0.00 72.50 71.29 3gfg s THR 107 CO 0.19 0.00 1.40 0.00 -0.54 0.00 0.00 174.62 175.67 3gfg h ALA 108 N 2.19 0.48 -3.75 3.99 0.00 -1.90 -3.46 119.26 116.80 3gfg h ALA 108 Ca -0.28 -0.55 -0.55 0.00 0.00 0.00 0.00 54.91 53.53 3gfg h ALA 108 Cb 1.25 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 3gfg h ALA 108 CO 0.38 0.69 -0.83 0.95 0.00 0.00 0.00 179.25 180.45 3gfg s THR 109 N -3.92 1.63 0.13 0.00 -4.23 -1.26 -4.89 115.64 103.10 3gfg s THR 109 Ca -0.09 -1.41 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 3gfg s THR 109 Cb 0.10 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 3gfg s THR 109 CO 0.88 -0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.64 3gfg h ALA 110 N 4.33 0.05 -0.87 3.99 0.00 -1.87 -2.87 119.26 122.02 3gfg h ALA 110 Ca -0.44 0.07 0.19 0.00 0.00 0.00 0.00 54.91 54.73 3gfg h ALA 110 Cb 1.18 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.09 3gfg h ALA 110 CO 0.41 -0.53 0.40 1.49 0.00 0.00 0.00 179.25 181.02 3gfg h GLU 111 N -0.09 0.46 -0.13 0.00 4.81 -1.96 0.17 114.58 117.84 3gfg h GLU 111 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gfg h GLU 111 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3gfg h GLU 111 CO -0.24 0.30 0.08 0.93 -0.73 0.00 0.00 179.01 179.36 3gfg h GLU 112 N 0.47 0.17 -0.85 1.92 5.08 -1.95 -1.35 114.58 118.08 3gfg h GLU 112 Ca 0.52 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.91 3gfg h GLU 112 Cb 0.90 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 3gfg h GLU 112 CO -0.47 0.13 0.56 0.78 -1.00 0.00 0.00 179.01 179.01 3gfg h GLY 113 N 0.16 1.20 0.99 -3.84 0.00 -0.96 -2.10 103.07 98.53 3gfg h GLY 113 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gfg h GLY 113 CO -0.01 0.34 0.23 0.83 0.00 0.00 0.00 176.54 177.93 3gfg h GLU 114 N 1.03 0.45 -0.13 4.80 4.39 -0.30 -0.98 114.58 123.84 3gfg h GLU 114 Ca 0.34 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.04 3gfg h GLU 114 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3gfg h GLU 114 CO -0.11 0.30 -0.04 1.15 -1.16 0.00 0.00 179.01 179.15 3gfg h THR 115 N 0.46 0.85 -0.09 1.13 2.02 -0.88 -0.21 112.91 116.20 3gfg h THR 115 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 3gfg h THR 115 Cb -0.05 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3gfg h THR 115 CO -0.03 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.73 3gfg h LEU 116 N -0.01 -0.18 -0.24 2.58 3.38 -1.18 -0.62 115.31 119.04 3gfg h LEU 116 Ca 0.06 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3gfg h LEU 116 Cb 0.11 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3gfg h LEU 116 CO -0.14 -0.08 -0.11 0.50 0.09 0.00 0.00 178.44 178.70 3gfg h LYS 117 N -0.06 -0.08 -0.54 1.13 3.64 -1.03 -1.84 116.57 117.79 3gfg h LYS 117 Ca 0.06 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3gfg h LYS 117 Cb 0.14 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 3gfg h LYS 117 CO -0.13 -0.05 0.16 -0.09 -2.27 0.00 0.00 179.45 177.07 3gfg h ARG 118 N -0.08 0.30 -0.17 1.90 2.43 -0.55 -1.80 114.38 116.41 3gfg h ARG 118 Ca 0.13 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3gfg h ARG 118 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3gfg h ARG 118 CO -0.29 0.20 -0.21 0.00 -1.51 0.00 0.00 179.97 178.17 3gfg h ALA 119 N 1.39 1.33 -0.24 2.80 0.00 -0.73 -1.77 119.26 122.05 3gfg h ALA 119 Ca 0.27 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3gfg h ALA 119 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gfg h ALA 119 CO -0.31 0.45 -0.36 0.00 0.00 0.00 0.00 179.25 179.03 3gfg h ALA 120 N 1.51 0.93 -0.01 0.00 0.00 -0.54 -0.79 119.26 120.37 3gfg h ALA 120 Ca 0.05 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gfg h ALA 120 Cb 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gfg h ALA 120 CO 0.04 0.62 -0.00 -0.44 0.00 0.00 0.00 179.25 179.46 3gfg h ASP 121 N 0.44 0.02 -0.41 0.00 3.32 -1.13 0.78 116.42 119.45 3gfg h ASP 121 Ca 0.05 -0.40 0.08 0.00 0.02 0.00 0.00 57.03 56.78 3gfg h ASP 121 Cb 0.83 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 3gfg h ASP 121 CO 0.07 0.41 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.81 3gfg h GLU 122 N -0.37 -0.01 0.00 3.56 4.57 -1.26 -2.63 114.58 118.44 3gfg h GLU 122 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gfg h GLU 122 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3gfg h GLU 122 CO 0.00 -0.00 0.00 -0.22 -1.18 0.00 0.00 179.01 177.61 3gfg h LYS 123 N -0.01 0.00 0.00 1.92 1.63 -1.15 -3.48 116.57 115.48 3gfg h LYS 123 Ca 0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3gfg h LYS 123 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3gfg h LYS 123 CO -0.42 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 175.99 3gfg n GLY 124 N 1.15 0.60 3.68 5.01 0.00 0.15 -5.01 105.19 110.77 3gfg n GLY 124 Ca 0.05 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 3.79 0.31 1.61 -7.23 -0.51 -5.02 120.40 111.34 3gfg s VAL 125 Ca 0.00 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 3gfg s VAL 125 Cb 0.00 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.94 3gfg s VAL 125 CO 0.00 -0.11 0.93 -0.76 -0.31 0.00 0.00 175.10 174.85 3gfg s LEU 126 N -2.97 4.37 -0.07 1.32 1.43 -1.26 -4.51 118.68 116.99 3gfg s LEU 126 Ca 0.28 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3gfg s LEU 126 Cb -0.09 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.20 3gfg s LEU 126 CO 0.19 -0.04 -0.01 -0.22 0.23 0.00 0.00 176.35 176.50 3gfg s LEU 127 N -1.96 0.69 0.22 1.79 2.96 -1.26 -1.90 118.68 119.22 3gfg s LEU 127 Ca 0.49 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 3gfg s LEU 127 Cb -0.19 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.99 3gfg s LEU 127 CO 0.24 -0.18 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.49 3gfg s SER 128 N 1.85 2.16 0.01 3.68 0.15 -0.36 -3.47 113.70 117.74 3gfg s SER 128 Ca 0.03 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.62 3gfg s SER 128 Cb -0.12 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 3gfg s SER 128 CO -0.05 -0.37 -0.21 -0.69 1.20 0.00 0.00 173.24 173.12 3gfg s VAL 129 N -3.23 2.52 -1.42 4.45 1.01 -1.25 -0.99 120.40 121.49 3gfg s VAL 129 Ca 0.25 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 3gfg s VAL 129 Cb 0.03 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3gfg s VAL 129 CO 0.07 0.44 2.28 0.00 0.00 0.00 0.00 175.10 177.89 3gfg n TYR 130 N 1.92 3.06 -2.29 5.22 9.36 0.13 -4.69 117.16 129.87 3gfg n TYR 130 Ca -0.16 -2.93 -0.42 0.00 3.32 0.00 0.00 57.90 57.70 3gfg n TYR 130 Cb 0.52 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 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 4.55 3.05 1.39 2.98 8.25 -1.26 -4.24 115.22 129.94 3gfg n HIS 131 Ca 0.54 -2.82 0.14 0.00 -0.26 0.00 0.00 57.72 55.33 3gfg n HIS 131 Cb 0.34 -2.02 0.66 0.00 1.12 0.00 0.00 29.99 30.09 3gfg n HIS 131 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3gfg n ASN 132 N 4.14 0.26 0.00 0.41 6.94 -1.26 -3.22 115.26 122.53 3gfg n ASN 132 Ca 0.41 -0.35 0.09 0.00 -0.02 0.00 0.00 54.58 54.71 3gfg n ASN 132 Cb 0.37 -0.16 0.49 0.00 -2.36 0.00 0.00 39.78 38.12 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 -1.13 0.37 0.27 -3.83 3.00 -1.26 -0.74 116.66 113.34 3gfg n ARG 133 Ca 0.14 0.08 0.18 0.00 -0.01 0.00 0.00 57.85 58.23 3gfg n ARG 133 Cb 0.27 -1.50 0.83 0.00 0.00 0.00 0.00 32.46 32.06 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 -0.14 5.56 3.08 -1.91 -3.02 114.38 117.95 3gfg h ARG 134 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3gfg h ARG 134 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gfg h ARG 134 CO 0.00 0.00 -0.04 0.91 -1.07 0.00 0.00 179.97 179.77 3gfg n TRP 135 N -2.89 0.48 -1.95 3.04 8.01 0.08 -4.46 117.44 119.75 3gfg n TRP 135 Ca -0.01 -1.04 -0.37 0.00 -1.31 0.00 0.00 57.50 54.78 3gfg n TRP 135 Cb 0.19 -0.25 0.03 0.00 -2.01 0.00 0.00 31.31 29.27 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 -2.49 5.35 0.11 -0.99 1.11 -1.14 -0.76 116.67 117.85 3gfg s ASP 136 Ca 0.38 2.53 -0.24 0.00 0.18 0.00 0.00 52.55 55.39 3gfg s ASP 136 Cb 0.32 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.61 3gfg s ASP 136 CO 0.04 -1.49 1.68 -0.55 1.18 0.00 0.00 175.17 176.03 3gfg h ASN 137 N 1.28 -0.39 -0.74 0.27 7.08 -1.83 -0.65 115.58 120.60 3gfg h ASN 137 Ca -0.50 0.05 0.07 0.00 -3.08 0.00 0.00 56.30 52.84 3gfg h ASN 137 Cb 1.29 0.16 -0.06 0.00 -2.08 0.00 0.00 38.32 37.63 3gfg h ASN 137 CO 0.57 -0.20 0.41 -2.24 -2.08 0.00 0.00 177.43 173.89 3gfg h ASP 138 N -0.26 0.60 0.30 6.14 3.04 -1.94 -1.99 116.42 122.31 3gfg h ASP 138 Ca 0.03 0.04 -0.22 0.00 -3.24 0.00 0.00 57.03 53.64 3gfg h ASP 138 Cb 0.29 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 3gfg h ASP 138 CO -0.10 0.37 -0.89 0.15 -2.04 0.00 0.00 179.24 176.73 3gfg h PHE 139 N 0.73 0.62 -0.23 4.15 3.57 -1.84 -1.22 116.94 122.73 3gfg h PHE 139 Ca 0.34 -0.32 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3gfg h PHE 139 Cb 0.25 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3gfg h PHE 139 CO -0.07 1.13 0.04 -0.07 -2.23 0.00 0.00 178.31 177.11 3gfg h LEU 140 N 0.25 0.29 -0.05 0.59 3.38 -0.99 -0.88 115.31 117.90 3gfg h LEU 140 Ca -0.07 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 3gfg h LEU 140 Cb 1.52 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.21 3gfg h LEU 140 CO 0.16 0.32 -0.98 0.74 0.09 0.00 0.00 178.44 178.76 3gfg h THR 141 N 0.32 1.28 -0.03 0.22 2.02 -1.05 -1.78 112.91 113.89 3gfg h THR 141 Ca 0.08 -2.19 0.01 0.00 0.77 0.00 0.00 66.41 65.08 3gfg h THR 141 Cb 0.16 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3gfg h THR 141 CO -0.00 0.68 -0.02 0.40 0.37 0.00 0.00 175.52 176.95 3gfg h ILE 142 N 0.42 0.93 -0.33 3.11 2.04 -0.87 -1.14 117.51 121.67 3gfg h ILE 142 Ca -0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3gfg h ILE 142 Cb 1.63 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 3gfg h ILE 142 CO 0.19 0.00 -0.22 0.11 0.00 0.00 0.00 178.15 178.23 3gfg h LYS 143 N -0.03 -0.18 -0.24 2.37 1.57 -1.14 0.41 116.57 119.34 3gfg h LYS 143 Ca 0.02 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3gfg h LYS 143 Cb 0.06 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 3gfg h LYS 143 CO -0.05 -0.12 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.36 3gfg h LYS 144 N -0.18 -0.11 -0.79 3.15 3.64 -1.16 0.39 116.57 121.51 3gfg h LYS 144 Ca 0.17 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 3gfg h LYS 144 Cb 0.44 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 3gfg h LYS 144 CO -0.44 -0.07 0.38 -0.07 -2.27 0.00 0.00 179.45 176.98 3gfg h LEU 145 N -0.11 0.45 -0.33 5.20 3.38 -0.76 -1.57 115.31 121.57 3gfg h LEU 145 Ca 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3gfg h LEU 145 Cb 0.31 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3gfg h LEU 145 CO -0.31 0.21 0.11 0.40 0.09 0.00 0.00 178.44 178.94 3gfg h ILE 146 N 0.58 1.20 0.00 1.22 2.04 0.40 -0.79 117.51 122.16 3gfg h ILE 146 Ca 0.42 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3gfg h ILE 146 Cb 0.56 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3gfg h ILE 146 CO -0.34 0.22 -0.21 0.77 0.00 0.00 0.00 178.15 178.60 3gfg h SER 147 N 0.38 0.00 -0.41 1.72 4.64 -0.37 -1.58 113.55 117.94 3gfg h SER 147 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gfg h SER 147 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3gfg h SER 147 CO -0.00 0.21 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 3gfg n GLU 148 N -3.39 2.03 -1.94 4.77 1.02 -0.65 -4.95 120.64 117.54 3gfg n GLU 148 Ca -0.00 -1.59 -0.12 0.00 -0.02 0.00 0.00 57.16 55.43 3gfg n GLU 148 Cb 0.41 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.23 0.35 0.37 0.62 0.00 -0.59 -4.90 105.19 102.26 3gfg n GLY 149 Ca 0.16 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.22 1.51 -3.19 1.61 7.64 -0.32 -4.29 113.62 116.35 3gfg n SER 150 Ca -0.14 -1.20 -0.23 0.00 1.01 0.00 0.00 58.87 58.32 3gfg n SER 150 Cb 0.54 0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.97 3gfg n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gfg n LEU 151 N -0.33 1.27 -4.76 -3.43 4.77 -1.22 -4.78 117.00 108.51 3gfg n LEU 151 Ca 0.11 -4.99 -0.32 0.00 -0.03 0.00 0.00 56.01 50.77 3gfg n LEU 151 Cb 0.40 0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.96 3gfg n LEU 151 CO 0.27 2.17 0.73 -1.61 -1.33 0.00 0.00 177.39 177.62 3gfg s GLU 152 N -2.00 2.44 -0.14 3.23 0.41 -1.26 -4.32 118.70 117.06 3gfg s GLU 152 Ca 0.39 1.37 -0.06 0.00 -0.41 0.00 0.00 54.97 56.26 3gfg s GLU 152 Cb 0.24 -1.91 0.01 0.00 -1.78 0.00 0.00 34.13 30.69 3gfg s GLU 152 CO -0.09 -1.53 0.15 -3.47 -0.49 0.00 0.00 175.26 169.83 3gfg n ASP 153 N -2.92 -1.21 -4.68 -0.19 2.03 -1.26 -2.80 116.55 105.51 3gfg n ASP 153 Ca 0.10 -0.11 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3gfg n ASP 153 Cb 0.52 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.00 3.07 -0.12 5.18 1.01 -1.26 -2.41 121.20 125.67 3gfg s ILE 154 Ca 0.06 0.43 0.17 0.00 0.00 0.00 0.00 60.65 61.30 3gfg s ILE 154 Cb -0.01 -3.28 -0.24 0.00 0.01 0.00 0.00 42.46 38.95 3gfg s ILE 154 CO 0.21 -0.01 0.18 -0.46 0.00 0.00 0.00 174.94 174.85 3gfg n ASN 155 N 6.03 0.70 -3.84 3.58 0.23 0.94 -4.62 115.26 118.28 3gfg n ASN 155 Ca 0.17 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 54.03 3gfg n ASN 155 Cb 0.41 1.24 -0.16 0.00 -2.08 0.00 0.00 39.78 39.18 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 -2.72 0.34 -0.22 5.53 2.01 -0.70 -0.93 115.64 118.95 3gfg s THR 156 Ca -0.08 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 3gfg s THR 156 Cb 0.07 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.23 3gfg s THR 156 CO 0.74 0.19 0.00 -0.47 -0.69 0.00 0.00 174.62 174.39 3gfg s TYR 157 N 1.11 1.67 -0.12 4.92 5.04 -0.55 -0.76 117.35 128.66 3gfg s TYR 157 Ca -0.08 -1.32 0.01 0.00 -2.44 0.00 0.00 57.07 53.24 3gfg s TYR 157 Cb -0.14 -1.32 0.02 0.00 0.35 0.00 0.00 41.96 40.87 3gfg s TYR 157 CO -0.01 -0.70 -0.15 -0.65 -1.34 0.00 0.00 175.55 172.70 3gfg s GLN 158 N 1.64 2.20 -0.04 4.97 -0.21 -0.40 0.14 119.66 127.97 3gfg s GLN 158 Ca -0.02 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 54.87 3gfg s GLN 158 Cb -0.18 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 3gfg s GLN 158 CO -0.08 -0.11 -0.20 0.08 -2.12 0.00 0.00 175.29 172.86 3gfg s VAL 159 N 1.11 1.62 0.07 1.09 1.01 -0.10 -1.04 120.40 124.16 3gfg s VAL 159 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3gfg s VAL 159 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3gfg s VAL 159 CO -0.04 0.46 -0.03 -0.44 0.00 0.00 0.00 175.10 175.05 3gfg s SER 160 N -0.18 4.82 -0.47 3.32 0.01 -0.44 -1.18 113.70 119.59 3gfg s SER 160 Ca 0.00 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.12 3gfg s SER 160 Cb -0.11 -1.10 0.23 0.00 0.21 0.00 0.00 66.02 65.25 3gfg s SER 160 CO 0.01 0.20 0.76 0.00 0.41 0.00 0.00 173.24 174.63 3gfg n TYR 161 N 0.83 -2.60 -2.82 2.43 -0.00 -0.31 -4.76 117.16 109.93 3gfg n TYR 161 Ca -0.12 -2.20 -0.24 0.00 -0.00 0.00 0.00 57.90 55.33 3gfg n TYR 161 Cb 0.52 1.05 0.02 0.00 -0.00 0.00 0.00 39.34 40.93 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 -1.23 5.77 0.21 2.98 0.01 -1.26 -4.16 114.94 117.26 3gfg s ASN 162 Ca 0.33 0.40 -0.10 0.00 -0.71 0.00 0.00 52.86 52.78 3gfg s ASN 162 Cb 0.18 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 3gfg s ASN 162 CO -0.19 -0.80 0.36 0.00 -1.51 0.00 0.00 177.10 174.95 3gfg s ARG 163 N -4.67 1.37 -0.65 -0.60 1.70 -0.46 -4.92 118.95 110.70 3gfg s ARG 163 Ca 0.50 -1.29 0.01 0.00 -0.47 0.00 0.00 55.73 54.48 3gfg s ARG 163 Cb -0.10 0.41 0.16 0.00 -0.57 0.00 0.00 34.95 34.85 3gfg s ARG 163 CO 0.40 -0.53 0.45 -0.47 -1.08 0.00 0.00 175.30 174.07 3gfg s TYR 164 N -4.03 3.45 -0.57 5.89 5.04 -1.25 -1.46 117.35 124.41 3gfg s TYR 164 Ca 0.24 -3.05 0.06 0.00 -2.44 0.00 0.00 57.07 51.88 3gfg s TYR 164 Cb 0.02 -2.98 0.24 0.00 0.35 0.00 0.00 41.96 39.58 3gfg s TYR 164 CO 0.07 -0.73 0.65 0.54 -1.34 0.00 0.00 175.55 174.74 3gfg n ARG 165 N 2.85 1.90 0.07 4.97 1.74 0.15 -4.95 116.66 123.38 3gfg n ARG 165 Ca 0.12 -4.22 0.11 0.00 -0.77 0.00 0.00 57.85 53.09 3gfg n ARG 165 Cb 0.35 -1.96 0.44 0.00 -1.02 0.00 0.00 32.46 30.27 3gfg n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gfg n PRO 166 N 1.17 0.12 -3.74 5.56 -0.04 -1.25 -4.58 135.00 132.23 3gfg n PRO 166 Ca 0.27 0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 63.62 3gfg n PRO 166 Cb 0.44 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 3gfg n PRO 166 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gfg s GLU 167 N -3.13 3.52 0.27 0.54 8.01 -1.26 -4.81 118.70 121.83 3gfg s GLU 167 Ca 0.08 -0.57 -0.30 0.00 0.01 0.00 0.00 54.97 54.18 3gfg s GLU 167 Cb 0.11 -3.37 -0.11 0.00 -4.31 0.00 0.00 34.13 26.46 3gfg s GLU 167 CO 0.41 -0.26 1.55 0.14 0.01 0.00 0.00 175.26 177.11 3gfg s VAL 168 N 1.60 2.26 0.00 2.63 -7.23 -1.26 -5.19 120.40 113.21 3gfg s VAL 168 Ca 0.06 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 3gfg s VAL 168 Cb -0.16 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.64 3gfg s VAL 168 CO 0.04 0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.86 3gfg n GLN 169 N 2.36 0.00 0.00 4.82 0.00 -1.26 -5.13 117.38 118.17 3gfg n GLN 169 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.08 3gfg n GLN 169 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 30.24 30.33 3gfg n GLN 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gfg n ALA 179 N -1.52 0.00 -2.19 2.61 0.00 -1.26 -5.15 120.51 113.00 3gfg n ALA 179 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3gfg n ALA 179 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 3.43 0.00 0.00 -4.23 -1.26 -4.80 115.64 108.77 3gfg s THR 180 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3gfg s THR 180 Cb 0.00 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.64 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 -1.92 -0.34 0.22 3.99 0.00 -1.26 -4.46 105.19 101.42 3gfg n GLY 181 Ca 0.04 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 0.09 -0.16 2.61 1.35 -1.34 -1.97 112.91 113.49 3gfg h THR 182 Ca 0.00 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 3gfg h THR 182 Cb 0.00 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3gfg h THR 182 CO 0.00 0.05 -0.15 0.25 -0.25 0.00 0.00 175.52 175.42 3gfg h LEU 183 N 0.00 0.40 -0.08 3.87 5.85 -1.85 0.17 115.31 123.67 3gfg h LEU 183 Ca -0.00 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3gfg h LEU 183 Cb 0.94 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3gfg h LEU 183 CO 0.01 0.80 0.03 1.88 -0.34 0.00 0.00 178.44 180.81 3gfg h TYR 184 N 0.02 0.13 0.06 1.25 -1.99 -1.75 -2.53 116.97 112.15 3gfg h TYR 184 Ca 0.03 -0.01 -0.26 0.00 2.00 0.00 0.00 58.73 60.49 3gfg h TYR 184 Cb 0.68 -0.04 0.02 0.00 2.00 0.00 0.00 36.73 39.39 3gfg h TYR 184 CO 0.08 0.28 -1.04 0.22 -0.00 0.00 0.00 178.16 177.71 3gfg h ASP 185 N -0.06 0.81 0.00 3.88 3.58 -1.37 -3.31 116.42 119.95 3gfg h ASP 185 Ca 0.03 -0.79 -0.26 0.00 0.42 0.00 0.00 57.03 56.43 3gfg h ASP 185 Cb 0.21 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 3gfg h ASP 185 CO -0.00 1.51 -1.97 0.18 -2.88 0.00 0.00 179.24 176.07 3gfg n LEU 186 N -3.91 2.35 -0.28 2.28 4.77 0.44 -4.60 117.00 118.05 3gfg n LEU 186 Ca -0.12 -0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 55.77 3gfg n LEU 186 Cb 0.89 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 41.73 3gfg n LEU 186 CO 0.55 0.70 1.21 1.23 -1.33 0.00 0.00 177.39 179.75 3gfg h GLY 187 N 1.62 1.22 1.85 -0.72 0.00 -0.75 -3.00 103.07 103.28 3gfg h GLY 187 Ca -0.38 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 3gfg h GLY 187 CO -0.04 0.49 -0.08 1.48 0.00 0.00 0.00 176.54 178.38 3gfg h SER 188 N 1.16 0.18 -0.24 0.19 4.64 -1.59 0.79 113.55 118.68 3gfg h SER 188 Ca 0.30 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3gfg h SER 188 Cb -0.05 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3gfg h SER 188 CO -0.06 0.29 0.13 0.45 -0.87 0.00 0.00 176.83 176.78 3gfg h HIS 189 N 0.19 0.25 0.00 4.77 3.86 -1.80 0.30 115.15 122.72 3gfg h HIS 189 Ca 0.04 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 3gfg h HIS 189 Cb 0.28 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3gfg h HIS 189 CO 0.00 0.15 -0.85 -0.84 0.86 0.00 0.00 177.93 177.25 3gfg h ILE 190 N 0.28 0.93 -0.03 2.45 3.07 -1.34 -2.12 117.51 120.75 3gfg h ILE 190 Ca 0.10 -2.41 -0.00 0.00 1.55 0.00 0.00 64.86 64.10 3gfg h ILE 190 Cb 0.01 2.41 -0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3gfg h ILE 190 CO -0.05 0.53 0.00 0.40 -1.05 0.00 0.00 178.15 177.98 3gfg h ILE 191 N 0.00 1.22 -0.48 0.16 2.04 -0.87 -1.69 117.51 117.90 3gfg h ILE 191 Ca -0.05 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.21 3gfg h ILE 191 Cb 1.53 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 39.17 3gfg h ILE 191 CO 0.07 0.18 0.13 -0.78 0.00 0.00 0.00 178.15 177.75 3gfg h ASP 192 N -0.23 0.07 -0.54 1.72 3.58 -0.87 -0.68 116.42 119.48 3gfg h ASP 192 Ca 0.01 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.62 3gfg h ASP 192 Cb 0.28 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 3gfg h ASP 192 CO 0.00 0.07 0.12 1.56 -2.88 0.00 0.00 179.24 178.11 3gfg h GLN 193 N 0.27 0.26 -0.60 0.28 4.20 -1.28 0.48 115.11 118.72 3gfg h GLN 193 Ca 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3gfg h GLN 193 Cb 0.28 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3gfg h GLN 193 CO -0.28 0.17 0.39 1.15 -0.67 0.00 0.00 178.83 179.59 3gfg h THR 194 N 0.27 1.16 -0.36 -0.54 2.02 -0.51 -1.46 112.91 113.49 3gfg h THR 194 Ca 0.27 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 3gfg h THR 194 Cb 0.37 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3gfg h THR 194 CO -0.34 0.15 -0.26 -0.07 0.37 0.00 0.00 175.52 175.37 3gfg h LEU 195 N 0.81 0.75 -0.93 2.58 3.38 -0.60 -0.69 115.31 120.62 3gfg h LEU 195 Ca 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gfg h LEU 195 Cb -0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3gfg h LEU 195 CO -0.05 0.98 0.56 -0.74 0.09 0.00 0.00 178.44 179.28 3gfg h HIS 196 N 0.63 1.22 0.07 1.13 2.76 -0.51 0.38 115.15 120.84 3gfg h HIS 196 Ca 0.08 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.01 3gfg h HIS 196 Cb 0.77 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3gfg h HIS 196 CO 0.04 0.81 -1.09 -0.07 -1.30 0.00 0.00 177.93 176.32 3gfg h LEU 197 N 1.28 0.30 -0.18 0.26 3.38 -1.07 -3.41 115.31 115.88 3gfg h LEU 197 Ca 0.33 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gfg h LEU 197 Cb -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gfg h LEU 197 CO -0.06 1.20 0.00 0.49 0.09 0.00 0.00 178.44 180.15 3gfg n PHE 198 N -3.53 0.00 -4.42 1.13 3.72 -0.28 -5.11 117.46 108.97 3gfg n PHE 198 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3gfg n PHE 198 Cb 0.95 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.58 -0.62 3.76 1.37 0.00 0.13 -4.88 105.19 105.53 3gfg n GLY 199 Ca 0.00 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 4.49 0.89 1.61 -1.94 -1.26 -4.44 119.30 118.64 3gfg s MET 200 Ca 0.00 1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 54.91 3gfg s MET 200 Cb 0.00 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.64 3gfg s MET 200 CO 0.00 0.38 1.16 -1.25 -0.01 0.00 0.00 175.02 175.30 3gfg s PRO 201 N -0.39 1.33 0.15 2.03 0.04 -1.26 -4.99 135.00 131.90 3gfg s PRO 201 Ca 0.37 0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.65 3gfg s PRO 201 Cb -0.21 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3gfg s PRO 201 CO 0.23 -2.05 1.34 0.87 0.04 0.00 0.00 177.00 177.43 3gfg h LYS 202 N -1.39 0.05 -2.81 4.56 1.79 -1.04 -3.46 116.57 114.27 3gfg h LYS 202 Ca -0.49 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 57.85 3gfg h LYS 202 Cb 1.33 0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 31.83 3gfg h LYS 202 CO 0.61 0.94 -0.01 0.00 -1.08 0.00 0.00 179.45 179.91 3gfg s ALA 203 N -2.93 -1.23 -0.03 3.86 0.00 -1.23 -1.76 121.76 118.44 3gfg s ALA 203 Ca -0.00 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.57 3gfg s ALA 203 Cb 0.10 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3gfg s ALA 203 CO 0.82 -0.47 -0.24 0.08 0.00 0.00 0.00 175.76 175.95 3gfg s VAL 204 N -2.31 2.24 -0.04 0.00 1.01 -0.83 -1.00 120.40 119.47 3gfg s VAL 204 Ca -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3gfg s VAL 204 Cb -0.01 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gfg s VAL 204 CO -0.01 0.58 -0.07 -0.89 0.00 0.00 0.00 175.10 174.72 3gfg s THR 205 N -0.63 0.70 -0.08 3.92 2.01 -0.67 -1.67 115.64 119.20 3gfg s THR 205 Ca 0.10 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 3gfg s THR 205 Cb -0.10 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.77 3gfg s THR 205 CO -0.01 0.25 0.37 0.00 -0.69 0.00 0.00 174.62 174.55 3gfg s ALA 206 N 0.72 -0.94 -0.14 7.40 0.00 -1.26 -0.33 121.76 127.22 3gfg s ALA 206 Ca -0.11 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3gfg s ALA 206 Cb -0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 3gfg s ALA 206 CO 0.01 -0.23 -0.17 1.21 0.00 0.00 0.00 175.76 176.58 3gfg s ASN 207 N -0.55 3.54 -0.09 0.00 2.47 -0.55 -2.91 114.94 116.85 3gfg s ASN 207 Ca -0.07 -0.49 -0.01 0.00 0.42 0.00 0.00 52.86 52.72 3gfg s ASN 207 Cb -0.04 -1.53 0.03 0.00 -1.45 0.00 0.00 41.25 38.26 3gfg s ASN 207 CO 0.03 0.10 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.77 3gfg s VAL 208 N 0.72 0.78 0.37 -5.21 1.01 -1.26 -0.04 120.40 116.76 3gfg s VAL 208 Ca -0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3gfg s VAL 208 Cb -0.16 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3gfg s VAL 208 CO 0.01 0.32 0.58 1.15 0.00 0.00 0.00 175.10 177.17 3gfg n MET 209 N 4.95 0.84 -3.61 2.72 0.00 -0.29 -4.96 117.12 116.77 3gfg n MET 209 Ca -0.11 -2.65 -0.40 0.00 0.00 0.00 0.00 57.70 54.54 3gfg n MET 209 Cb 0.50 2.74 -0.11 0.00 0.00 0.00 0.00 33.22 36.35 3gfg n MET 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gfg s ALA 210 N -2.58 3.27 -0.08 3.17 0.00 -1.26 -0.86 121.76 123.42 3gfg s ALA 210 Ca 0.25 -1.93 0.13 0.00 0.00 0.00 0.00 51.96 50.41 3gfg s ALA 210 Cb -0.02 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3gfg s ALA 210 CO 0.18 -1.52 1.35 1.96 0.00 0.00 0.00 175.76 177.74 3gfg h GLN 211 N 8.41 0.00 -7.10 0.00 4.20 -1.88 -3.48 115.11 115.25 3gfg h GLN 211 Ca -0.24 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.00 3gfg h GLN 211 Cb 1.09 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.93 3gfg h GLN 211 CO 0.71 0.63 0.17 1.03 -0.67 0.00 0.00 178.83 180.69 3gfg s ARG 212 N -2.88 2.91 0.02 1.46 0.52 -1.26 -5.02 118.95 114.69 3gfg s ARG 212 Ca 0.03 -0.03 -0.07 0.00 -0.52 0.00 0.00 55.73 55.13 3gfg s ARG 212 Cb 0.08 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 3gfg s ARG 212 CO 0.77 -0.70 1.11 0.93 0.02 0.00 0.00 175.30 177.44 3gfg h GLU 213 N -0.16 -0.21 -0.69 3.54 5.08 -1.92 -3.17 114.58 117.05 3gfg h GLU 213 Ca -0.45 0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 57.61 3gfg h GLU 213 Cb 1.26 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.37 3gfg h GLU 213 CO 0.60 -0.14 0.30 0.09 -1.00 0.00 0.00 179.01 178.86 3gfg n ASN 214 N -2.90 3.64 -4.83 1.42 4.13 -1.26 -4.99 115.26 110.48 3gfg n ASN 214 Ca -0.03 -3.52 -0.32 0.00 1.68 0.00 0.00 54.58 52.39 3gfg n ASN 214 Cb 0.10 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 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 -3.18 2.89 0.00 5.41 0.00 -1.20 -4.98 121.76 120.70 3gfg s ALA 215 Ca 0.52 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3gfg s ALA 215 Cb 0.44 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3gfg s ALA 215 CO 0.08 -0.67 0.00 0.39 0.00 0.00 0.00 175.76 175.56 3gfg n GLU 216 N -2.17 1.10 -2.43 0.00 1.02 -1.26 -4.99 120.64 111.92 3gfg n GLU 216 Ca 0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.89 3gfg n GLU 216 Cb 0.53 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.86 4.26 0.08 2.62 -4.23 -1.26 -4.72 115.64 110.53 3gfg s THR 217 Ca 0.00 1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 61.39 3gfg s THR 217 Cb 0.00 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 3gfg s THR 217 CO 0.00 -0.52 1.82 -0.69 -0.54 0.00 0.00 174.62 174.69 3gfg s VAL 218 N -2.42 2.79 0.00 2.29 1.01 -1.26 -4.42 120.40 118.39 3gfg s VAL 218 Ca 0.62 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3gfg s VAL 218 Cb -0.12 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3gfg s VAL 218 CO 0.27 -0.00 0.44 -0.90 0.00 0.00 0.00 175.10 174.91 3gfg n ASP 219 N 6.19 0.86 -3.78 3.32 5.68 -0.04 -0.84 116.55 127.93 3gfg n ASP 219 Ca 0.18 -1.08 -0.13 0.00 -0.50 0.00 0.00 54.79 53.26 3gfg n ASP 219 Cb 0.39 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.08 -0.22 -0.05 2.11 5.04 -0.68 -2.55 117.35 120.92 3gfg s TYR 220 Ca 0.00 0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 55.06 3gfg s TYR 220 Cb 0.00 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.37 3gfg s TYR 220 CO 0.00 -0.13 0.27 -0.59 -1.34 0.00 0.00 175.55 173.75 3gfg s PHE 221 N 0.50 -0.19 -0.23 4.97 -0.12 -0.09 -1.14 117.98 121.68 3gfg s PHE 221 Ca -0.03 0.40 -0.04 0.00 -0.05 0.00 0.00 56.93 57.20 3gfg s PHE 221 Cb -0.05 0.07 0.08 0.00 -0.63 0.00 0.00 43.02 42.50 3gfg s PHE 221 CO -0.02 -0.27 0.13 -1.58 -0.05 0.00 0.00 175.22 173.42 3gfg s HIS 222 N -0.71 0.16 -0.10 3.49 2.46 0.94 -1.02 115.29 120.51 3gfg s HIS 222 Ca -0.08 -0.47 0.00 0.00 0.47 0.00 0.00 55.06 54.98 3gfg s HIS 222 Cb -0.04 -0.73 -0.02 0.00 -0.13 0.00 0.00 32.58 31.66 3gfg s HIS 222 CO 0.02 -0.66 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.01 3gfg s LEU 223 N 2.15 2.91 -0.23 8.88 1.02 0.16 -1.49 118.68 132.09 3gfg s LEU 223 Ca 0.06 -0.19 -0.05 0.00 0.02 0.00 0.00 54.13 53.97 3gfg s LEU 223 Cb -0.16 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 3gfg s LEU 223 CO -0.21 0.26 -0.00 -0.89 0.02 0.00 0.00 176.35 175.52 3gfg s THR 224 N -0.20 3.67 -0.25 5.49 2.01 0.56 -0.01 115.64 126.90 3gfg s THR 224 Ca 0.01 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 3gfg s THR 224 Cb -0.13 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 3gfg s THR 224 CO 0.03 0.38 0.14 -0.76 -0.69 0.00 0.00 174.62 173.73 3gfg s LEU 225 N 1.52 3.93 -0.44 4.42 1.02 0.18 -1.68 118.68 127.64 3gfg s LEU 225 Ca 0.06 0.01 -0.18 0.00 0.02 0.00 0.00 54.13 54.03 3gfg s LEU 225 Cb -0.15 -2.06 0.03 0.00 0.02 0.00 0.00 46.19 44.03 3gfg s LEU 225 CO -0.01 0.02 0.52 -0.62 0.02 0.00 0.00 176.35 176.28 3gfg s ASP 226 N 1.32 6.23 -0.38 2.29 2.15 -0.17 -1.47 116.67 126.64 3gfg s ASP 226 Ca 0.07 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 52.48 3gfg s ASP 226 Cb -0.15 -2.26 0.46 0.00 -0.30 0.00 0.00 42.92 40.67 3gfg s ASP 226 CO 0.06 -0.68 1.38 -1.22 -0.17 0.00 0.00 175.17 174.54 3gfg n TYR 227 N 5.85 2.88 0.00 -5.34 4.01 -0.80 -0.29 117.16 123.47 3gfg n TYR 227 Ca -0.06 -2.43 0.00 0.00 -0.16 0.00 0.00 57.90 55.26 3gfg n TYR 227 Cb 0.47 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.75 2.30 0.27 2.72 0.00 -1.26 -2.61 105.19 105.85 3gfg n GLY 228 Ca 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.43 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 -6.75 1.61 3.64 -1.97 -3.42 116.57 110.51 3gfg h LYS 229 Ca 0.00 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.82 3gfg h LYS 229 Cb 0.00 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3gfg h LYS 229 CO 0.00 0.55 0.46 -1.17 -2.27 0.00 0.00 179.45 177.02 3gfg s LEU 230 N -10.18 4.54 -0.09 5.20 2.96 -1.07 -4.85 118.68 115.19 3gfg s LEU 230 Ca -0.13 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.97 3gfg s LEU 230 Cb 0.15 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.24 3gfg s LEU 230 CO 0.77 -0.13 -0.12 -1.10 -1.32 0.00 0.00 176.35 174.44 3gfg s GLN 231 N -1.04 1.86 -0.28 1.98 -1.52 -0.10 -1.91 119.66 118.65 3gfg s GLN 231 Ca 0.46 -0.43 -0.06 0.00 -1.95 0.00 0.00 55.36 53.37 3gfg s GLN 231 Cb -0.30 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 3gfg s GLN 231 CO 0.38 -0.07 0.05 0.00 -0.25 0.00 0.00 175.29 175.40 3gfg s ALA 232 N 1.01 3.01 -0.20 6.09 0.00 -0.54 -1.48 121.76 129.65 3gfg s ALA 232 Ca -0.07 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.45 3gfg s ALA 232 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 3gfg s ALA 232 CO -0.01 -0.81 0.00 0.42 0.00 0.00 0.00 175.76 175.37 3gfg s ILE 233 N 1.49 4.01 -0.12 0.00 -1.09 0.12 0.52 121.20 126.13 3gfg s ILE 233 Ca 0.03 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3gfg s ILE 233 Cb -0.17 -2.81 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 3gfg s ILE 233 CO 0.01 0.43 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.24 3gfg s LEU 234 N 0.93 1.72 0.13 2.97 1.43 0.98 -0.92 118.68 125.91 3gfg s LEU 234 Ca 0.01 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3gfg s LEU 234 Cb -0.14 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 3gfg s LEU 234 CO 0.02 -0.00 0.25 -0.72 0.23 0.00 0.00 176.35 176.13 3gfg s TYR 235 N 1.13 0.22 -0.29 0.29 -0.85 -0.32 0.38 117.35 117.90 3gfg s TYR 235 Ca -0.03 -0.61 -0.17 0.00 -0.52 0.00 0.00 57.07 55.73 3gfg s TYR 235 Cb -0.14 -0.02 0.15 0.00 0.38 0.00 0.00 41.96 42.32 3gfg s TYR 235 CO -0.04 -0.64 1.01 0.20 -1.52 0.00 0.00 175.55 174.56 3gfg s GLY 236 N -2.90 0.03 0.48 5.49 0.00 -0.19 -1.16 107.32 109.07 3gfg s GLY 236 Ca 0.10 3.14 0.05 0.00 0.00 0.00 0.00 44.72 48.01 3gfg s GLY 236 CO -0.06 2.50 0.22 -0.32 0.00 0.00 0.00 173.10 175.43 3gfg s GLY 237 N 1.16 2.51 0.00 0.20 0.00 -1.26 -0.91 107.32 109.02 3gfg s GLY 237 Ca -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3gfg s GLY 237 CO -0.14 -1.99 0.34 1.44 0.00 0.00 0.00 173.10 172.76 3gfg n SER 238 N -1.43 0.69 -3.01 1.64 7.64 -1.06 -1.36 113.62 116.73 3gfg n SER 238 Ca -0.05 -0.85 -0.28 0.00 1.01 0.00 0.00 58.87 58.70 3gfg n SER 238 Cb 0.65 0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 64.10 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 -0.29 3.13 -3.82 0.44 5.41 -1.20 0.30 119.36 123.33 3gfg n ILE 239 Ca 0.00 -5.57 -0.30 0.00 1.00 0.00 0.00 62.75 57.88 3gfg n ILE 239 Cb 0.00 -1.47 -0.14 0.00 -0.71 0.00 0.00 39.64 37.32 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 -4.28 1.51 0.25 1.39 1.01 -0.54 -5.00 120.40 114.76 3gfg s VAL 240 Ca 0.48 -2.12 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 3gfg s VAL 240 Cb 0.26 -2.10 0.25 0.00 0.00 0.00 0.00 36.38 34.79 3gfg s VAL 240 CO -0.13 -0.73 1.89 -0.65 0.00 0.00 0.00 175.10 175.48 3gfg h PRO 241 N 7.45 1.13 -4.22 2.72 0.11 -1.95 -3.33 132.00 133.92 3gfg h PRO 241 Ca -0.07 -0.07 -0.40 0.00 0.11 0.00 0.00 66.00 65.57 3gfg h PRO 241 Cb 0.98 -0.26 -0.32 0.00 0.11 0.00 0.00 31.00 31.51 3gfg h PRO 241 CO 0.51 0.75 -0.77 0.00 -0.21 0.00 0.00 178.00 178.27 3gfg s ALA 242 N -6.07 0.68 0.38 -0.75 0.00 -1.26 -4.95 121.76 109.79 3gfg s ALA 242 Ca -0.13 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 3gfg s ALA 242 Cb 0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 3gfg s ALA 242 CO 0.81 0.05 1.02 -0.80 0.00 0.00 0.00 175.76 176.84 3gfg s ASN 243 N 0.55 6.94 0.17 0.00 0.01 -1.26 -5.07 114.94 116.27 3gfg s ASN 243 Ca -0.07 1.97 0.00 0.00 -0.71 0.00 0.00 52.86 54.05 3gfg s ASN 243 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3gfg s ASN 243 CO 0.00 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.85 3gfg n GLY 244 N 0.37 -0.29 3.67 0.66 0.00 -1.26 -4.99 105.19 103.35 3gfg n GLY 244 Ca 0.04 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gfg n PRO 245 N -0.21 1.97 -0.03 1.61 -0.04 -1.26 -4.78 135.00 132.26 3gfg n PRO 245 Ca 0.00 0.69 -0.12 0.00 -0.04 0.00 0.00 63.50 64.03 3gfg n PRO 245 Cb 0.00 -2.24 -0.07 0.00 -0.04 0.00 0.00 33.50 31.15 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gfg h ARG 246 N 2.71 0.18 -5.33 0.54 2.43 -0.33 -3.39 114.38 111.18 3gfg h ARG 246 Ca -0.45 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 58.00 3gfg h ARG 246 Cb 1.29 -0.02 -0.31 0.00 -0.42 0.00 0.00 29.97 30.52 3gfg h ARG 246 CO 0.64 0.40 -0.83 0.71 -1.51 0.00 0.00 179.97 179.38 3gfg s TYR 247 N -5.09 2.66 -0.23 2.20 2.02 -0.74 -1.32 117.35 116.85 3gfg s TYR 247 Ca -0.14 -0.89 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 3gfg s TYR 247 Cb 0.05 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3gfg s TYR 247 CO 0.70 -0.34 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.60 3gfg s GLN 248 N 0.35 2.02 -0.12 -0.62 -0.21 -0.21 -1.32 119.66 119.55 3gfg s GLN 248 Ca -0.16 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.17 3gfg s GLN 248 Cb -0.17 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.22 3gfg s GLN 248 CO 0.08 -0.52 -0.14 0.42 -2.12 0.00 0.00 175.29 173.01 3gfg s ILE 249 N 1.29 1.46 -0.09 1.08 1.01 0.56 -1.27 121.20 125.23 3gfg s ILE 249 Ca -0.05 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3gfg s ILE 249 Cb -0.18 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 3gfg s ILE 249 CO -0.07 0.44 -0.24 -1.00 0.00 0.00 0.00 174.94 174.07 3gfg s HIS 250 N 1.28 2.50 0.00 3.97 3.76 0.06 -0.28 115.29 126.57 3gfg s HIS 250 Ca -0.01 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 3gfg s HIS 250 Cb -0.14 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.89 3gfg s HIS 250 CO -0.06 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 173.86 3gfg n GLY 251 N 3.44 4.78 0.28 -2.22 0.00 -0.44 -0.04 105.19 110.99 3gfg n GLY 251 Ca -0.19 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.30 -3.33 116.57 115.65 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 0.05 -0.22 -0.25 -2.00 0.00 0.00 179.45 177.03 3gfg n ASP 253 N -3.82 1.11 -4.07 7.07 10.43 -1.26 -5.04 116.55 120.98 3gfg n ASP 253 Ca -0.03 -0.04 -0.08 0.00 2.57 0.00 0.00 54.79 57.22 3gfg n ASP 253 Cb 0.14 0.30 -0.10 0.00 1.84 0.00 0.00 41.12 43.29 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 -0.52 0.53 0.03 -2.24 1.04 -1.25 -0.10 113.70 111.20 3gfg s SER 254 Ca 0.00 -0.86 0.05 0.00 0.48 0.00 0.00 55.95 55.63 3gfg s SER 254 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 3gfg s SER 254 CO 0.00 -0.49 -0.15 -0.44 0.98 0.00 0.00 173.24 173.14 3gfg s SER 255 N -2.51 1.81 -0.15 7.02 0.01 -0.20 -1.33 113.70 118.35 3gfg s SER 255 Ca 0.01 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.85 3gfg s SER 255 Cb 0.02 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3gfg s SER 255 CO -0.07 0.08 -0.20 0.12 0.41 0.00 0.00 173.24 173.58 3gfg s PHE 256 N -0.75 2.71 -0.12 2.43 5.36 0.61 -0.33 117.98 127.89 3gfg s PHE 256 Ca 0.03 -1.35 0.02 0.00 -0.96 0.00 0.00 56.93 54.68 3gfg s PHE 256 Cb -0.08 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3gfg s PHE 256 CO 0.01 -0.62 -0.18 0.42 -1.46 0.00 0.00 175.22 173.39 3gfg s ILE 257 N 0.90 1.70 -0.01 3.12 -1.09 -0.71 -0.32 121.20 124.79 3gfg s ILE 257 Ca -0.05 -0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3gfg s ILE 257 Cb -0.15 -1.53 0.01 0.00 -1.58 0.00 0.00 42.46 39.21 3gfg s ILE 257 CO -0.04 0.48 0.01 -0.75 -1.23 0.00 0.00 174.94 173.42 3gfg s LYS 258 N 0.88 -0.01 0.25 2.79 2.20 -0.43 -0.97 119.74 124.45 3gfg s LYS 258 Ca -0.08 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.65 3gfg s LYS 258 Cb -0.15 -0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 3gfg s LYS 258 CO -0.01 -0.05 0.37 0.71 -0.36 0.00 0.00 175.35 176.00 3gfg s TYR 259 N 0.34 3.39 0.00 4.03 2.02 -1.26 0.40 117.35 126.28 3gfg s TYR 259 Ca -0.03 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3gfg s TYR 259 Cb -0.04 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 3gfg s TYR 259 CO -0.01 0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 3gfg n GLY 260 N -1.43 0.11 3.15 0.71 0.00 -1.26 -4.80 105.19 101.68 3gfg n GLY 260 Ca -0.08 -1.98 -0.10 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 -1.12 0.63 0.28 -0.61 2.07 -1.26 -4.69 121.20 116.49 3gfg s ILE 261 Ca 0.00 -1.88 -0.29 0.00 -1.41 0.00 0.00 60.65 57.06 3gfg s ILE 261 Cb 0.00 -1.62 -0.10 0.00 0.13 0.00 0.00 42.46 40.88 3gfg s ILE 261 CO 0.00 -0.87 1.20 -0.62 -1.91 0.00 0.00 174.94 172.74 3gfg s ASP 262 N -2.97 7.05 -0.08 4.50 2.15 -1.26 -4.95 116.67 121.12 3gfg s ASP 262 Ca 0.10 2.43 0.15 0.00 0.43 0.00 0.00 52.55 55.65 3gfg s ASP 262 Cb 0.05 -2.63 0.56 0.00 -0.30 0.00 0.00 42.92 40.59 3gfg s ASP 262 CO -0.05 -0.33 1.43 0.61 -0.17 0.00 0.00 175.17 176.66 3gfg n GLY 263 N 1.23 2.07 0.24 2.66 0.00 -1.26 -4.51 105.19 105.61 3gfg n GLY 263 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 3.21 0.74 -0.51 1.61 4.20 -1.94 -1.68 115.11 120.75 3gfg h GLN 264 Ca 0.00 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 3gfg h GLN 264 Cb 1.13 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3gfg h GLN 264 CO 0.16 1.04 0.03 0.93 -0.67 0.00 0.00 178.83 180.32 3gfg h GLU 265 N 0.59 0.88 -0.50 1.46 5.08 -2.00 -1.05 114.58 119.05 3gfg h GLU 265 Ca 0.03 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3gfg h GLU 265 Cb 1.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3gfg h GLU 265 CO 0.10 0.90 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.42 3gfg h ASP 266 N 0.75 0.96 -0.33 1.42 3.32 -1.84 0.04 116.42 120.74 3gfg h ASP 266 Ca 0.15 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.91 3gfg h ASP 266 Cb 0.48 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3gfg h ASP 266 CO 0.02 1.10 0.09 0.00 -1.72 0.00 0.00 179.24 178.73 3gfg h ALA 267 N 0.98 0.37 -0.77 3.45 0.00 -1.05 -1.30 119.26 120.94 3gfg h ALA 267 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gfg h ALA 267 Cb 0.70 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3gfg h ALA 267 CO 0.05 -0.31 0.43 -0.07 0.00 0.00 0.00 179.25 179.35 3gfg h LEU 268 N 0.22 0.96 -1.57 0.00 3.38 -0.97 -1.53 115.31 115.80 3gfg h LEU 268 Ca 0.15 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3gfg h LEU 268 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3gfg h LEU 268 CO -0.18 0.77 0.31 0.03 0.09 0.00 0.00 178.44 179.46 3gfg h ARG 269 N 1.07 0.56 -0.03 1.13 3.08 -0.57 -1.35 114.38 118.27 3gfg h ARG 269 Ca 0.27 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3gfg h ARG 269 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gfg h ARG 269 CO -0.05 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.23 3gfg n ALA 270 N -2.47 2.62 -1.95 0.04 0.00 -0.53 -4.89 120.51 113.33 3gfg n ALA 270 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gfg n ALA 270 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.97 0.62 3.72 0.00 0.00 -0.51 -5.06 105.19 104.92 3gfg n GLY 271 Ca 0.19 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.96 2.67 0.05 1.61 0.52 -0.63 -5.02 118.95 114.18 3gfg s ARG 272 Ca 0.00 -0.78 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 3gfg s ARG 272 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 3gfg s ARG 272 CO 0.00 0.55 -0.15 0.15 0.02 0.00 0.00 175.30 175.88 3gfg s LYS 273 N -2.30 0.95 -0.09 3.54 1.02 -1.26 -4.03 119.74 117.56 3gfg s LYS 273 Ca 0.27 -0.82 -0.33 0.00 0.02 0.00 0.00 55.97 55.10 3gfg s LYS 273 Cb -0.12 -0.97 -0.11 0.00 -0.52 0.00 0.00 37.83 36.11 3gfg s LYS 273 CO 0.19 0.24 1.95 -2.30 -0.92 0.00 0.00 175.35 174.50 3gfg n PRO 274 N 1.75 2.24 0.00 -1.68 -0.02 -1.26 -4.75 135.00 131.27 3gfg n PRO 274 Ca -0.19 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3gfg n PRO 274 Cb 0.54 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3gfg n PRO 274 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gfg n GLU 275 N 7.10 0.00 -3.31 -0.52 1.02 -1.26 -4.97 120.64 118.71 3gfg n GLU 275 Ca 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 3gfg n GLU 275 Cb 0.33 -0.21 0.02 0.00 -0.02 0.00 0.00 31.44 31.55 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gfg n ASP 276 N 0.00 -1.47 0.23 1.62 5.75 -1.26 -5.05 116.55 116.37 3gfg n ASP 276 Ca 0.00 -1.84 0.06 0.00 -0.01 0.00 0.00 54.79 53.00 3gfg n ASP 276 Cb 0.12 2.40 0.52 0.00 -1.03 0.00 0.00 41.12 43.13 3gfg n ASP 276 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3gfg h ASP 277 N 1.55 0.00 0.00 -1.12 3.32 -2.02 -2.87 116.42 115.28 3gfg h ASP 277 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3gfg h ASP 277 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3gfg h ASP 277 CO 0.30 0.18 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 3gfg n SER 278 N -4.27 0.00 -4.71 6.45 3.41 -1.26 -4.82 113.62 108.42 3gfg n SER 278 Ca -0.02 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.14 3gfg n SER 278 Cb 0.24 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.00 2.88 -0.51 7.33 -0.11 -1.09 -2.38 118.94 123.06 3gfg s TRP 279 Ca 0.32 0.60 0.00 0.00 1.22 0.00 0.00 56.10 58.24 3gfg s TRP 279 Cb 0.15 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 28.24 3gfg s TRP 279 CO 0.25 -3.29 0.00 0.41 -4.62 0.00 0.00 176.95 169.70 3gfg n GLY 280 N 3.77 0.75 3.76 5.86 0.00 -1.26 -4.32 105.19 113.75 3gfg n GLY 280 Ca 0.14 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.17 3.06 0.44 4.61 0.00 -1.00 -1.06 121.76 125.65 3gfg s ALA 281 Ca 0.00 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 3gfg s ALA 281 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3gfg s ALA 281 CO 0.00 -1.02 0.71 0.34 0.00 0.00 0.00 175.76 175.78 3gfg s ASP 282 N -0.89 6.20 -0.17 0.00 -1.08 -1.26 -4.78 116.67 114.69 3gfg s ASP 282 Ca 0.63 0.71 -0.22 0.00 -0.52 0.00 0.00 52.55 53.15 3gfg s ASP 282 Cb -0.38 -2.09 -0.03 0.00 -1.46 0.00 0.00 42.92 38.96 3gfg s ASP 282 CO 0.47 -0.52 0.67 -0.69 0.52 0.00 0.00 175.17 175.61 3gfg s VAL 283 N -2.60 5.01 0.32 1.11 1.01 -1.26 -4.98 120.40 119.01 3gfg s VAL 283 Ca 0.45 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.82 3gfg s VAL 283 Cb -0.10 -3.98 0.31 0.00 0.00 0.00 0.00 36.38 32.61 3gfg s VAL 283 CO 0.41 0.13 1.71 -0.65 0.00 0.00 0.00 175.10 176.71 3gfg h PRO 284 N 7.29 0.49 0.00 2.72 0.11 -1.98 0.38 132.00 141.01 3gfg h PRO 284 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gfg h PRO 284 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gfg h PRO 284 CO 0.78 0.32 0.09 0.93 -0.21 0.00 0.00 178.00 179.91 3gfg h GLU 285 N 0.51 0.00 -0.09 1.05 3.07 -2.02 -1.94 114.58 115.16 3gfg h GLU 285 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 3gfg h GLU 285 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3gfg h GLU 285 CO -0.51 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.29 3gfg n PHE 286 N -2.36 0.11 -1.81 4.33 3.72 0.13 -4.99 117.46 116.59 3gfg n PHE 286 Ca -0.02 -0.19 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 3gfg n PHE 286 Cb 0.12 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.74 2.51 0.72 1.38 2.02 -0.73 -4.24 117.35 118.27 3gfg s TYR 287 Ca 0.10 1.24 -0.13 0.00 -0.37 0.00 0.00 57.07 57.92 3gfg s TYR 287 Cb 0.06 -3.94 0.03 0.00 -0.40 0.00 0.00 41.96 37.71 3gfg s TYR 287 CO 0.09 -2.93 1.11 0.20 -1.57 0.00 0.00 175.55 172.45 3gfg s GLY 288 N -0.41 1.94 -0.21 0.71 0.00 -1.24 -4.78 107.32 103.33 3gfg s GLY 288 Ca 0.58 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.71 3gfg s GLY 288 CO 0.58 0.80 -0.06 0.54 0.00 0.00 0.00 173.10 174.96 3gfg s LYS 289 N -4.46 3.38 -0.26 2.90 1.02 -0.14 -1.34 119.74 120.85 3gfg s LYS 289 Ca 0.65 -0.63 -0.10 0.00 0.02 0.00 0.00 55.97 55.91 3gfg s LYS 289 Cb -0.20 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3gfg s LYS 289 CO 0.49 -0.13 0.14 -1.17 -0.92 0.00 0.00 175.35 173.75 3gfg s LEU 290 N 1.30 3.85 -0.14 3.17 2.96 -0.04 -1.74 118.68 128.04 3gfg s LEU 290 Ca 0.04 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3gfg s LEU 290 Cb -0.14 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3gfg s LEU 290 CO -0.02 -0.01 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.10 3gfg s THR 291 N 1.49 4.15 -0.06 3.68 2.01 0.55 -1.65 115.64 125.81 3gfg s THR 291 Ca 0.07 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3gfg s THR 291 Cb -0.15 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3gfg s THR 291 CO 0.07 0.51 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.51 3gfg s THR 292 N 0.06 1.04 -0.26 -0.82 2.01 -0.10 -1.04 115.64 116.53 3gfg s THR 292 Ca 0.01 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 3gfg s THR 292 Cb -0.13 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.46 3gfg s THR 292 CO 0.02 0.33 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 3gfg s ILE 293 N 0.68 2.71 -0.34 1.82 1.01 0.86 -1.49 121.20 126.44 3gfg s ILE 293 Ca -0.14 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.18 3gfg s ILE 293 Cb -0.15 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.89 3gfg s ILE 293 CO 0.03 0.06 0.10 -0.13 0.00 0.00 0.00 174.94 175.00 3gfg s ARG 294 N 1.25 2.53 7.61 2.79 3.00 -0.87 -4.82 118.95 130.45 3gfg s ARG 294 Ca -0.03 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.43 3gfg s ARG 294 Cb -0.18 -3.43 0.00 0.00 0.00 0.00 0.00 34.95 31.34 3gfg s ARG 294 CO -0.04 -0.70 0.00 0.41 0.00 0.00 0.00 175.30 174.97 3gfg n GLY 295 N 4.76 3.41 0.76 -3.53 0.00 -1.26 -2.44 105.19 106.89 3gfg n GLY 295 Ca -0.12 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 9.49 2.57 -4.68 1.61 3.41 -1.26 -4.92 113.62 119.84 3gfg n SER 296 Ca 0.00 -1.79 -0.40 0.00 -0.26 0.00 0.00 58.87 56.43 3gfg n SER 296 Cb 0.00 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.91 6.71 -0.19 4.04 2.15 -1.02 -5.06 116.67 121.39 3gfg s ASP 297 Ca 0.23 0.86 -0.04 0.00 0.43 0.00 0.00 52.55 54.03 3gfg s ASP 297 Cb 0.18 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 3gfg s ASP 297 CO 0.33 -0.20 -0.02 -0.75 -0.17 0.00 0.00 175.17 174.36 3gfg s LYS 298 N 1.54 3.62 0.01 4.34 2.20 -1.26 -2.06 119.74 128.13 3gfg s LYS 298 Ca 0.29 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.41 3gfg s LYS 298 Cb -0.16 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.13 3gfg s LYS 298 CO 0.11 0.08 -0.12 0.21 -0.36 0.00 0.00 175.35 175.27 3gfg s LYS 299 N 0.81 0.89 -0.05 4.03 2.20 -0.56 -4.99 119.74 122.06 3gfg s LYS 299 Ca -0.00 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.11 3gfg s LYS 299 Cb -0.14 -0.86 -0.02 0.00 -1.51 0.00 0.00 37.83 35.30 3gfg s LYS 299 CO 0.02 0.22 -0.23 0.99 -0.36 0.00 0.00 175.35 175.99 3gfg s THR 300 N -0.56 2.26 -0.02 3.43 2.01 -1.26 -0.92 115.64 120.58 3gfg s THR 300 Ca 0.02 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3gfg s THR 300 Cb -0.06 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.63 3gfg s THR 300 CO 0.00 0.57 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.78 3gfg s GLU 301 N -0.32 0.39 -0.15 4.92 2.12 -0.66 -4.99 118.70 120.01 3gfg s GLU 301 Ca 0.01 -0.08 -0.17 0.00 0.36 0.00 0.00 54.97 55.09 3gfg s GLU 301 Cb -0.13 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 3gfg s GLU 301 CO 0.02 0.01 0.45 0.99 -0.54 0.00 0.00 175.26 176.19 3gfg s THR 302 N 0.34 5.19 -0.31 -1.70 2.01 -1.26 -0.86 115.64 119.05 3gfg s THR 302 Ca -0.03 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 3gfg s THR 302 Cb -0.07 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3gfg s THR 302 CO -0.01 0.29 0.15 -0.63 -0.69 0.00 0.00 174.62 173.74 3gfg s ILE 303 N 0.89 4.64 0.33 1.82 -1.09 -0.45 -4.99 121.20 122.35 3gfg s ILE 303 Ca 0.24 -0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.00 3gfg s ILE 303 Cb -0.15 -3.34 -0.12 0.00 -1.58 0.00 0.00 42.46 37.27 3gfg s ILE 303 CO 0.09 0.09 1.53 -2.65 -1.23 0.00 0.00 174.94 172.77 3gfg n PRO 304 N 4.99 2.63 -2.31 2.79 -0.02 -1.26 -3.69 135.00 138.13 3gfg n PRO 304 Ca -0.14 0.93 -0.39 0.00 -2.02 0.00 0.00 63.50 61.88 3gfg n PRO 304 Cb 0.49 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 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 0.19 6.77 0.38 2.55 0.01 -1.26 -5.00 113.70 117.34 3gfg s SER 305 Ca 0.59 2.39 -0.28 0.00 1.31 0.00 0.00 55.95 59.97 3gfg s SER 305 Cb -0.50 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.01 3gfg s SER 305 CO 0.56 -0.50 1.38 -0.69 0.41 0.00 0.00 173.24 174.40 3gfg s VAL 306 N -1.30 2.39 0.33 3.43 1.01 -1.26 -4.77 120.40 120.23 3gfg s VAL 306 Ca 0.52 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3gfg s VAL 306 Cb -0.33 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 3gfg s VAL 306 CO 0.42 0.08 1.50 0.20 0.00 0.00 0.00 175.10 177.30 3gfg s ASN 307 N -0.42 6.42 0.72 3.32 -0.87 -1.26 -4.40 114.94 118.45 3gfg s ASN 307 Ca 0.53 2.95 -0.16 0.00 -1.57 0.00 0.00 52.86 54.61 3gfg s ASN 307 Cb -0.42 -2.65 0.03 0.00 -0.02 0.00 0.00 41.25 38.19 3gfg s ASN 307 CO 0.56 -0.84 1.25 -0.83 -2.57 0.00 0.00 177.10 174.67 3gfg s GLY 308 N 0.07 2.51 -0.45 0.66 0.00 -0.22 -4.66 107.32 105.23 3gfg s GLY 308 Ca 0.56 1.02 0.07 0.00 0.00 0.00 0.00 44.72 46.38 3gfg s GLY 308 CO 0.55 1.45 0.99 -1.26 0.00 0.00 0.00 173.10 174.83 3gfg n SER 309 N -2.58 -1.88 -0.27 1.64 2.88 0.06 -4.37 113.62 109.11 3gfg n SER 309 Ca 0.15 -3.47 0.04 0.00 -1.33 0.00 0.00 58.87 54.25 3gfg n SER 309 Cb 0.49 1.42 0.26 0.00 -0.75 0.00 0.00 64.21 65.63 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 3.26 0.99 -1.00 0.66 0.05 -1.89 -1.90 116.97 117.13 3gfg h TYR 310 Ca -0.07 0.02 0.36 0.00 0.05 0.00 0.00 58.73 59.09 3gfg h TYR 310 Cb 1.06 -0.33 -0.16 0.00 1.01 0.00 0.00 36.73 38.31 3gfg h TYR 310 CO 0.29 0.54 0.55 -0.07 -1.05 0.00 0.00 178.16 178.42 3gfg h LEU 311 N 0.99 0.43 -1.75 3.88 3.38 -1.96 -1.59 115.31 118.70 3gfg h LEU 311 Ca 0.35 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.65 3gfg h LEU 311 Cb 0.14 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3gfg h LEU 311 CO -0.12 -0.26 0.38 0.74 0.09 0.00 0.00 178.44 179.27 3gfg h THR 312 N 0.19 0.86 0.04 0.22 2.02 -1.76 -0.02 112.91 114.46 3gfg h THR 312 Ca 0.78 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.87 3gfg h THR 312 Cb 1.91 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3gfg h THR 312 CO -0.68 0.05 -0.06 0.22 0.37 0.00 0.00 175.52 175.43 3gfg h TYR 313 N 0.28 -0.15 0.00 3.16 3.20 -1.46 -0.91 116.97 121.09 3gfg h TYR 313 Ca 0.26 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3gfg h TYR 313 Cb 0.64 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3gfg h TYR 313 CO -0.00 -0.09 -0.20 1.88 -1.64 0.00 0.00 178.16 178.11 3gfg h TYR 314 N -0.13 0.00 -0.54 -3.82 0.05 -1.23 -1.15 116.97 110.15 3gfg h TYR 314 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 3gfg h TYR 314 Cb 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3gfg h TYR 314 CO -0.11 0.20 0.16 0.00 -1.05 0.00 0.00 178.16 177.36 3gfg h ARG 315 N 0.00 0.85 -0.27 4.88 3.08 -0.81 -2.62 114.38 119.50 3gfg h ARG 315 Ca -0.00 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.69 3gfg h ARG 315 Cb 1.03 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3gfg h ARG 315 CO 0.03 0.79 -0.51 0.87 -1.07 0.00 0.00 179.97 180.07 3gfg h LYS 316 N 0.76 0.77 -0.41 0.04 1.79 -0.74 -2.74 116.57 116.04 3gfg h LYS 316 Ca 0.17 -0.47 0.03 0.00 -2.18 0.00 0.00 60.65 58.20 3gfg h LYS 316 Cb 0.30 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 3gfg h LYS 316 CO -0.00 1.10 0.22 0.82 -1.08 0.00 0.00 179.45 180.50 3gfg h ILE 317 N 0.60 1.00 -0.51 1.86 1.08 -1.15 -1.35 117.51 119.04 3gfg h ILE 317 Ca 0.02 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 3gfg h ILE 317 Cb 1.10 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 3gfg h ILE 317 CO 0.11 0.08 0.19 0.00 -0.69 0.00 0.00 178.15 177.84 3gfg h ALA 318 N 1.21 1.37 -0.25 1.87 0.00 -1.38 -1.69 119.26 120.38 3gfg h ALA 318 Ca 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3gfg h ALA 318 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gfg h ALA 318 CO -0.11 0.47 -0.42 0.93 0.00 0.00 0.00 179.25 180.13 3gfg h GLU 319 N 0.73 0.61 -0.45 0.00 5.08 -1.08 0.54 114.58 120.01 3gfg h GLU 319 Ca 0.17 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3gfg h GLU 319 Cb 0.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3gfg h GLU 319 CO -0.01 0.91 -0.01 0.77 -1.00 0.00 0.00 179.01 179.67 3gfg h SER 320 N 0.49 0.71 -0.14 1.42 0.02 -0.90 0.19 113.55 115.35 3gfg h SER 320 Ca 0.04 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 3gfg h SER 320 Cb 0.94 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 3gfg h SER 320 CO 0.08 0.79 -0.16 0.40 -1.14 0.00 0.00 176.83 176.80 3gfg h ILE 321 N 0.69 1.35 0.06 3.27 2.04 -0.83 -2.40 117.51 121.70 3gfg h ILE 321 Ca 0.14 -1.34 -0.31 0.00 1.00 0.00 0.00 64.86 64.34 3gfg h ILE 321 Cb 0.45 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3gfg h ILE 321 CO 0.02 0.39 -1.72 0.03 0.00 0.00 0.00 178.15 176.87 3gfg h ARG 322 N -0.03 0.14 0.00 2.37 3.08 -0.89 -3.40 114.38 115.64 3gfg h ARG 322 Ca 0.02 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3gfg h ARG 322 Cb 0.70 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3gfg h ARG 322 CO 0.04 0.87 0.00 0.39 -1.07 0.00 0.00 179.97 180.20 3gfg n GLU 323 N -3.28 1.67 -1.18 0.04 -0.58 0.66 -5.01 120.64 112.96 3gfg n GLU 323 Ca -0.20 -1.16 -0.06 0.00 -0.42 0.00 0.00 57.16 55.31 3gfg n GLU 323 Cb 1.04 -1.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.89 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 -0.33 0.85 3.77 0.62 0.00 -0.90 -4.94 105.19 104.25 3gfg n GLY 324 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.14 2.43 0.20 4.61 0.00 -1.17 -4.90 121.76 120.79 3gfg s ALA 325 Ca 0.00 0.58 -0.33 0.00 0.00 0.00 0.00 51.96 52.22 3gfg s ALA 325 Cb 0.00 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 3gfg s ALA 325 CO 0.00 -1.34 1.50 0.00 0.00 0.00 0.00 175.76 175.91 3gfg n ALA 326 N -2.45 1.27 -1.75 0.00 0.00 -1.26 -4.13 120.51 112.18 3gfg n ALA 326 Ca 0.11 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.60 3gfg n ALA 326 Cb 0.52 -2.32 0.04 0.00 0.00 0.00 0.00 19.45 17.69 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 0.47 3.79 0.31 0.00 1.43 -1.26 -4.79 118.68 118.63 3gfg s LEU 327 Ca 0.73 2.59 0.09 0.00 -1.03 0.00 0.00 54.13 56.51 3gfg s LEU 327 Cb -0.66 -4.39 0.50 0.00 0.03 0.00 0.00 46.19 41.67 3gfg s LEU 327 CO 0.44 -1.54 1.71 1.55 0.23 0.00 0.00 176.35 178.74 3gfg h PRO 328 N 1.29 0.10 -3.69 1.29 0.13 -1.89 -3.40 132.00 125.84 3gfg h PRO 328 Ca -0.51 -0.05 -0.43 0.00 -0.87 0.00 0.00 66.00 64.15 3gfg h PRO 328 Cb 1.30 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 3gfg h PRO 328 CO 0.57 0.55 -0.76 0.08 -0.23 0.00 0.00 178.00 178.20 3gfg s VAL 329 N -4.00 0.33 0.57 1.56 1.01 -1.26 -5.09 120.40 113.52 3gfg s VAL 329 Ca -0.03 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3gfg s VAL 329 Cb 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3gfg s VAL 329 CO 0.76 0.25 0.86 0.42 0.00 0.00 0.00 175.10 177.39 3gfg s THR 330 N 1.88 3.77 0.19 3.92 -4.23 -1.26 -3.83 115.64 116.08 3gfg s THR 330 Ca 0.03 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 3gfg s THR 330 Cb -0.12 -3.48 0.11 0.00 1.34 0.00 0.00 72.50 70.35 3gfg s THR 330 CO -0.05 -0.47 1.81 0.00 -0.54 0.00 0.00 174.62 175.38 3gfg h ALA 331 N -0.08 0.85 -0.86 3.99 0.00 -1.94 -2.42 119.26 118.81 3gfg h ALA 331 Ca -0.46 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.43 3gfg h ALA 331 Cb 1.25 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3gfg h ALA 331 CO 0.60 0.35 0.52 1.49 0.00 0.00 0.00 179.25 182.22 3gfg h GLU 332 N 0.91 0.89 -0.56 0.00 4.57 -1.94 0.10 114.58 118.55 3gfg h GLU 332 Ca 0.24 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.28 3gfg h GLU 332 Cb 0.02 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3gfg h GLU 332 CO -0.04 0.59 0.02 0.93 -1.18 0.00 0.00 179.01 179.33 3gfg h GLU 333 N 0.91 0.95 -0.32 1.92 5.08 -1.86 -1.53 114.58 119.74 3gfg h GLU 333 Ca 0.39 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3gfg h GLU 333 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3gfg h GLU 333 CO -0.20 0.92 0.10 0.78 -1.00 0.00 0.00 179.01 179.61 3gfg h GLY 334 N 1.00 0.53 0.40 -3.84 0.00 -0.83 -2.72 103.07 97.62 3gfg h GLY 334 Ca 0.17 -0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.28 3gfg h GLY 334 CO 0.02 0.29 0.28 -2.22 0.00 0.00 0.00 176.54 174.91 3gfg h ILE 335 N 0.36 0.79 -0.82 2.60 2.04 -0.61 -2.58 117.51 119.30 3gfg h ILE 335 Ca 0.10 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3gfg h ILE 335 Cb 0.24 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3gfg h ILE 335 CO -0.00 0.09 0.54 0.78 0.00 0.00 0.00 178.15 179.55 3gfg h ASN 336 N 0.48 0.95 -0.84 1.72 2.35 -0.99 -0.01 115.58 119.24 3gfg h ASN 336 Ca 0.33 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.09 3gfg h ASN 336 Cb 0.39 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 3gfg h ASN 336 CO -0.30 0.69 0.53 0.58 -1.65 0.00 0.00 177.43 177.29 3gfg h VAL 337 N 1.12 1.10 -0.23 2.81 2.07 -1.18 -0.91 116.25 121.03 3gfg h VAL 337 Ca 0.30 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.31 3gfg h VAL 337 Cb -0.12 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 3gfg h VAL 337 CO -0.06 0.19 -0.51 0.40 0.02 0.00 0.00 177.57 177.60 3gfg h ILE 338 N 1.01 1.30 -0.48 4.57 1.08 -1.12 -1.42 117.51 122.45 3gfg h ILE 338 Ca 0.34 -1.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.17 3gfg h ILE 338 Cb 0.06 1.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.41 3gfg h ILE 338 CO -0.13 0.55 0.12 0.03 -0.69 0.00 0.00 178.15 178.02 3gfg h ARG 339 N 0.51 0.25 -0.39 2.37 3.08 -0.31 0.23 114.38 120.13 3gfg h ARG 339 Ca 0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gfg h ARG 339 Cb 1.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3gfg h ARG 339 CO 0.10 0.17 0.24 0.82 -1.07 0.00 0.00 179.97 180.23 3gfg h ILE 340 N 0.26 1.12 -0.24 2.04 1.08 -0.83 -1.29 117.51 119.65 3gfg h ILE 340 Ca 0.24 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 3gfg h ILE 340 Cb 0.30 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3gfg h ILE 340 CO -0.30 0.12 0.15 0.40 -0.69 0.00 0.00 178.15 177.83 3gfg h ILE 341 N 0.52 1.08 -0.71 -0.67 2.04 -0.90 -0.10 117.51 118.77 3gfg h ILE 341 Ca 0.14 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3gfg h ILE 341 Cb -0.01 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3gfg h ILE 341 CO -0.03 0.08 0.28 -0.33 0.00 0.00 0.00 178.15 178.15 3gfg h GLU 342 N 0.30 1.05 -0.25 2.37 5.08 -0.81 -0.60 114.58 121.72 3gfg h GLU 342 Ca 0.09 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3gfg h GLU 342 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3gfg h GLU 342 CO -0.02 0.86 -0.30 0.00 -1.00 0.00 0.00 179.01 178.55 3gfg h ALA 343 N 1.27 1.01 0.47 3.43 0.00 -0.93 -1.54 119.26 122.98 3gfg h ALA 343 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gfg h ALA 343 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gfg h ALA 343 CO -0.02 0.59 -0.23 0.00 0.00 0.00 0.00 179.25 179.60 3gfg h ALA 344 N 1.23 -0.63 -0.99 0.00 0.00 -0.43 -1.13 119.26 117.31 3gfg h ALA 344 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.91 3gfg h ALA 344 Cb 0.75 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 3gfg h ALA 344 CO 0.06 -0.76 0.63 0.52 0.00 0.00 0.00 179.25 179.69 3gfg h MET 345 N -0.82 0.94 0.00 0.00 2.07 -1.04 -0.11 114.93 115.97 3gfg h MET 345 Ca -0.06 -0.06 -0.17 0.00 -2.07 0.00 0.00 59.70 57.34 3gfg h MET 345 Cb 0.57 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 3gfg h MET 345 CO 0.11 0.62 -0.79 1.49 1.07 0.00 0.00 176.91 179.41 3gfg h GLU 346 N 0.96 0.00 -0.25 1.72 4.57 -1.28 -2.15 114.58 118.16 3gfg h GLU 346 Ca 0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.64 3gfg h GLU 346 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3gfg h GLU 346 CO -0.25 0.79 0.03 1.03 -1.18 0.00 0.00 179.01 179.43 3gfg h SER 347 N 0.00 0.40 -0.95 1.04 0.87 -0.31 -0.90 113.55 113.70 3gfg h SER 347 Ca -0.01 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.30 3gfg h SER 347 Cb 1.54 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 3gfg h SER 347 CO 0.10 0.57 0.62 -1.28 -0.53 0.00 0.00 176.83 176.31 3gfg h SER 348 N 0.21 1.07 0.55 6.23 0.87 -0.92 0.15 113.55 121.71 3gfg h SER 348 Ca 0.07 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 3gfg h SER 348 Cb 0.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3gfg h SER 348 CO 0.01 0.76 -0.82 0.50 -0.53 0.00 0.00 176.83 176.76 3gfg h LYS 349 N 1.26 0.19 -0.02 2.24 3.64 -1.28 -3.21 116.57 119.39 3gfg h LYS 349 Ca 0.35 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3gfg h LYS 349 Cb -0.11 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3gfg h LYS 349 CO -0.09 0.90 -0.42 0.39 -2.27 0.00 0.00 179.45 177.96 3gfg n GLU 350 N -3.70 1.36 -3.00 1.90 1.02 -0.35 -4.99 120.64 112.88 3gfg n GLU 350 Ca -0.03 -1.03 -0.21 0.00 -0.02 0.00 0.00 57.16 55.86 3gfg n GLU 350 Cb 0.76 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.78 3gfg n GLU 350 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gfg n LYS 351 N 0.06 -4.77 -4.00 3.49 4.76 0.49 -4.99 118.16 113.19 3gfg n LYS 351 Ca 0.09 0.87 -0.09 0.00 -2.87 0.00 0.00 58.31 56.30 3gfg n LYS 351 Cb 0.46 -5.64 -0.08 0.00 -1.84 0.00 0.00 35.03 27.93 3gfg n LYS 351 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3gfg s ARG 352 N -5.66 1.09 0.43 1.97 1.70 -1.05 -5.05 118.95 112.38 3gfg s ARG 352 Ca 0.30 -1.22 -0.25 0.00 -0.47 0.00 0.00 55.73 54.09 3gfg s ARG 352 Cb -0.13 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 3gfg s ARG 352 CO 0.37 -0.38 1.21 0.99 -1.08 0.00 0.00 175.30 176.41 3gfg s THR 353 N -3.98 2.95 -0.26 4.99 2.01 -1.26 -4.47 115.64 115.62 3gfg s THR 353 Ca 0.18 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.98 3gfg s THR 353 Cb 0.04 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.19 3gfg s THR 353 CO -0.00 0.06 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.27 3gfg s ILE 354 N -1.40 2.01 0.54 1.82 -1.09 -0.67 -5.01 121.20 117.39 3gfg s ILE 354 Ca 0.60 -1.57 -0.20 0.00 -2.23 0.00 0.00 60.65 57.24 3gfg s ILE 354 Cb -0.32 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.32 3gfg s ILE 354 CO 0.41 -0.09 1.19 -0.04 -1.23 0.00 0.00 174.94 175.18 3gfg s MET 355 N 1.17 3.31 0.00 2.79 -1.94 -1.26 -1.96 119.30 121.40 3gfg s MET 355 Ca -0.07 1.79 0.24 0.00 -1.71 0.00 0.00 55.69 55.94 3gfg s MET 355 Cb -0.20 -2.11 0.28 0.00 2.01 0.00 0.00 34.83 34.81 3gfg s MET 355 CO -0.06 -0.92 1.31 1.28 -0.01 0.00 0.00 175.02 176.62