#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s ASP 12 N 0.00 3.88 0.37 4.52 -4.77 -1.26 -5.10 116.67 114.32 3gfg s ASP 12 Ca 0.00 -0.63 -0.25 0.00 -3.30 0.00 0.00 52.55 48.37 3gfg s ASP 12 Cb 0.00 -0.53 -0.09 0.00 -1.09 0.00 0.00 42.92 41.21 3gfg s ASP 12 CO 0.00 0.15 1.07 0.42 0.70 0.00 0.00 175.17 177.51 3gfg s THR 13 N -1.38 3.62 -0.16 2.11 -4.23 -1.26 -4.99 115.64 109.34 3gfg s THR 13 Ca 0.20 1.33 -0.29 0.00 -1.18 0.00 0.00 61.69 61.75 3gfg s THR 13 Cb -0.10 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3gfg s THR 13 CO 0.11 0.10 1.47 -0.63 -0.54 0.00 0.00 174.62 175.12 3gfg s ILE 14 N -1.53 3.92 -0.22 2.99 1.01 -0.45 -4.85 121.20 122.07 3gfg s ILE 14 Ca 0.55 1.09 -0.28 0.00 0.00 0.00 0.00 60.65 62.00 3gfg s ILE 14 Cb -0.25 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3gfg s ILE 14 CO 0.31 -0.20 0.98 -0.54 0.00 0.00 0.00 174.94 175.50 3gfg s LYS 15 N 4.03 4.26 -0.07 2.79 -0.14 -1.26 -1.86 119.74 127.48 3gfg s LYS 15 Ca 0.64 1.26 0.02 0.00 -1.36 0.00 0.00 55.97 56.54 3gfg s LYS 15 Cb -0.25 -3.63 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 3gfg s LYS 15 CO 0.23 -0.56 -0.12 0.08 -0.76 0.00 0.00 175.35 174.22 3gfg s VAL 16 N 2.97 3.19 -0.09 3.17 1.01 0.05 0.55 120.40 131.25 3gfg s VAL 16 Ca 0.42 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3gfg s VAL 16 Cb -0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3gfg s VAL 16 CO 0.08 0.58 -0.12 -0.83 0.00 0.00 0.00 175.10 174.80 3gfg s GLY 17 N -0.48 1.56 -0.22 4.51 0.00 0.27 -1.04 107.32 111.92 3gfg s GLY 17 Ca 0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 3gfg s GLY 17 CO 0.02 -0.51 0.02 -0.42 0.00 0.00 0.00 173.10 172.21 3gfg s ILE 18 N -0.29 4.02 -0.40 0.90 1.01 0.66 -0.65 121.20 126.46 3gfg s ILE 18 Ca 0.03 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 3gfg s ILE 18 Cb -0.13 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.51 3gfg s ILE 18 CO 0.03 0.39 0.75 -0.76 0.00 0.00 0.00 174.94 175.34 3gfg s LEU 19 N 1.32 4.22 0.00 2.97 1.43 0.43 0.07 118.68 129.13 3gfg s LEU 19 Ca 0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3gfg s LEU 19 Cb -0.15 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.13 3gfg s LEU 19 CO 0.02 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.44 3gfg n GLY 20 N 4.74 -0.64 2.62 -3.19 0.00 0.07 -1.05 105.19 107.74 3gfg n GLY 20 Ca 0.02 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 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 1.48 3.41 -0.11 1.61 9.36 -1.24 -4.26 117.16 127.40 3gfg n TYR 21 Ca 0.00 -3.37 0.00 0.00 3.32 0.00 0.00 57.90 57.85 3gfg n TYR 21 Cb 0.00 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.49 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 -0.37 1.87 0.31 2.98 0.00 -1.26 -4.47 105.19 104.24 3gfg n GLY 22 Ca 0.35 -1.75 -0.13 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 -0.78 0.00 0.99 5.85 -1.95 0.10 115.31 119.53 3gfg h LEU 23 Ca 0.00 0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.57 3gfg h LEU 23 Cb 0.00 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3gfg h LEU 23 CO 0.00 -0.37 -1.23 0.77 -0.34 0.00 0.00 178.44 177.27 3gfg h SER 24 N -0.51 0.01 0.51 1.25 4.64 -1.94 -2.04 113.55 115.47 3gfg h SER 24 Ca 0.02 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3gfg h SER 24 Cb 0.52 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3gfg h SER 24 CO -0.14 1.01 -0.39 1.23 -0.87 0.00 0.00 176.83 177.68 3gfg h GLY 25 N 3.11 -1.13 2.00 -0.77 0.00 -1.72 -1.88 103.07 102.67 3gfg h GLY 25 Ca -0.10 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3gfg h GLY 25 CO 0.12 -0.36 -0.00 -1.14 0.00 0.00 0.00 176.54 175.15 3gfg n SER 26 N -4.80 0.51 0.00 0.19 3.41 0.34 -1.61 113.62 111.67 3gfg n SER 26 Ca -0.10 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3gfg n SER 26 Cb 0.38 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.98 0.00 0.08 -3.33 0.31 -0.77 -4.40 118.33 108.25 3gfg n VAL 27 Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.41 3gfg n VAL 27 Cb 0.40 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 3gfg n VAL 27 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3gfg h PHE 28 N 0.00 0.00 0.00 3.52 0.04 -1.53 -3.42 116.94 115.55 3gfg h PHE 28 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gfg h PHE 28 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3gfg h PHE 28 CO 0.00 0.51 -0.14 0.72 -0.60 0.00 0.00 178.31 178.79 3gfg n HIS 29 N -3.03 0.00 -0.40 -0.55 8.25 -0.73 -4.60 115.22 114.16 3gfg n HIS 29 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 3gfg n HIS 29 Cb 0.77 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.74 3gfg n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gfg n GLY 30 N 2.66 -2.45 0.27 -1.41 0.00 -0.63 -0.26 105.19 103.36 3gfg n GLY 30 Ca -0.02 1.15 0.01 0.00 0.00 0.00 0.00 46.02 47.16 3gfg n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gfg h PRO 31 N 0.00 0.01 -0.40 1.61 0.10 -1.81 -0.63 132.00 130.88 3gfg h PRO 31 Ca 0.19 -0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.26 3gfg h PRO 31 Cb 0.43 -0.00 -0.02 0.00 0.10 0.00 0.00 31.00 31.51 3gfg h PRO 31 CO -0.93 0.00 0.13 -0.07 0.10 0.00 0.00 178.00 177.24 3gfg h LEU 32 N 0.01 0.51 -0.04 2.35 3.38 -0.88 -2.04 115.31 118.60 3gfg h LEU 32 Ca 0.35 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3gfg h LEU 32 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gfg h LEU 32 CO -0.73 0.49 -0.13 -0.07 0.09 0.00 0.00 178.44 178.09 3gfg h LEU 33 N 0.56 0.00 -0.18 1.67 3.38 -0.36 -3.25 115.31 117.14 3gfg h LEU 33 Ca 0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3gfg h LEU 33 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gfg h LEU 33 CO -0.01 0.13 -0.94 -0.78 0.09 0.00 0.00 178.44 176.93 3gfg h ASP 34 N 0.00 0.52 0.44 -0.43 3.58 -0.41 -3.29 116.42 116.83 3gfg h ASP 34 Ca -0.00 -0.42 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 3gfg h ASP 34 Cb 1.09 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3gfg h ASP 34 CO 0.02 1.22 -0.52 -0.37 -2.88 0.00 0.00 179.24 176.70 3gfg h VAL 35 N 0.22 1.37 -3.42 2.25 -1.51 -1.54 -3.43 116.25 110.20 3gfg h VAL 35 Ca -0.08 -1.79 -0.54 0.00 -1.23 0.00 0.00 66.70 63.06 3gfg h VAL 35 Cb 1.58 1.93 -0.03 0.00 -2.13 0.00 0.00 31.29 32.63 3gfg h VAL 35 CO 0.16 0.52 0.27 -0.76 -1.23 0.00 0.00 177.57 176.53 3gfg s LEU 36 N -7.93 4.38 0.00 4.19 1.43 -1.24 -4.96 118.68 114.55 3gfg s LEU 36 Ca -0.03 1.53 0.27 0.00 -1.03 0.00 0.00 54.13 54.87 3gfg s LEU 36 Cb 0.13 -3.41 0.90 0.00 0.03 0.00 0.00 46.19 43.84 3gfg s LEU 36 CO 0.76 -0.17 1.66 -0.90 0.23 0.00 0.00 176.35 177.93 3gfg n ASP 37 N 3.63 1.73 0.12 2.29 5.68 -1.26 -3.43 116.55 125.31 3gfg n ASP 37 Ca 0.03 -1.56 0.12 0.00 -0.50 0.00 0.00 54.79 52.87 3gfg n ASP 37 Cb 0.51 0.01 0.47 0.00 -1.14 0.00 0.00 41.12 40.97 3gfg n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gfg n GLU 38 N 0.34 0.18 -4.25 0.11 4.71 -1.26 -4.78 120.64 115.69 3gfg n GLU 38 Ca 0.18 0.39 -0.20 0.00 -0.01 0.00 0.00 57.16 57.52 3gfg n GLU 38 Cb 0.39 -1.83 -0.12 0.00 -1.01 0.00 0.00 31.44 28.87 3gfg n GLU 38 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3gfg s TYR 39 N -3.27 1.51 -0.00 -0.32 2.02 -1.22 -1.34 117.35 114.72 3gfg s TYR 39 Ca 0.05 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 3gfg s TYR 39 Cb 0.10 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 3gfg s TYR 39 CO 0.40 0.16 -0.01 -0.65 -1.57 0.00 0.00 175.55 173.88 3gfg s GLN 40 N -2.25 0.06 -0.34 -0.62 -0.21 -0.78 -4.88 119.66 110.64 3gfg s GLN 40 Ca 0.06 -0.01 -0.19 0.00 0.02 0.00 0.00 55.36 55.24 3gfg s GLN 40 Cb -0.08 -0.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.85 3gfg s GLN 40 CO 0.04 0.00 0.55 0.42 -2.12 0.00 0.00 175.29 174.18 3gfg s ILE 41 N 0.06 4.99 -0.22 1.08 1.09 -1.26 -0.77 121.20 126.17 3gfg s ILE 41 Ca -0.00 0.50 -0.14 0.00 -1.10 0.00 0.00 60.65 59.91 3gfg s ILE 41 Cb -0.01 -3.97 -0.18 0.00 -1.06 0.00 0.00 42.46 37.24 3gfg s ILE 41 CO -0.00 -0.19 -0.00 -1.20 -0.10 0.00 0.00 174.94 173.44 3gfg n SER 42 N 5.79 1.95 -3.95 3.58 7.64 -0.20 -4.07 113.62 124.37 3gfg n SER 42 Ca -0.04 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 59.99 3gfg n SER 42 Cb 0.49 -0.83 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 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 -2.46 0.31 -0.07 1.43 1.02 -1.19 0.12 119.74 118.89 3gfg s LYS 43 Ca -0.32 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.48 3gfg s LYS 43 Cb 0.09 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 3gfg s LYS 43 CO 0.59 0.07 -0.11 0.42 -0.92 0.00 0.00 175.35 175.39 3gfg s ILE 44 N -0.28 1.10 -0.34 2.17 1.01 -0.77 -0.24 121.20 123.84 3gfg s ILE 44 Ca -0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3gfg s ILE 44 Cb -0.03 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 3gfg s ILE 44 CO -0.00 0.35 0.63 -0.32 0.00 0.00 0.00 174.94 175.60 3gfg s MET 45 N 0.82 3.73 -0.06 2.79 -2.45 0.11 -1.26 119.30 122.98 3gfg s MET 45 Ca -0.12 0.10 -0.31 0.00 -1.25 0.00 0.00 55.69 54.11 3gfg s MET 45 Cb -0.15 -3.79 0.12 0.00 1.25 0.00 0.00 34.83 32.25 3gfg s MET 45 CO 0.02 -0.69 1.10 -0.08 1.05 0.00 0.00 175.02 176.41 3gfg s THR 46 N 2.67 0.00 -0.89 10.11 -1.32 -0.77 -0.75 115.64 124.69 3gfg s THR 46 Ca 0.24 -0.12 0.22 0.00 -1.21 0.00 0.00 61.69 60.83 3gfg s THR 46 Cb -0.15 -1.29 -0.15 0.00 -1.51 0.00 0.00 72.50 69.40 3gfg s THR 46 CO 0.14 0.00 1.04 -1.54 -2.21 0.00 0.00 174.62 172.05 3gfg n SER 47 N -0.25 0.76 -3.72 8.08 3.41 -1.26 -4.54 113.62 116.09 3gfg n SER 47 Ca -0.05 -0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 57.52 3gfg n SER 47 Cb 0.60 0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 -1.61 2.83 -0.13 4.33 1.74 -1.26 -4.77 116.66 117.78 3gfg n ARG 48 Ca 0.04 -2.58 -0.12 0.00 -0.77 0.00 0.00 57.85 54.42 3gfg n ARG 48 Cb 0.36 -3.28 -0.02 0.00 -1.02 0.00 0.00 32.46 28.50 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gfg h THR 49 N 4.00 1.28 0.00 0.55 2.02 -2.01 -3.12 112.91 115.64 3gfg h THR 49 Ca 0.57 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 3gfg h THR 49 Cb 0.64 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3gfg h THR 49 CO 1.89 0.45 -0.28 -0.33 0.37 0.00 0.00 175.52 177.62 3gfg h GLU 50 N 0.67 0.00 -0.08 6.66 4.39 -1.99 -2.26 114.58 121.98 3gfg h GLU 50 Ca 0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3gfg h GLU 50 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3gfg h GLU 50 CO 0.06 0.28 -0.27 0.93 -1.16 0.00 0.00 179.01 178.86 3gfg h GLU 51 N 0.00 0.31 -0.34 2.33 4.39 -1.95 -2.95 114.58 116.37 3gfg h GLU 51 Ca -0.00 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 3gfg h GLU 51 Cb 0.62 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3gfg h GLU 51 CO 0.04 0.86 0.10 0.28 -1.16 0.00 0.00 179.01 179.13 3gfg h VAL 52 N -0.18 1.21 -0.09 3.13 2.07 -1.53 -0.92 116.25 119.95 3gfg h VAL 52 Ca -0.01 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3gfg h VAL 52 Cb 0.90 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3gfg h VAL 52 CO 0.06 0.24 0.25 0.11 0.02 0.00 0.00 177.57 178.25 3gfg h LYS 53 N 0.40 0.00 0.00 1.57 6.56 -1.45 0.14 116.57 123.79 3gfg h LYS 53 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3gfg h LYS 53 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3gfg h LYS 53 CO -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 179.45 177.20 3gfg h ARG 54 N 0.00 0.00 0.00 3.15 3.08 -1.01 -3.36 114.38 116.24 3gfg h ARG 54 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3gfg h ARG 54 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3gfg h ARG 54 CO -0.00 0.00 -0.46 0.38 -1.07 0.00 0.00 179.97 178.82 3gfg h ASP 55 N -0.76 0.00 -2.33 7.04 2.03 -1.25 -3.39 116.42 117.76 3gfg h ASP 55 Ca 0.00 -0.11 -0.59 0.00 -0.73 0.00 0.00 57.03 55.60 3gfg h ASP 55 Cb 0.18 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.29 3gfg h ASP 55 CO 0.00 0.06 -0.94 0.49 -1.03 0.00 0.00 179.24 177.81 3gfg n PHE 56 N -2.32 0.00 0.10 4.15 3.72 0.48 -4.99 117.46 118.60 3gfg n PHE 56 Ca 0.03 -3.55 0.03 0.00 -0.05 0.00 0.00 57.45 53.91 3gfg n PHE 56 Cb 0.46 -0.07 0.40 0.00 -0.94 0.00 0.00 39.48 39.33 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 5.04 0.30 -0.01 -1.08 0.11 -1.70 -2.58 132.00 132.08 3gfg h PRO 57 Ca 0.19 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3gfg h PRO 57 Cb 0.87 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3gfg h PRO 57 CO 0.47 0.37 -0.18 -0.25 -0.21 0.00 0.00 178.00 178.20 3gfg n ASP 58 N -4.32 1.13 -4.87 -2.05 8.00 -1.26 -4.90 116.55 108.29 3gfg n ASP 58 Ca -0.00 -1.04 -0.30 0.00 0.71 0.00 0.00 54.79 54.15 3gfg n ASP 58 Cb 0.23 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfg s ALA 59 N -2.37 3.33 -0.17 2.24 0.00 -0.97 -4.91 121.76 118.91 3gfg s ALA 59 Ca 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 3gfg s ALA 59 Cb 0.20 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 3gfg s ALA 59 CO 0.47 -0.02 0.02 -2.00 0.00 0.00 0.00 175.76 174.23 3gfg s GLU 60 N -3.85 3.83 0.14 0.00 2.12 0.32 -4.93 118.70 116.33 3gfg s GLU 60 Ca 0.52 -0.43 -0.24 0.00 0.36 0.00 0.00 54.97 55.18 3gfg s GLU 60 Cb -0.10 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 3gfg s GLU 60 CO 0.31 0.25 0.74 0.08 -0.54 0.00 0.00 175.26 176.09 3gfg s VAL 61 N 0.40 4.45 0.06 3.70 1.01 -1.26 -1.85 120.40 126.91 3gfg s VAL 61 Ca -0.00 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.61 3gfg s VAL 61 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3gfg s VAL 61 CO 0.01 0.52 -0.07 0.68 0.00 0.00 0.00 175.10 176.25 3gfg s VAL 62 N -1.09 0.55 -1.05 2.92 -7.23 -0.39 -4.94 120.40 109.16 3gfg s VAL 62 Ca 0.35 -1.38 0.10 0.00 -1.81 0.00 0.00 61.98 59.23 3gfg s VAL 62 Cb -0.22 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.77 3gfg s VAL 62 CO 0.25 -0.58 0.70 1.41 -0.31 0.00 0.00 175.10 176.57 3gfg n HIS 63 N 0.92 0.00 -3.87 2.82 8.25 -1.26 -1.85 115.22 120.22 3gfg n HIS 63 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 3gfg n HIS 63 Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.16 0.51 0.26 -0.41 -1.05 -1.26 -4.94 118.70 110.65 3gfg s GLU 64 Ca 0.10 -0.44 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 3gfg s GLU 64 Cb 0.08 0.21 0.42 0.00 -0.44 0.00 0.00 34.13 34.41 3gfg s GLU 64 CO 0.20 -0.13 1.85 1.25 0.95 0.00 0.00 175.26 179.38 3gfg h LEU 65 N 4.15 0.88 -1.94 1.83 5.85 -2.02 -2.16 115.31 121.90 3gfg h LEU 65 Ca -0.31 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.61 3gfg h LEU 65 Cb 1.19 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3gfg h LEU 65 CO 0.42 0.53 0.45 -0.33 -0.34 0.00 0.00 178.44 179.17 3gfg h GLU 66 N 1.00 0.06 0.00 1.25 3.07 -1.98 -0.61 114.58 117.36 3gfg h GLU 66 Ca 0.43 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3gfg h GLU 66 Cb 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3gfg h GLU 66 CO -0.21 0.04 0.00 0.93 -1.40 0.00 0.00 179.01 178.36 3gfg h GLU 67 N 0.06 0.00 0.00 2.33 4.39 -1.78 -1.41 114.58 118.17 3gfg h GLU 67 Ca 0.30 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.71 3gfg h GLU 67 Cb 1.13 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.73 3gfg h GLU 67 CO -0.02 0.00 -2.11 -0.89 -1.16 0.00 0.00 179.01 174.83 3gfg n ILE 68 N -2.69 1.11 -0.10 3.13 5.41 -0.30 -4.45 119.36 121.47 3gfg n ILE 68 Ca 0.00 -0.41 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 3gfg n ILE 68 Cb 0.20 -1.26 -0.04 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.09 1.30 -0.37 1.39 1.35 -1.34 -2.87 112.91 112.26 3gfg h THR 69 Ca -0.44 -1.32 -0.14 0.00 -0.55 0.00 0.00 66.41 63.95 3gfg h THR 69 Cb 1.64 1.48 -0.08 0.00 -1.73 0.00 0.00 68.15 69.46 3gfg h THR 69 CO -0.10 0.42 0.18 0.59 -0.25 0.00 0.00 175.52 176.37 3gfg n ASN 70 N -4.34 3.25 -4.47 5.36 4.13 -0.54 -4.81 115.26 113.85 3gfg n ASN 70 Ca -0.03 -2.60 -0.38 0.00 1.68 0.00 0.00 54.58 53.25 3gfg n ASN 70 Cb 0.41 -0.63 -0.12 0.00 -1.54 0.00 0.00 39.78 37.91 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gfg s ASP 71 N -0.15 5.58 0.00 6.41 -1.08 -1.09 -4.99 116.67 121.36 3gfg s ASP 71 Ca 0.25 -0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.05 3gfg s ASP 71 Cb 0.20 -2.01 0.77 0.00 -1.46 0.00 0.00 42.92 40.42 3gfg s ASP 71 CO 0.06 -0.16 1.57 -0.81 0.52 0.00 0.00 175.17 176.35 3gfg n PRO 72 N 4.99 0.02 -0.04 4.34 -0.04 -1.26 -3.25 135.00 139.76 3gfg n PRO 72 Ca -0.14 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 3gfg n PRO 72 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 3gfg n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gfg h ALA 73 N 2.63 0.21 -2.09 0.55 0.00 -1.95 -3.47 119.26 115.15 3gfg h ALA 73 Ca 0.00 -1.09 -0.61 0.00 0.00 0.00 0.00 54.91 53.21 3gfg h ALA 73 Cb 0.30 0.53 0.04 0.00 0.00 0.00 0.00 17.79 18.66 3gfg h ALA 73 CO 0.00 0.73 0.88 -0.89 0.00 0.00 0.00 179.25 179.98 3gfg n ILE 74 N -4.13 0.23 -0.12 0.00 2.08 -1.20 -4.65 119.36 111.56 3gfg n ILE 74 Ca -0.26 -0.04 -0.17 0.00 0.56 0.00 0.00 62.75 62.84 3gfg n ILE 74 Cb 0.79 -1.58 -0.12 0.00 -0.75 0.00 0.00 39.64 37.98 3gfg n ILE 74 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3gfg n GLU 75 N 4.63 0.65 -5.12 0.38 1.02 0.19 -4.94 120.64 117.45 3gfg n GLU 75 Ca 0.20 0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 57.17 3gfg n GLU 75 Cb 0.27 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.03 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 -6.35 2.06 -0.05 -4.62 2.96 -0.75 -2.02 118.68 109.90 3gfg s LEU 76 Ca -0.31 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.22 3gfg s LEU 76 Cb 0.08 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 3gfg s LEU 76 CO 0.61 0.28 -0.22 -0.69 -1.32 0.00 0.00 176.35 175.02 3gfg s VAL 77 N -0.58 2.38 -0.26 1.68 1.01 0.32 -0.57 120.40 124.39 3gfg s VAL 77 Ca 0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3gfg s VAL 77 Cb -0.09 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3gfg s VAL 77 CO -0.01 0.57 0.01 -0.63 0.00 0.00 0.00 175.10 175.05 3gfg s ILE 78 N -0.36 3.46 -0.53 2.22 -1.09 0.18 -1.40 121.20 123.68 3gfg s ILE 78 Ca 0.03 -0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 57.49 3gfg s ILE 78 Cb -0.12 -2.74 0.10 0.00 -1.58 0.00 0.00 42.46 38.11 3gfg s ILE 78 CO 0.02 0.18 0.55 -0.69 -1.23 0.00 0.00 174.94 173.77 3gfg s VAL 79 N 1.43 5.06 -0.21 2.92 1.01 -0.02 -0.43 120.40 130.16 3gfg s VAL 79 Ca 0.02 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 60.97 3gfg s VAL 79 Cb -0.16 -4.33 0.15 0.00 0.00 0.00 0.00 36.38 32.04 3gfg s VAL 79 CO -0.01 -0.86 1.10 0.35 0.00 0.00 0.00 175.10 175.68 3gfg n THR 80 N 5.38 1.25 -1.67 3.92 -2.24 -0.21 -1.73 114.28 118.98 3gfg n THR 80 Ca -0.11 -1.30 -0.30 0.00 -2.27 0.00 0.00 64.05 60.08 3gfg n THR 80 Cb 0.42 0.31 0.18 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.47 1.91 0.67 4.28 -4.23 -1.16 -4.62 115.64 111.02 3gfg s THR 81 Ca 0.13 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 3gfg s THR 81 Cb 0.10 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3gfg s THR 81 CO 0.04 0.00 1.22 -2.84 -0.54 0.00 0.00 174.62 172.50 3gfg s PRO 82 N -5.65 2.53 0.25 3.99 0.02 -1.26 -4.76 135.00 130.12 3gfg s PRO 82 Ca 0.70 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3gfg s PRO 82 Cb -0.08 -1.87 0.57 0.00 0.02 0.00 0.00 34.50 33.14 3gfg s PRO 82 CO 0.53 -1.55 1.27 0.43 -0.33 0.00 0.00 177.00 177.35 3gfg n SER 83 N -2.18 -0.13 0.00 2.53 7.64 -1.26 -0.82 113.62 119.39 3gfg n SER 83 Ca 0.14 1.38 0.12 0.00 1.01 0.00 0.00 58.87 61.52 3gfg n SER 83 Cb 0.50 -0.49 0.62 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.43 -1.12 0.00 0.23 0.00 -1.26 -2.83 105.19 98.78 3gfg n GLY 84 Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3gfg n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfg n LEU 85 N -1.30 0.36 -0.23 0.99 4.32 -0.00 -4.71 117.00 116.44 3gfg n LEU 85 Ca 0.11 -0.32 -0.05 0.00 -0.02 0.00 0.00 56.01 55.73 3gfg n LEU 85 Cb 0.20 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3gfg n LEU 85 CO 0.19 0.09 0.61 0.45 -1.22 0.00 0.00 177.39 177.52 3gfg h HIS 86 N 0.00 -1.00 0.61 -1.77 3.86 -1.35 -0.28 115.15 115.21 3gfg h HIS 86 Ca 0.00 0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3gfg h HIS 86 Cb 0.39 0.53 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 3gfg h HIS 86 CO 0.00 -0.39 -0.35 -0.92 0.86 0.00 0.00 177.93 177.13 3gfg h TYR 87 N -0.15 -0.91 -0.95 2.45 3.20 -1.84 0.14 116.97 118.90 3gfg h TYR 87 Ca 0.24 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3gfg h TYR 87 Cb 0.56 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 3gfg h TYR 87 CO -0.68 -0.54 0.63 1.49 -1.64 0.00 0.00 178.16 177.42 3gfg h GLU 88 N -0.89 1.19 -0.06 1.82 4.81 -1.83 -0.94 114.58 118.68 3gfg h GLU 88 Ca -0.08 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3gfg h GLU 88 Cb 0.71 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3gfg h GLU 88 CO 0.09 0.79 -0.35 0.45 -0.73 0.00 0.00 179.01 179.27 3gfg h HIS 89 N 1.23 0.47 -0.50 0.92 3.86 -0.90 -3.07 115.15 117.15 3gfg h HIS 89 Ca 0.37 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3gfg h HIS 89 Cb -0.04 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3gfg h HIS 89 CO -0.00 0.96 0.29 1.15 0.86 0.00 0.00 177.93 181.19 3gfg h THR 90 N -0.16 1.16 -0.78 2.45 2.02 -0.61 -2.88 112.91 114.11 3gfg h THR 90 Ca -0.03 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3gfg h THR 90 Cb 1.01 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3gfg h THR 90 CO 0.07 0.17 0.47 -0.03 0.37 0.00 0.00 175.52 176.57 3gfg h MET 91 N 0.67 1.05 -0.52 6.66 -1.53 -1.27 -0.80 114.93 119.19 3gfg h MET 91 Ca 0.18 -0.09 -0.04 0.00 -3.44 0.00 0.00 59.70 56.31 3gfg h MET 91 Cb 0.02 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 30.82 3gfg h MET 91 CO -0.03 0.73 0.16 0.00 0.14 0.00 0.00 176.91 177.91 3gfg h ALA 92 N 1.45 1.31 0.03 0.39 0.00 -1.41 -0.25 119.26 120.79 3gfg h ALA 92 Ca 0.28 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 3gfg h ALA 92 Cb -0.05 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gfg h ALA 92 CO -0.05 0.50 -1.10 0.00 0.00 0.00 0.00 179.25 178.60 3gfg h ILE 94 N 0.37 0.30 -0.53 0.00 2.04 -0.94 0.85 117.51 119.60 3gfg h ILE 94 Ca -0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.82 3gfg h ILE 94 Cb 1.76 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3gfg h ILE 94 CO 0.21 0.00 0.37 1.56 0.00 0.00 0.00 178.15 180.29 3gfg h GLN 95 N -0.64 0.23 -0.05 2.37 1.08 -1.06 0.12 115.11 117.17 3gfg h GLN 95 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3gfg h GLN 95 Cb 0.62 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3gfg h GLN 95 CO -0.12 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 177.91 3gfg n ALA 96 N -2.56 2.56 -1.66 3.87 0.00 -1.00 -4.94 120.51 116.79 3gfg n ALA 96 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3gfg n ALA 96 Cb 0.43 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.17 0.69 3.91 0.00 0.00 0.43 -4.98 105.19 106.40 3gfg n GLY 97 Ca 0.18 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3gfg n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gfg s LYS 98 N -3.49 3.44 0.49 1.61 -0.14 0.20 -4.98 119.74 116.88 3gfg s LYS 98 Ca 0.00 -0.35 -0.21 0.00 -1.36 0.00 0.00 55.97 54.05 3gfg s LYS 98 Cb 0.00 -3.08 -0.07 0.00 -1.68 0.00 0.00 37.83 32.99 3gfg s LYS 98 CO 0.00 0.66 1.10 -1.01 -0.76 0.00 0.00 175.35 175.33 3gfg s HIS 99 N -1.37 2.90 -0.04 3.18 3.76 -0.86 -4.22 115.29 118.64 3gfg s HIS 99 Ca 0.29 1.57 0.02 0.00 -0.15 0.00 0.00 55.06 56.79 3gfg s HIS 99 Cb -0.13 -3.21 0.01 0.00 1.11 0.00 0.00 32.58 30.36 3gfg s HIS 99 CO 0.21 -1.19 -0.08 0.08 -0.85 0.00 0.00 174.74 172.91 3gfg s VAL 100 N -1.78 0.76 -0.25 -0.90 1.01 -0.22 -0.52 120.40 118.50 3gfg s VAL 100 Ca 0.67 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3gfg s VAL 100 Cb -0.22 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3gfg s VAL 100 CO 0.26 0.26 0.06 -0.69 0.00 0.00 0.00 175.10 175.00 3gfg s VAL 101 N 0.61 4.23 0.08 2.92 1.01 -0.49 -1.24 120.40 127.52 3gfg s VAL 101 Ca -0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 3gfg s VAL 101 Cb -0.13 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3gfg s VAL 101 CO 0.01 0.33 0.39 -0.04 0.00 0.00 0.00 175.10 175.79 3gfg s MET 102 N 1.60 3.73 0.61 2.72 1.00 0.39 -0.84 119.30 128.52 3gfg s MET 102 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 55.69 55.74 3gfg s MET 102 Cb -0.15 -2.98 -0.03 0.00 0.00 0.00 0.00 34.83 31.67 3gfg s MET 102 CO 0.03 0.55 1.04 -1.21 0.00 0.00 0.00 175.02 175.44 3gfg s GLU 103 N -1.99 3.35 0.34 2.03 0.41 -0.71 -0.23 118.70 121.91 3gfg s GLU 103 Ca 0.34 1.06 -0.15 0.00 -0.41 0.00 0.00 54.97 55.81 3gfg s GLU 103 Cb -0.14 -2.04 -0.09 0.00 -1.78 0.00 0.00 34.13 30.08 3gfg s GLU 103 CO 0.19 -0.77 0.76 -1.59 -0.49 0.00 0.00 175.26 173.35 3gfg s LYS 104 N -4.41 3.98 0.36 1.61 0.00 -1.26 -3.70 119.74 116.32 3gfg s LYS 104 Ca 0.61 0.67 -0.27 0.00 0.00 0.00 0.00 55.97 56.98 3gfg s LYS 104 Cb -0.14 -2.41 -0.09 0.00 0.00 0.00 0.00 37.83 35.19 3gfg s LYS 104 CO 0.42 0.11 1.18 -1.25 0.00 0.00 0.00 175.35 175.81 3gfg s PRO 105 N -3.13 4.23 0.00 1.78 0.04 -1.26 -5.00 135.00 131.66 3gfg s PRO 105 Ca 0.54 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3gfg s PRO 105 Cb -0.10 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3gfg s PRO 105 CO 0.19 -0.18 0.83 -0.12 0.04 0.00 0.00 177.00 177.76 3gfg n MET 106 N 0.43 0.00 -4.20 4.56 1.56 -1.24 -4.88 117.12 113.34 3gfg n MET 106 Ca 0.02 0.68 -0.16 0.00 -0.27 0.00 0.00 57.70 57.98 3gfg n MET 106 Cb 0.45 -1.33 -0.08 0.00 2.15 0.00 0.00 33.22 34.41 3gfg n MET 106 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gfg s THR 107 N -2.33 0.00 0.16 1.12 -4.23 -1.26 -4.72 115.64 104.38 3gfg s THR 107 Ca 0.00 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3gfg s THR 107 Cb 0.00 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 3gfg s THR 107 CO 0.00 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.56 3gfg h ALA 108 N 2.28 0.61 -3.48 3.99 0.00 -1.90 -3.46 119.26 117.30 3gfg h ALA 108 Ca -0.29 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.60 3gfg h ALA 108 Cb 1.24 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 3gfg h ALA 108 CO 0.42 0.68 -0.81 0.95 0.00 0.00 0.00 179.25 180.48 3gfg s THR 109 N -4.16 1.66 0.34 0.00 -4.23 -1.26 -4.93 115.64 103.07 3gfg s THR 109 Ca -0.09 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.89 3gfg s THR 109 Cb 0.11 -1.56 0.10 0.00 1.34 0.00 0.00 72.50 72.49 3gfg s THR 109 CO 0.86 -0.14 1.81 0.00 -0.54 0.00 0.00 174.62 176.62 3gfg h ALA 110 N 3.92 1.30 -0.84 3.99 0.00 -1.88 -2.82 119.26 122.94 3gfg h ALA 110 Ca -0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3gfg h ALA 110 Cb 1.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3gfg h ALA 110 CO 0.42 0.47 0.50 1.49 0.00 0.00 0.00 179.25 182.13 3gfg h GLU 111 N 0.25 1.13 -0.47 0.00 4.22 -1.97 -1.58 114.58 116.16 3gfg h GLU 111 Ca 0.04 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.31 3gfg h GLU 111 Cb 0.57 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3gfg h GLU 111 CO 0.04 0.79 0.02 0.93 -2.18 0.00 0.00 179.01 178.61 3gfg h GLU 112 N 1.15 0.83 -0.84 1.92 5.08 -1.93 -2.78 114.58 118.01 3gfg h GLU 112 Ca 0.30 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gfg h GLU 112 Cb -0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3gfg h GLU 112 CO -0.06 0.86 0.52 0.78 -1.00 0.00 0.00 179.01 180.12 3gfg h GLY 113 N 0.68 1.20 1.02 -3.84 0.00 -1.32 -2.31 103.07 98.51 3gfg h GLY 113 Ca 0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3gfg h GLY 113 CO 0.02 0.47 0.27 0.83 0.00 0.00 0.00 176.54 178.13 3gfg h GLU 114 N 1.15 1.01 -0.68 4.80 4.39 -1.20 0.08 114.58 124.13 3gfg h GLU 114 Ca 0.30 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3gfg h GLU 114 Cb -0.07 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 3gfg h GLU 114 CO -0.06 0.84 0.44 1.15 -1.16 0.00 0.00 179.01 180.22 3gfg h THR 115 N 0.96 1.13 -0.15 1.13 2.02 -1.20 0.18 112.91 116.98 3gfg h THR 115 Ca 0.23 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3gfg h THR 115 Cb 0.21 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3gfg h THR 115 CO -0.02 0.16 0.08 -0.07 0.37 0.00 0.00 175.52 176.04 3gfg h LEU 116 N 0.87 0.19 -0.53 2.58 3.38 -0.96 -1.08 115.31 119.76 3gfg h LEU 116 Ca 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3gfg h LEU 116 Cb -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3gfg h LEU 116 CO -0.08 0.22 0.35 0.50 0.09 0.00 0.00 178.44 179.52 3gfg h LYS 117 N 0.13 0.70 -0.45 1.13 3.64 -0.52 0.62 116.57 121.82 3gfg h LYS 117 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3gfg h LYS 117 Cb 0.08 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3gfg h LYS 117 CO -0.01 0.47 0.22 0.00 -2.27 0.00 0.00 179.45 177.86 3gfg h ARG 118 N 0.72 0.65 -0.75 1.90 3.08 -0.56 -2.53 114.38 116.90 3gfg h ARG 118 Ca 0.19 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3gfg h ARG 118 Cb -0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 3gfg h ARG 118 CO -0.04 0.55 0.47 0.00 -1.07 0.00 0.00 179.97 179.87 3gfg h ALA 119 N 1.06 0.95 0.03 0.04 0.00 -0.80 -2.13 119.26 118.42 3gfg h ALA 119 Ca 0.15 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gfg h ALA 119 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gfg h ALA 119 CO -0.02 0.40 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 3gfg h ALA 120 N 1.25 -0.16 -0.21 0.00 0.00 -0.67 -2.45 119.26 117.02 3gfg h ALA 120 Ca 0.27 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3gfg h ALA 120 Cb -0.06 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gfg h ALA 120 CO -0.05 -0.62 -0.55 -0.44 0.00 0.00 0.00 179.25 177.59 3gfg h ASP 121 N -0.21 0.71 0.75 0.00 3.32 -1.38 -1.11 116.42 118.50 3gfg h ASP 121 Ca 0.03 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3gfg h ASP 121 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3gfg h ASP 121 CO -0.10 1.12 0.00 1.21 -1.72 0.00 0.00 179.24 179.75 3gfg n GLU 122 N -3.97 0.18 0.00 3.56 0.00 -0.81 -2.11 120.64 117.49 3gfg n GLU 122 Ca -0.03 0.39 0.06 0.00 0.00 0.00 0.00 57.16 57.57 3gfg n GLU 122 Cb 0.61 -1.82 -0.02 0.00 0.00 0.00 0.00 31.44 30.21 3gfg n GLU 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3gfg n LYS 123 N -2.15 2.17 -0.95 5.31 3.00 -0.93 -5.00 118.16 119.61 3gfg n LYS 123 Ca 0.03 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 3gfg n LYS 123 Cb 0.24 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.13 3gfg n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gfg n GLY 124 N 1.06 0.50 3.91 3.14 0.00 -0.53 -4.99 105.19 108.29 3gfg n GLY 124 Ca 0.05 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 3.07 -0.15 1.61 -7.23 -0.58 -5.00 120.40 110.12 3gfg s VAL 125 Ca 0.00 -1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 58.80 3gfg s VAL 125 Cb 0.00 -3.08 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 3gfg s VAL 125 CO 0.00 -0.06 0.27 -0.76 -0.31 0.00 0.00 175.10 174.25 3gfg s LEU 126 N -4.15 4.27 -0.13 1.32 1.43 -1.26 -4.38 118.68 115.78 3gfg s LEU 126 Ca 0.48 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 3gfg s LEU 126 Cb -0.06 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3gfg s LEU 126 CO 0.29 0.15 -0.16 -0.22 0.23 0.00 0.00 176.35 176.64 3gfg s LEU 127 N 0.19 1.80 0.13 1.79 2.96 -1.26 -1.06 118.68 123.23 3gfg s LEU 127 Ca 0.16 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3gfg s LEU 127 Cb -0.13 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3gfg s LEU 127 CO 0.04 -0.00 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.47 3gfg s SER 128 N 1.17 1.19 -0.10 3.68 0.15 -0.37 -3.42 113.70 116.01 3gfg s SER 128 Ca -0.01 -1.07 0.03 0.00 0.70 0.00 0.00 55.95 55.60 3gfg s SER 128 Cb -0.14 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3gfg s SER 128 CO -0.06 -0.50 -0.18 -0.69 1.20 0.00 0.00 173.24 173.02 3gfg s VAL 129 N -3.62 1.64 -0.68 4.45 1.01 -1.26 -0.46 120.40 121.48 3gfg s VAL 129 Ca 0.17 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 3gfg s VAL 129 Cb 0.05 -1.46 -0.15 0.00 0.00 0.00 0.00 36.38 34.82 3gfg s VAL 129 CO -0.01 0.47 1.88 0.00 0.00 0.00 0.00 175.10 177.43 3gfg n TYR 130 N 3.89 1.45 -2.45 5.22 9.36 0.69 -4.73 117.16 130.59 3gfg n TYR 130 Ca -0.20 -1.63 -0.43 0.00 3.32 0.00 0.00 57.90 58.96 3gfg n TYR 130 Cb 0.52 -1.53 0.00 0.00 -0.63 0.00 0.00 39.34 37.70 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 6.78 3.06 0.75 2.98 8.25 -1.26 -4.38 115.22 131.41 3gfg n HIS 131 Ca 0.46 -2.83 0.11 0.00 -0.26 0.00 0.00 57.72 55.20 3gfg n HIS 131 Cb 0.32 -1.90 0.48 0.00 1.12 0.00 0.00 29.99 30.01 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 3.78 0.13 0.00 0.41 6.94 -1.26 -3.28 115.26 121.98 3gfg n ASN 132 Ca 0.38 0.52 0.06 0.00 -0.02 0.00 0.00 54.58 55.52 3gfg n ASN 132 Cb 0.37 -0.55 0.33 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.63 0.27 0.03 -3.83 3.00 -1.26 -0.65 116.66 112.59 3gfg n ARG 133 Ca 0.05 0.09 0.07 0.00 -0.01 0.00 0.00 57.85 58.06 3gfg n ARG 133 Cb 0.28 -1.50 0.32 0.00 0.00 0.00 0.00 32.46 31.57 3gfg n ARG 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gfg n ARG 134 N -1.15 0.04 -0.56 5.56 1.74 -1.20 -2.91 116.66 118.18 3gfg n ARG 134 Ca 0.07 0.32 0.06 0.00 -0.77 0.00 0.00 57.85 57.54 3gfg n ARG 134 Cb 0.07 -1.59 0.18 0.00 -1.02 0.00 0.00 32.46 30.10 3gfg n ARG 134 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3gfg n TRP 135 N -1.67 0.00 -2.35 -1.55 8.01 0.17 -4.50 117.44 115.55 3gfg n TRP 135 Ca 0.03 -1.31 -0.36 0.00 -1.31 0.00 0.00 57.50 54.55 3gfg n TRP 135 Cb 0.16 -0.22 -0.02 0.00 -2.01 0.00 0.00 31.31 29.22 3gfg n TRP 135 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3gfg s ASP 136 N -3.04 6.22 0.15 -0.99 1.11 -1.15 -2.10 116.67 116.87 3gfg s ASP 136 Ca 0.36 2.18 -0.23 0.00 0.18 0.00 0.00 52.55 55.04 3gfg s ASP 136 Cb 0.35 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.76 3gfg s ASP 136 CO -0.06 -0.87 1.63 -0.55 1.18 0.00 0.00 175.17 176.50 3gfg h ASN 137 N 1.91 -0.74 -0.38 0.27 7.08 -1.85 -1.03 115.58 120.85 3gfg h ASN 137 Ca -0.49 0.13 0.05 0.00 -3.08 0.00 0.00 56.30 52.90 3gfg h ASN 137 Cb 1.24 0.34 -0.04 0.00 -2.08 0.00 0.00 38.32 37.78 3gfg h ASN 137 CO 0.60 -0.27 0.13 -2.24 -2.08 0.00 0.00 177.43 173.57 3gfg h ASP 138 N -0.25 0.13 -0.26 6.14 3.04 -1.94 -1.63 116.42 121.64 3gfg h ASP 138 Ca 0.13 0.04 -0.03 0.00 -3.24 0.00 0.00 57.03 53.93 3gfg h ASP 138 Cb 0.45 0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.76 3gfg h ASP 138 CO -0.35 0.11 0.05 0.15 -2.04 0.00 0.00 179.24 177.16 3gfg h PHE 139 N 0.28 0.46 -0.06 4.15 3.57 -1.82 -2.15 116.94 121.37 3gfg h PHE 139 Ca 0.18 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3gfg h PHE 139 Cb 0.16 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3gfg h PHE 139 CO -0.15 0.53 0.04 -0.07 -2.23 0.00 0.00 178.31 176.43 3gfg h LEU 140 N 0.25 0.00 -0.25 0.59 3.38 -1.00 -1.71 115.31 116.57 3gfg h LEU 140 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3gfg h LEU 140 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gfg h LEU 140 CO 0.00 0.00 -0.23 0.74 0.09 0.00 0.00 178.44 179.05 3gfg h THR 141 N 0.00 1.31 -0.51 0.22 2.02 -0.86 -2.42 112.91 112.68 3gfg h THR 141 Ca 0.03 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 3gfg h THR 141 Cb 0.11 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3gfg h THR 141 CO -0.00 0.43 0.26 0.40 0.37 0.00 0.00 175.52 176.99 3gfg h ILE 142 N 0.31 1.18 -0.51 3.11 2.04 -0.71 -1.97 117.51 120.97 3gfg h ILE 142 Ca 0.04 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3gfg h ILE 142 Cb 0.78 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3gfg h ILE 142 CO 0.06 0.20 0.20 0.11 0.00 0.00 0.00 178.15 178.72 3gfg h LYS 143 N 0.68 0.76 -0.66 2.37 1.57 -1.36 -0.04 116.57 119.89 3gfg h LYS 143 Ca 0.18 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3gfg h LYS 143 Cb 0.08 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3gfg h LYS 143 CO -0.03 0.68 0.36 -0.22 -0.57 0.00 0.00 179.45 179.67 3gfg h LYS 144 N 0.68 0.64 -0.55 3.15 3.64 -1.18 0.12 116.57 123.07 3gfg h LYS 144 Ca 0.17 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3gfg h LYS 144 Cb 0.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3gfg h LYS 144 CO -0.01 0.42 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.48 3gfg h LEU 145 N 0.65 0.98 -0.55 5.20 3.38 -1.04 -0.71 115.31 123.22 3gfg h LEU 145 Ca 0.30 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3gfg h LEU 145 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3gfg h LEU 145 CO -0.19 1.07 0.31 0.40 0.09 0.00 0.00 178.44 180.11 3gfg h ILE 146 N 0.87 1.18 0.00 1.22 2.04 -0.42 0.25 117.51 122.65 3gfg h ILE 146 Ca 0.15 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3gfg h ILE 146 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3gfg h ILE 146 CO 0.03 0.19 -0.31 0.77 0.00 0.00 0.00 178.15 178.83 3gfg h SER 147 N 0.74 0.00 0.40 1.72 4.64 -0.61 -2.79 113.55 117.65 3gfg h SER 147 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3gfg h SER 147 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3gfg h SER 147 CO -0.03 0.31 -0.20 -0.62 -0.87 0.00 0.00 176.83 175.42 3gfg n GLU 148 N -3.28 0.57 -2.31 4.77 1.02 -0.29 -4.95 120.64 116.16 3gfg n GLU 148 Ca 0.01 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 3gfg n GLU 148 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3gfg n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 149 N 1.35 0.78 0.00 0.62 0.00 -0.87 -4.98 105.19 102.10 3gfg n GLY 149 Ca 0.12 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.47 3gfg n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 150 N 1.63 1.30 -3.53 1.61 7.64 0.02 -4.64 113.62 117.66 3gfg n SER 150 Ca 0.00 -0.32 -0.29 0.00 1.01 0.00 0.00 58.87 59.27 3gfg n SER 150 Cb 0.49 1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 65.03 3gfg n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gfg n LEU 151 N -1.74 4.07 -4.75 -3.43 4.77 -1.21 -4.74 117.00 109.98 3gfg n LEU 151 Ca -0.01 -5.40 -0.40 0.00 -0.03 0.00 0.00 56.01 50.17 3gfg n LEU 151 Cb 0.31 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 3gfg n LEU 151 CO 0.30 1.99 0.55 -1.61 -1.33 0.00 0.00 177.39 177.28 3gfg s GLU 152 N -2.46 4.62 -1.40 3.23 0.41 -1.26 -4.29 118.70 117.55 3gfg s GLU 152 Ca 0.38 1.25 -0.10 0.00 -0.41 0.00 0.00 54.97 56.09 3gfg s GLU 152 Cb 0.12 -3.33 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 3gfg s GLU 152 CO -0.01 0.37 1.15 -3.47 -0.49 0.00 0.00 175.26 172.81 3gfg n ASP 153 N 2.30 -6.06 -4.50 -0.19 2.03 -1.26 -1.72 116.55 107.16 3gfg n ASP 153 Ca -0.02 -0.59 -0.58 0.00 0.52 0.00 0.00 54.79 54.12 3gfg n ASP 153 Cb 0.49 -4.79 -0.07 0.00 -0.72 0.00 0.00 41.12 36.03 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3gfg n ILE 154 N -4.95 0.19 0.04 5.18 5.41 -1.26 -3.90 119.36 120.08 3gfg n ILE 154 Ca 0.02 -0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.75 3gfg n ILE 154 Cb 0.55 -0.05 -0.04 0.00 -0.71 0.00 0.00 39.64 39.39 3gfg n ILE 154 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3gfg n ASN 155 N 1.60 3.06 -3.73 4.38 0.23 0.35 -4.61 115.26 116.54 3gfg n ASN 155 Ca 0.20 -0.11 -0.13 0.00 -0.53 0.00 0.00 54.58 54.02 3gfg n ASN 155 Cb 0.10 1.23 -0.13 0.00 -2.08 0.00 0.00 39.78 38.90 3gfg n ASN 155 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3gfg s THR 156 N -2.28 -0.04 -0.28 5.53 2.01 -0.87 -0.81 115.64 118.90 3gfg s THR 156 Ca -0.01 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 3gfg s THR 156 Cb 0.04 -0.36 0.09 0.00 0.01 0.00 0.00 72.50 72.28 3gfg s THR 156 CO 0.25 0.06 0.09 -0.47 -0.69 0.00 0.00 174.62 173.86 3gfg s TYR 157 N 1.21 1.26 -0.23 4.92 5.04 -0.87 -0.11 117.35 128.57 3gfg s TYR 157 Ca -0.09 -1.37 -0.02 0.00 -2.44 0.00 0.00 57.07 53.15 3gfg s TYR 157 Cb -0.10 -1.39 0.01 0.00 0.35 0.00 0.00 41.96 40.82 3gfg s TYR 157 CO -0.08 -0.81 -0.07 -0.65 -1.34 0.00 0.00 175.55 172.59 3gfg s GLN 158 N 1.78 3.12 -0.06 4.97 -0.21 0.22 -1.32 119.66 128.14 3gfg s GLN 158 Ca 0.07 -0.79 0.05 0.00 0.02 0.00 0.00 55.36 54.71 3gfg s GLN 158 Cb -0.17 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 30.90 3gfg s GLN 158 CO -0.25 -0.28 -0.21 0.08 -2.12 0.00 0.00 175.29 172.52 3gfg s VAL 159 N 1.39 1.76 -0.04 1.09 1.01 -0.70 -0.39 120.40 124.52 3gfg s VAL 159 Ca 0.04 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3gfg s VAL 159 Cb -0.15 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3gfg s VAL 159 CO -0.05 0.49 -0.21 -0.94 0.00 0.00 0.00 175.10 174.39 3gfg s SER 160 N 0.11 3.45 -0.62 3.32 1.04 -0.72 -1.35 113.70 118.93 3gfg s SER 160 Ca -0.09 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.02 3gfg s SER 160 Cb -0.14 -0.67 0.19 0.00 0.10 0.00 0.00 66.02 65.50 3gfg s SER 160 CO 0.04 0.31 0.52 0.00 0.98 0.00 0.00 173.24 175.09 3gfg n TYR 161 N 2.54 2.36 -3.72 5.02 -0.00 0.13 -4.70 117.16 118.78 3gfg n TYR 161 Ca -0.17 -4.06 -0.29 0.00 -0.00 0.00 0.00 57.90 53.39 3gfg n TYR 161 Cb 0.52 -0.44 -0.04 0.00 -0.00 0.00 0.00 39.34 39.38 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 -1.39 6.41 0.20 2.98 0.01 -1.26 -3.93 114.94 117.95 3gfg s ASN 162 Ca 0.30 0.43 -0.12 0.00 -0.71 0.00 0.00 52.86 52.75 3gfg s ASN 162 Cb 0.03 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.67 3gfg s ASN 162 CO -0.14 0.00 0.41 0.00 -1.51 0.00 0.00 177.10 175.86 3gfg s ARG 163 N -3.07 1.33 -0.49 -0.60 1.70 -0.97 -4.97 118.95 111.89 3gfg s ARG 163 Ca 0.39 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 3gfg s ARG 163 Cb -0.11 0.44 0.13 0.00 -0.57 0.00 0.00 34.95 34.84 3gfg s ARG 163 CO 0.28 -0.53 0.26 -0.47 -1.08 0.00 0.00 175.30 173.75 3gfg s TYR 164 N -3.96 3.47 -0.42 5.89 5.04 -1.25 -2.65 117.35 123.47 3gfg s TYR 164 Ca 0.17 -2.81 0.03 0.00 -2.44 0.00 0.00 57.07 52.01 3gfg s TYR 164 Cb 0.01 -3.06 0.16 0.00 0.35 0.00 0.00 41.96 39.42 3gfg s TYR 164 CO 0.02 -0.87 0.31 1.03 -1.34 0.00 0.00 175.55 174.69 3gfg s ARG 165 N 0.39 0.97 0.45 4.97 0.52 0.85 -4.99 118.95 122.10 3gfg s ARG 165 Ca 0.13 -1.99 0.30 0.00 -0.52 0.00 0.00 55.73 53.65 3gfg s ARG 165 Cb -0.22 -1.63 1.20 0.00 0.52 0.00 0.00 34.95 34.82 3gfg s ARG 165 CO -0.04 -1.31 1.88 -1.00 0.02 0.00 0.00 175.30 174.85 3gfg h PRO 166 N 6.08 0.00 -6.49 3.54 0.13 -1.95 -3.44 132.00 129.88 3gfg h PRO 166 Ca 0.18 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.67 3gfg h PRO 166 Cb 0.91 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.90 3gfg h PRO 166 CO 0.38 0.00 -0.73 -2.00 -0.23 0.00 0.00 178.00 175.42 3gfg s GLU 167 N -3.53 2.04 0.51 0.86 2.56 -1.26 -4.77 118.70 115.11 3gfg s GLU 167 Ca 0.03 -1.22 0.01 0.00 0.00 0.00 0.00 54.97 53.79 3gfg s GLU 167 Cb 0.09 -2.18 0.02 0.00 2.00 0.00 0.00 34.13 34.06 3gfg s GLU 167 CO 0.50 0.45 0.73 0.14 -0.56 0.00 0.00 175.26 176.53 3gfg s VAL 168 N -1.57 3.12 0.00 3.70 -7.23 -1.26 -5.19 120.40 111.97 3gfg s VAL 168 Ca 0.24 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 3gfg s VAL 168 Cb -0.09 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.69 3gfg s VAL 168 CO 0.14 -0.11 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 3gfg n ALA 179 N -2.24 0.00 -2.60 1.32 0.00 -1.26 -5.19 120.51 110.54 3gfg n ALA 179 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 3gfg n ALA 179 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 3gfg n ALA 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gfg s THR 180 N 0.00 1.82 0.00 0.00 -4.23 -1.26 -4.82 115.64 107.16 3gfg s THR 180 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3gfg s THR 180 Cb 0.00 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3gfg s THR 180 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3gfg n GLY 181 N -0.94 1.17 0.17 3.99 0.00 -1.26 -4.61 105.19 103.72 3gfg n GLY 181 Ca -0.05 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 -0.07 2.61 1.35 -1.87 0.11 112.91 115.04 3gfg h THR 182 Ca 0.00 -0.70 -0.09 0.00 -0.55 0.00 0.00 66.41 65.07 3gfg h THR 182 Cb 0.00 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3gfg h THR 182 CO 0.00 0.00 -0.32 0.25 -0.25 0.00 0.00 175.52 175.20 3gfg h LEU 183 N 0.00 0.40 -0.33 3.87 5.85 -1.87 0.35 115.31 123.58 3gfg h LEU 183 Ca 0.00 -0.65 -0.07 0.00 0.84 0.00 0.00 57.88 58.00 3gfg h LEU 183 Cb 0.81 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3gfg h LEU 183 CO 0.00 0.98 -0.06 1.88 -0.34 0.00 0.00 178.44 180.90 3gfg h TYR 184 N -0.15 0.70 0.05 1.25 -1.99 -1.80 -1.83 116.97 113.20 3gfg h TYR 184 Ca -0.02 -0.15 -0.28 0.00 2.00 0.00 0.00 58.73 60.29 3gfg h TYR 184 Cb 0.97 -0.17 0.02 0.00 2.00 0.00 0.00 36.73 39.55 3gfg h TYR 184 CO 0.13 0.79 -1.12 0.22 -0.00 0.00 0.00 178.16 178.18 3gfg h ASP 185 N 0.41 0.87 0.00 3.88 3.58 -0.85 -3.37 116.42 120.94 3gfg h ASP 185 Ca 0.09 -0.74 -0.16 0.00 0.42 0.00 0.00 57.03 56.63 3gfg h ASP 185 Cb 0.55 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3gfg h ASP 185 CO 0.03 1.54 -1.55 0.18 -2.88 0.00 0.00 179.24 176.56 3gfg n LEU 186 N -3.82 1.36 -0.27 2.28 4.77 0.11 -4.67 117.00 116.76 3gfg n LEU 186 Ca -0.12 0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.01 3gfg n LEU 186 Cb 0.92 -0.30 0.22 0.00 -2.33 0.00 0.00 43.42 41.93 3gfg n LEU 186 CO 0.57 0.34 0.98 1.23 -1.33 0.00 0.00 177.39 179.17 3gfg h GLY 187 N -0.05 1.19 0.42 -0.72 0.00 -0.49 -2.08 103.07 101.35 3gfg h GLY 187 Ca -0.24 -0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.13 3gfg h GLY 187 CO -0.12 -0.20 0.63 1.48 0.00 0.00 0.00 176.54 178.32 3gfg h SER 188 N 0.34 0.89 -0.02 0.19 4.64 -1.52 0.73 113.55 118.79 3gfg h SER 188 Ca 0.46 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.86 3gfg h SER 188 Cb 0.80 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 3gfg h SER 188 CO -0.50 0.45 -0.17 0.45 -0.87 0.00 0.00 176.83 176.18 3gfg h HIS 189 N 0.94 -0.44 0.00 4.77 -0.00 -1.65 0.39 115.15 119.15 3gfg h HIS 189 Ca 0.51 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 3gfg h HIS 189 Cb 0.57 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 3gfg h HIS 189 CO -0.00 -0.25 -0.30 -0.84 -0.00 0.00 0.00 177.93 176.55 3gfg h ILE 190 N -0.27 0.00 -0.32 2.45 3.07 -1.32 -2.93 117.51 118.19 3gfg h ILE 190 Ca 0.06 -0.73 -0.15 0.00 1.55 0.00 0.00 64.86 65.59 3gfg h ILE 190 Cb 0.35 1.56 -0.00 0.00 -0.27 0.00 0.00 36.82 38.46 3gfg h ILE 190 CO -0.18 0.00 -0.37 0.40 -1.05 0.00 0.00 178.15 176.95 3gfg h ILE 191 N 0.00 1.29 -0.64 0.16 2.04 0.62 -2.78 117.51 118.20 3gfg h ILE 191 Ca 0.00 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 3gfg h ILE 191 Cb 0.87 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3gfg h ILE 191 CO 0.00 0.50 0.30 -0.78 0.00 0.00 0.00 178.15 178.17 3gfg h ASP 192 N 0.59 0.85 -0.05 1.72 3.58 -0.83 -1.85 116.42 120.43 3gfg h ASP 192 Ca 0.04 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3gfg h ASP 192 Cb 0.96 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3gfg h ASP 192 CO 0.09 0.75 -0.01 1.56 -2.88 0.00 0.00 179.24 178.75 3gfg h GLN 193 N 0.89 0.01 -0.20 0.28 4.20 -1.56 0.21 115.11 118.95 3gfg h GLN 193 Ca 0.22 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.97 3gfg h GLN 193 Cb 0.13 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3gfg h GLN 193 CO -0.03 0.01 -0.03 1.15 -0.67 0.00 0.00 178.83 179.26 3gfg h THR 194 N 0.01 0.82 -0.55 -0.54 2.02 -1.34 -2.28 112.91 111.05 3gfg h THR 194 Ca 0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gfg h THR 194 Cb 0.03 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3gfg h THR 194 CO -0.04 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 176.11 3gfg h LEU 195 N 0.02 0.67 -1.53 2.58 3.38 -0.99 -1.89 115.31 117.55 3gfg h LEU 195 Ca 0.09 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.14 3gfg h LEU 195 Cb 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3gfg h LEU 195 CO -0.19 0.54 0.51 -0.74 0.09 0.00 0.00 178.44 178.65 3gfg h HIS 196 N 0.74 0.55 0.13 1.13 2.76 -0.23 0.14 115.15 120.37 3gfg h HIS 196 Ca 0.20 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 58.08 3gfg h HIS 196 Cb -0.00 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 3gfg h HIS 196 CO -0.02 0.21 -1.53 -0.07 -1.30 0.00 0.00 177.93 175.23 3gfg h LEU 197 N 0.47 0.44 -0.37 0.26 3.38 -0.87 -3.41 115.31 115.22 3gfg h LEU 197 Ca 0.37 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3gfg h LEU 197 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3gfg h LEU 197 CO -0.13 1.67 -0.12 0.49 0.09 0.00 0.00 178.44 180.45 3gfg n PHE 198 N -3.82 0.00 -4.27 1.13 3.72 -0.76 -5.12 117.46 108.34 3gfg n PHE 198 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 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 0.81 -1.52 3.74 1.37 0.00 0.48 -4.90 105.19 105.17 3gfg n GLY 199 Ca 0.01 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 4.69 0.62 1.61 -1.94 -1.26 -4.54 119.30 118.47 3gfg s MET 200 Ca 0.00 1.60 -0.12 0.00 -1.71 0.00 0.00 55.69 55.46 3gfg s MET 200 Cb 0.00 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 3gfg s MET 200 CO 0.00 0.24 1.03 -1.25 -0.01 0.00 0.00 175.02 175.03 3gfg s PRO 201 N -0.59 3.52 0.39 2.03 0.04 -1.26 -4.97 135.00 134.16 3gfg s PRO 201 Ca 0.46 0.83 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3gfg s PRO 201 Cb -0.27 -2.07 0.80 0.00 0.04 0.00 0.00 34.50 33.00 3gfg s PRO 201 CO 0.34 -0.63 2.04 0.87 0.04 0.00 0.00 177.00 179.66 3gfg h LYS 202 N -0.19 0.60 -2.22 4.56 1.57 -1.07 -3.45 116.57 116.36 3gfg h LYS 202 Ca -0.44 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.42 3gfg h LYS 202 Cb 1.19 -0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.22 3gfg h LYS 202 CO 0.61 0.41 0.52 0.00 -0.57 0.00 0.00 179.45 180.41 3gfg s ALA 203 N -5.51 -1.83 -0.06 3.86 0.00 -1.24 -1.87 121.76 115.11 3gfg s ALA 203 Ca -0.09 0.97 0.03 0.00 0.00 0.00 0.00 51.96 52.87 3gfg s ALA 203 Cb 0.17 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3gfg s ALA 203 CO 0.74 -0.72 -0.14 0.08 0.00 0.00 0.00 175.76 175.72 3gfg s VAL 204 N -3.08 1.24 -0.20 0.00 1.01 -0.31 -1.37 120.40 117.68 3gfg s VAL 204 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3gfg s VAL 204 Cb -0.01 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3gfg s VAL 204 CO -0.08 0.37 -0.14 -0.89 0.00 0.00 0.00 175.10 174.37 3gfg s THR 205 N 0.48 1.89 0.10 3.92 2.01 -0.45 -1.06 115.64 122.53 3gfg s THR 205 Ca -0.12 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 60.82 3gfg s THR 205 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3gfg s THR 205 CO 0.04 0.26 -0.13 0.00 -0.69 0.00 0.00 174.62 174.10 3gfg s ALA 206 N 1.30 1.29 -0.09 7.40 0.00 -1.26 -0.36 121.76 130.04 3gfg s ALA 206 Ca -0.01 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.78 3gfg s ALA 206 Cb -0.16 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gfg s ALA 206 CO -0.09 0.06 -0.17 1.21 0.00 0.00 0.00 175.76 176.77 3gfg s ASN 207 N -2.31 2.42 -0.08 0.00 2.47 0.58 -3.51 114.94 114.51 3gfg s ASN 207 Ca 0.05 -0.43 -0.03 0.00 0.42 0.00 0.00 52.86 52.88 3gfg s ASN 207 Cb -0.05 -1.10 0.04 0.00 -1.45 0.00 0.00 41.25 38.69 3gfg s ASN 207 CO 0.02 0.06 0.12 -0.69 -3.72 0.00 0.00 177.10 172.89 3gfg s VAL 208 N 0.69 -0.19 0.28 -5.21 1.01 -1.26 0.08 120.40 115.80 3gfg s VAL 208 Ca -0.13 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3gfg s VAL 208 Cb -0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3gfg s VAL 208 CO 0.03 0.09 0.40 0.00 0.00 0.00 0.00 175.10 175.63 3gfg s MET 209 N 2.23 1.63 -0.41 2.72 0.23 -0.71 -4.95 119.30 120.04 3gfg s MET 209 Ca 0.04 -1.54 -0.16 0.00 -1.03 0.00 0.00 55.69 53.00 3gfg s MET 209 Cb -0.13 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 3gfg s MET 209 CO -0.05 -0.65 0.37 0.00 -2.03 0.00 0.00 175.02 172.66 3gfg s ALA 210 N -3.65 3.45 -0.09 3.16 0.00 -1.26 -1.96 121.76 121.40 3gfg s ALA 210 Ca 0.29 -1.57 0.15 0.00 0.00 0.00 0.00 51.96 50.83 3gfg s ALA 210 Cb 0.01 -2.96 -0.22 0.00 0.00 0.00 0.00 23.12 19.95 3gfg s ALA 210 CO 0.14 -1.48 0.54 0.94 0.00 0.00 0.00 175.76 175.91 3gfg n GLN 211 N 5.40 0.64 -2.83 0.00 7.27 -1.26 -4.95 117.38 121.65 3gfg n GLN 211 Ca -0.09 0.20 -0.40 0.00 0.07 0.00 0.00 57.00 56.78 3gfg n GLN 211 Cb 0.47 -1.73 -0.05 0.00 2.41 0.00 0.00 30.24 31.35 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 -2.65 4.65 0.09 3.69 0.52 -1.26 -4.97 118.95 119.02 3gfg s ARG 212 Ca -0.06 1.32 -0.36 0.00 -0.52 0.00 0.00 55.73 56.11 3gfg s ARG 212 Cb 0.08 -3.35 -0.17 0.00 0.52 0.00 0.00 34.95 32.03 3gfg s ARG 212 CO 0.83 0.31 1.26 -1.91 0.02 0.00 0.00 175.30 175.81 3gfg n GLU 213 N 2.49 0.97 -3.62 3.54 2.13 -1.26 -2.72 120.64 122.16 3gfg n GLU 213 Ca -0.00 0.35 -0.26 0.00 0.66 0.00 0.00 57.16 57.90 3gfg n GLU 213 Cb 0.49 -1.94 0.03 0.00 0.27 0.00 0.00 31.44 30.29 3gfg n GLU 213 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gfg n ASN 214 N 2.28 -5.58 -4.11 4.31 4.13 -1.26 -4.94 115.26 110.08 3gfg n ASN 214 Ca 0.18 -0.88 -0.19 0.00 1.68 0.00 0.00 54.58 55.37 3gfg n ASN 214 Cb 0.19 -3.31 -0.13 0.00 -1.54 0.00 0.00 39.78 34.98 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 -3.32 1.03 -0.11 5.41 0.00 -1.10 -4.98 121.76 118.69 3gfg s ALA 215 Ca 0.33 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 3gfg s ALA 215 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3gfg s ALA 215 CO 0.86 0.19 -0.25 0.39 0.00 0.00 0.00 175.76 176.94 3gfg n GLU 216 N 2.00 0.38 -1.14 0.00 1.02 -1.26 -4.89 120.64 116.75 3gfg n GLU 216 Ca -0.18 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 3gfg n GLU 216 Cb 0.55 -1.15 0.16 0.00 -0.02 0.00 0.00 31.44 30.98 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gfg s THR 217 N -2.52 2.36 0.35 2.62 -4.23 -1.26 -4.81 115.64 108.15 3gfg s THR 217 Ca -0.21 0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 60.15 3gfg s THR 217 Cb 0.03 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 3gfg s THR 217 CO 0.31 -0.15 1.19 -0.69 -0.54 0.00 0.00 174.62 174.74 3gfg s VAL 218 N -2.91 3.10 0.00 2.29 1.01 -1.26 -4.55 120.40 118.08 3gfg s VAL 218 Ca 0.65 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3gfg s VAL 218 Cb -0.19 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3gfg s VAL 218 CO 0.58 0.17 0.36 -0.90 0.00 0.00 0.00 175.10 175.31 3gfg n ASP 219 N 0.53 0.18 -3.74 3.32 5.68 -0.83 -2.53 116.55 119.16 3gfg n ASP 219 Ca 0.02 -1.07 -0.13 0.00 -0.50 0.00 0.00 54.79 53.11 3gfg n ASP 219 Cb 0.45 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.07 -0.22 0.04 2.11 5.04 -1.06 -2.35 117.35 120.84 3gfg s TYR 220 Ca 0.00 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.23 3gfg s TYR 220 Cb 0.00 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.25 3gfg s TYR 220 CO 0.00 -0.19 -0.06 -0.59 -1.34 0.00 0.00 175.55 173.37 3gfg s PHE 221 N 1.17 0.55 -0.17 4.97 -0.12 -0.13 -1.74 117.98 122.50 3gfg s PHE 221 Ca -0.09 -0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 56.19 3gfg s PHE 221 Cb -0.11 -0.34 0.08 0.00 -0.63 0.00 0.00 43.02 42.02 3gfg s PHE 221 CO -0.07 -0.13 0.20 -1.58 -0.05 0.00 0.00 175.22 173.59 3gfg s HIS 222 N -1.66 -0.22 -0.09 3.49 2.46 0.11 -1.71 115.29 117.67 3gfg s HIS 222 Ca -0.10 0.31 0.04 0.00 0.47 0.00 0.00 55.06 55.78 3gfg s HIS 222 Cb -0.08 -0.35 -0.01 0.00 -0.13 0.00 0.00 32.58 32.01 3gfg s HIS 222 CO -0.01 -0.50 -0.22 -0.51 -2.47 0.00 0.00 174.74 171.03 3gfg s LEU 223 N 2.31 2.22 -0.24 8.88 1.02 0.19 -0.30 118.68 132.75 3gfg s LEU 223 Ca 0.05 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 3gfg s LEU 223 Cb -0.15 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.63 3gfg s LEU 223 CO -0.10 0.19 -0.03 -0.89 0.02 0.00 0.00 176.35 175.54 3gfg s THR 224 N 0.15 3.29 -0.37 5.49 2.01 0.52 -0.78 115.64 125.95 3gfg s THR 224 Ca -0.12 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 3gfg s THR 224 Cb -0.16 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.76 3gfg s THR 224 CO 0.07 0.29 0.25 -0.76 -0.69 0.00 0.00 174.62 173.77 3gfg s LEU 225 N 1.43 4.73 -0.24 4.42 1.02 0.10 -1.34 118.68 128.80 3gfg s LEU 225 Ca 0.03 -0.66 -0.26 0.00 0.02 0.00 0.00 54.13 53.27 3gfg s LEU 225 Cb -0.16 -2.13 -0.00 0.00 0.02 0.00 0.00 46.19 43.93 3gfg s LEU 225 CO -0.03 -0.33 0.88 -0.62 0.02 0.00 0.00 176.35 176.28 3gfg s ASP 226 N 1.68 6.90 -0.29 2.29 2.15 -0.47 -2.06 116.67 126.88 3gfg s ASP 226 Ca 0.05 1.13 0.08 0.00 0.43 0.00 0.00 52.55 54.24 3gfg s ASP 226 Cb -0.18 -2.46 0.46 0.00 -0.30 0.00 0.00 42.92 40.44 3gfg s ASP 226 CO 0.10 -0.55 1.18 -1.22 -0.17 0.00 0.00 175.17 174.50 3gfg n TYR 227 N 6.06 2.64 0.00 -5.34 4.01 -0.39 -0.36 117.16 123.78 3gfg n TYR 227 Ca 0.07 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 55.56 3gfg n TYR 227 Cb 0.47 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 -0.69 1.82 0.29 2.72 0.00 -1.26 -2.28 105.19 105.79 3gfg n GLY 228 Ca 0.40 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 0.99 -6.47 1.61 3.64 -1.97 -3.41 116.57 110.96 3gfg h LYS 229 Ca 0.00 -0.18 -0.53 0.00 -1.27 0.00 0.00 60.65 58.68 3gfg h LYS 229 Cb 0.00 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3gfg h LYS 229 CO 0.00 0.82 0.29 -1.17 -2.27 0.00 0.00 179.45 177.13 3gfg s LEU 230 N -9.75 4.47 -0.19 5.20 2.96 -0.97 -4.85 118.68 115.55 3gfg s LEU 230 Ca -0.13 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.46 3gfg s LEU 230 Cb 0.14 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.38 3gfg s LEU 230 CO 0.81 -0.05 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.51 3gfg s GLN 231 N 0.05 2.95 -0.25 1.98 -1.52 0.01 -1.26 119.66 121.62 3gfg s GLN 231 Ca 0.44 -0.86 -0.08 0.00 -1.95 0.00 0.00 55.36 52.91 3gfg s GLN 231 Cb -0.22 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.90 3gfg s GLN 231 CO 0.27 -0.24 0.10 0.00 -0.25 0.00 0.00 175.29 175.17 3gfg s ALA 232 N 1.29 3.29 -0.20 6.09 0.00 -0.87 -2.05 121.76 129.30 3gfg s ALA 232 Ca 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3gfg s ALA 232 Cb -0.14 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 3gfg s ALA 232 CO -0.12 -0.39 -0.09 0.42 0.00 0.00 0.00 175.76 175.58 3gfg s ILE 233 N 1.44 3.00 -0.14 0.00 -1.09 -0.44 0.02 121.20 124.00 3gfg s ILE 233 Ca 0.06 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3gfg s ILE 233 Cb -0.15 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.42 3gfg s ILE 233 CO 0.05 0.47 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.34 3gfg s LEU 234 N 1.26 1.58 0.16 2.97 1.43 0.04 -1.72 118.68 124.41 3gfg s LEU 234 Ca 0.03 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3gfg s LEU 234 Cb -0.14 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3gfg s LEU 234 CO -0.04 -0.06 0.19 -0.72 0.23 0.00 0.00 176.35 175.94 3gfg s TYR 235 N 1.49 0.68 -0.28 0.29 -0.85 -0.46 -0.64 117.35 117.59 3gfg s TYR 235 Ca 0.04 -1.03 -0.26 0.00 -0.52 0.00 0.00 57.07 55.30 3gfg s TYR 235 Cb -0.13 -0.27 0.16 0.00 0.38 0.00 0.00 41.96 42.10 3gfg s TYR 235 CO -0.09 -0.65 1.27 0.20 -1.52 0.00 0.00 175.55 174.76 3gfg s GLY 236 N -3.03 0.11 0.47 5.49 0.00 -0.70 0.18 107.32 109.85 3gfg s GLY 236 Ca 0.23 3.04 0.02 0.00 0.00 0.00 0.00 44.72 48.01 3gfg s GLY 236 CO 0.03 1.70 0.06 -0.32 0.00 0.00 0.00 173.10 174.56 3gfg s GLY 237 N -0.18 2.86 0.00 0.20 0.00 -1.25 -0.96 107.32 107.99 3gfg s GLY 237 Ca 0.05 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.08 3gfg s GLY 237 CO -0.10 -2.05 0.44 1.44 0.00 0.00 0.00 173.10 172.84 3gfg n SER 238 N -1.29 0.89 -3.00 1.64 7.64 -0.99 -2.29 113.62 116.22 3gfg n SER 238 Ca -0.14 -0.94 -0.30 0.00 1.01 0.00 0.00 58.87 58.50 3gfg n SER 238 Cb 0.66 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 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 -0.27 3.52 -3.94 0.44 5.41 -1.24 -0.11 119.36 123.17 3gfg n ILE 239 Ca 0.02 -5.54 -0.30 0.00 1.00 0.00 0.00 62.75 57.93 3gfg n ILE 239 Cb 0.08 -1.40 -0.14 0.00 -0.71 0.00 0.00 39.64 37.46 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 -4.61 2.22 0.16 1.39 1.01 -1.08 -5.02 120.40 114.48 3gfg s VAL 240 Ca 0.47 -2.74 -0.15 0.00 0.00 0.00 0.00 61.98 59.56 3gfg s VAL 240 Cb 0.28 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 34.12 3gfg s VAL 240 CO -0.15 -0.73 1.77 -0.65 0.00 0.00 0.00 175.10 175.34 3gfg h PRO 241 N 7.05 0.37 -5.01 2.72 0.11 -1.93 -3.34 132.00 131.97 3gfg h PRO 241 Ca -0.06 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.42 3gfg h PRO 241 Cb 0.95 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.65 3gfg h PRO 241 CO 0.59 0.24 -0.85 0.00 -0.21 0.00 0.00 178.00 177.77 3gfg s ALA 242 N -6.15 1.79 0.37 -0.75 0.00 -1.26 -4.94 121.76 110.82 3gfg s ALA 242 Ca -0.13 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 3gfg s ALA 242 Cb 0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 3gfg s ALA 242 CO 0.72 0.22 1.11 -0.80 0.00 0.00 0.00 175.76 177.01 3gfg s ASN 243 N 0.47 6.79 0.82 0.00 0.01 -1.26 -5.08 114.94 116.69 3gfg s ASN 243 Ca -0.17 2.21 -0.04 0.00 -0.71 0.00 0.00 52.86 54.15 3gfg s ASN 243 Cb -0.17 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 38.95 3gfg s ASN 243 CO 0.07 -0.48 0.45 0.61 -1.51 0.00 0.00 177.10 176.24 3gfg n GLY 244 N 0.66 -0.51 3.71 0.66 0.00 -1.26 -5.02 105.19 103.42 3gfg n GLY 244 Ca 0.03 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.91 2.28 -0.03 1.61 -0.04 -1.26 -4.75 135.00 130.90 3gfg n PRO 245 Ca 0.06 0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 64.18 3gfg n PRO 245 Cb 0.22 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.50 0.74 -6.13 0.54 2.43 -0.50 -3.40 114.38 111.57 3gfg h ARG 246 Ca -0.47 -0.54 -0.66 0.00 -0.81 0.00 0.00 59.98 57.50 3gfg h ARG 246 Cb 1.26 0.09 -0.31 0.00 -0.42 0.00 0.00 29.97 30.60 3gfg h ARG 246 CO 0.70 1.16 -0.88 0.71 -1.51 0.00 0.00 179.97 180.15 3gfg s TYR 247 N -3.90 2.22 -0.12 2.20 2.02 -0.59 -1.75 117.35 117.43 3gfg s TYR 247 Ca -0.09 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.04 3gfg s TYR 247 Cb 0.10 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3gfg s TYR 247 CO 0.88 -0.12 0.04 -0.65 -1.57 0.00 0.00 175.55 174.13 3gfg s GLN 248 N -0.34 0.38 -0.10 -0.62 -0.21 0.48 -1.63 119.66 117.62 3gfg s GLN 248 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.39 3gfg s GLN 248 Cb -0.11 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.55 3gfg s GLN 248 CO 0.01 -0.47 -0.10 0.42 -2.12 0.00 0.00 175.29 173.02 3gfg s ILE 249 N 2.01 1.16 -0.22 1.08 1.01 -0.73 0.69 121.20 126.20 3gfg s ILE 249 Ca 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3gfg s ILE 249 Cb -0.14 -1.11 0.05 0.00 0.01 0.00 0.00 42.46 41.26 3gfg s ILE 249 CO -0.06 0.38 -0.13 -1.00 0.00 0.00 0.00 174.94 174.12 3gfg s HIS 250 N 1.26 2.92 0.54 3.97 3.76 0.84 -1.10 115.29 127.48 3gfg s HIS 250 Ca -0.03 -1.96 0.06 0.00 -0.15 0.00 0.00 55.06 52.99 3gfg s HIS 250 Cb -0.14 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.74 3gfg s HIS 250 CO -0.04 -0.83 0.48 0.20 -0.85 0.00 0.00 174.74 173.70 3gfg s GLY 251 N 1.23 2.23 0.61 -2.22 0.00 0.13 0.13 107.32 109.43 3gfg s GLY 251 Ca -0.03 -1.48 0.37 0.00 0.00 0.00 0.00 44.72 43.57 3gfg s GLY 251 CO -0.08 -1.87 2.26 0.07 0.00 0.00 0.00 173.10 173.48 3gfg h LYS 252 N 0.66 0.00 0.00 2.90 2.10 -1.45 -3.12 116.57 117.67 3gfg h LYS 252 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 3gfg h LYS 252 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3gfg h LYS 252 CO 0.54 0.02 -0.71 -0.25 -2.00 0.00 0.00 179.45 177.05 3gfg n ASP 253 N -3.36 3.53 -4.01 7.07 10.43 -1.26 -5.04 116.55 123.91 3gfg n ASP 253 Ca -0.02 -0.04 -0.10 0.00 2.57 0.00 0.00 54.79 57.20 3gfg n ASP 253 Cb 0.12 0.78 -0.07 0.00 1.84 0.00 0.00 41.12 43.80 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3gfg s SER 254 N -1.48 -0.00 0.03 -2.24 1.04 -1.18 -1.09 113.70 108.77 3gfg s SER 254 Ca 0.00 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 3gfg s SER 254 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3gfg s SER 254 CO 0.00 -0.99 0.23 -0.44 0.98 0.00 0.00 173.24 173.02 3gfg s SER 255 N -3.02 -0.04 -0.19 7.02 0.01 -0.83 0.19 113.70 116.84 3gfg s SER 255 Ca 0.23 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 3gfg s SER 255 Cb 0.02 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.63 3gfg s SER 255 CO 0.05 -0.53 0.18 0.12 0.41 0.00 0.00 173.24 173.48 3gfg s PHE 256 N -2.19 -0.14 -0.12 2.43 5.36 -0.25 -1.56 117.98 121.50 3gfg s PHE 256 Ca -0.08 0.05 -0.03 0.00 -0.96 0.00 0.00 56.93 55.92 3gfg s PHE 256 Cb -0.03 -0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 42.16 3gfg s PHE 256 CO -0.02 -0.58 -0.03 0.42 -1.46 0.00 0.00 175.22 173.55 3gfg s ILE 257 N 2.27 3.98 -0.14 3.12 -1.09 -1.01 -1.77 121.20 126.56 3gfg s ILE 257 Ca 0.05 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 3gfg s ILE 257 Cb -0.16 -2.71 0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3gfg s ILE 257 CO -0.11 0.54 0.36 -0.75 -1.23 0.00 0.00 174.94 173.75 3gfg s LYS 258 N -0.13 0.41 0.31 2.79 2.20 -0.65 -1.38 119.74 123.29 3gfg s LYS 258 Ca 0.03 0.54 0.07 0.00 -0.36 0.00 0.00 55.97 56.25 3gfg s LYS 258 Cb -0.13 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 3gfg s LYS 258 CO 0.02 -0.07 0.27 0.71 -0.36 0.00 0.00 175.35 175.92 3gfg s TYR 259 N 0.36 2.99 0.00 4.03 2.02 -1.26 0.23 117.35 125.72 3gfg s TYR 259 Ca -0.01 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 3gfg s TYR 259 Cb -0.03 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3gfg s TYR 259 CO -0.01 0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 3gfg n GLY 260 N -1.32 -0.78 3.61 0.71 0.00 -1.26 -4.82 105.19 101.33 3gfg n GLY 260 Ca -0.04 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3gfg n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gfg s ILE 261 N -2.31 1.41 0.43 -0.61 -4.36 -1.26 -4.78 121.20 109.72 3gfg s ILE 261 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.15 3gfg s ILE 261 Cb 0.00 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.00 3gfg s ILE 261 CO 0.00 0.00 1.21 -0.62 0.24 0.00 0.00 174.94 175.77 3gfg s ASP 262 N -3.70 6.27 0.00 4.36 2.15 -1.26 -4.99 116.67 119.51 3gfg s ASP 262 Ca 0.26 2.44 0.25 0.00 0.43 0.00 0.00 52.55 55.93 3gfg s ASP 262 Cb 0.06 -2.62 0.42 0.00 -0.30 0.00 0.00 42.92 40.49 3gfg s ASP 262 CO 0.13 -0.86 1.38 0.61 -0.17 0.00 0.00 175.17 176.26 3gfg n GLY 263 N 0.60 0.35 0.23 2.66 0.00 -1.26 -4.59 105.19 103.18 3gfg n GLY 263 Ca 0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 3.22 0.75 -0.81 1.61 4.20 -1.93 -1.92 115.11 120.23 3gfg h GLN 264 Ca 0.00 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.63 3gfg h GLN 264 Cb 0.77 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 3gfg h GLN 264 CO 0.00 0.67 0.53 0.93 -0.67 0.00 0.00 178.83 180.29 3gfg h GLU 265 N 0.67 0.88 -0.06 1.46 5.08 -1.99 -0.31 114.58 120.31 3gfg h GLU 265 Ca 0.17 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 265 Cb 0.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gfg h GLU 265 CO -0.01 0.58 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.98 3gfg h ASP 266 N 0.90 0.24 -0.64 1.42 3.32 -1.80 0.25 116.42 120.11 3gfg h ASP 266 Ca 0.35 -0.60 0.12 0.00 0.02 0.00 0.00 57.03 56.92 3gfg h ASP 266 Cb 0.21 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 39.56 3gfg h ASP 266 CO -0.12 0.80 -0.23 0.00 -1.72 0.00 0.00 179.24 177.97 3gfg h ALA 267 N 0.45 0.26 -0.60 3.45 0.00 -1.19 0.14 119.26 121.77 3gfg h ALA 267 Ca -0.00 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3gfg h ALA 267 Cb 0.77 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3gfg h ALA 267 CO 0.03 -0.52 0.10 -0.07 0.00 0.00 0.00 179.25 178.80 3gfg h LEU 268 N -0.07 0.92 -0.90 0.00 3.38 -0.95 -1.10 115.31 116.59 3gfg h LEU 268 Ca 0.29 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3gfg h LEU 268 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3gfg h LEU 268 CO -0.69 0.92 -0.08 0.03 0.09 0.00 0.00 178.44 178.70 3gfg h ARG 269 N 0.91 0.72 0.00 1.13 3.08 0.72 -2.40 114.38 118.55 3gfg h ARG 269 Ca 0.19 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3gfg h ARG 269 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3gfg h ARG 269 CO 0.01 0.79 -0.17 0.00 -1.07 0.00 0.00 179.97 179.53 3gfg h ALA 270 N 1.25 1.02 0.00 0.04 0.00 -0.60 -3.47 119.26 117.50 3gfg h ALA 270 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gfg h ALA 270 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gfg h ALA 270 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3gfg n GLY 271 N 0.15 0.70 3.32 0.00 0.00 -0.90 -5.11 105.19 103.35 3gfg n GLY 271 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.59 1.22 0.01 1.61 0.52 -0.46 -5.01 118.95 117.45 3gfg s ARG 272 Ca 0.00 -1.30 0.06 0.00 -0.52 0.00 0.00 55.73 53.97 3gfg s ARG 272 Cb 0.00 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.04 3gfg s ARG 272 CO 0.00 0.31 -0.18 0.15 0.02 0.00 0.00 175.30 175.60 3gfg s LYS 273 N -2.36 1.31 -1.10 3.54 1.02 -1.26 -4.01 119.74 116.89 3gfg s LYS 273 Ca 0.12 -0.74 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 3gfg s LYS 273 Cb -0.08 -1.33 -0.19 0.00 -0.52 0.00 0.00 37.83 35.71 3gfg s LYS 273 CO 0.06 0.35 2.08 -1.25 -0.92 0.00 0.00 175.35 175.67 3gfg s PRO 274 N -0.77 1.50 -0.03 -1.68 0.04 -1.26 -4.70 135.00 128.11 3gfg s PRO 274 Ca 0.06 -0.58 -0.01 0.00 0.04 0.00 0.00 61.00 60.50 3gfg s PRO 274 Cb -0.07 -5.04 -0.01 0.00 0.04 0.00 0.00 34.50 29.42 3gfg s PRO 274 CO 0.00 -5.12 0.13 0.93 0.04 0.00 0.00 177.00 172.99 3gfg h GLU 275 N 11.19 -0.05 0.00 4.56 5.08 -2.01 -3.50 114.58 129.86 3gfg h GLU 275 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 275 Cb 0.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3gfg h GLU 275 CO 1.06 -0.03 0.00 -0.40 -1.00 0.00 0.00 179.01 178.64 3gfg n ASP 276 N -2.91 0.00 0.16 1.42 3.85 -1.26 -5.02 116.55 112.79 3gfg n ASP 276 Ca -0.01 -0.72 0.08 0.00 -0.71 0.00 0.00 54.79 53.43 3gfg n ASP 276 Cb 0.02 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 39.86 3gfg n ASP 276 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 3gfg h ASP 277 N 0.00 0.00 -0.07 -1.12 3.58 -2.02 -3.31 116.42 113.48 3gfg h ASP 277 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3gfg h ASP 277 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3gfg h ASP 277 CO 0.00 0.22 0.00 -1.54 -2.88 0.00 0.00 179.24 175.04 3gfg n SER 278 N -3.05 0.65 -4.73 2.28 3.41 -1.26 -4.91 113.62 106.01 3gfg n SER 278 Ca 0.01 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 3gfg n SER 278 Cb 0.63 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.91 2.98 -0.95 7.33 -0.11 -1.25 -3.07 118.94 121.97 3gfg s TRP 279 Ca 0.28 0.81 0.00 0.00 1.22 0.00 0.00 56.10 58.41 3gfg s TRP 279 Cb 0.14 -3.92 0.00 0.00 -1.50 0.00 0.00 33.47 28.19 3gfg s TRP 279 CO 0.22 -3.18 0.00 0.41 -4.62 0.00 0.00 176.95 169.78 3gfg n GLY 280 N 2.84 0.05 3.77 5.86 0.00 -1.26 -4.30 105.19 112.15 3gfg n GLY 280 Ca 0.10 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.52 3.19 0.56 4.61 0.00 -1.17 -1.49 121.76 124.93 3gfg s ALA 281 Ca 0.00 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 3gfg s ALA 281 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 3gfg s ALA 281 CO 0.00 -0.88 0.86 0.34 0.00 0.00 0.00 175.76 176.08 3gfg s ASP 282 N -0.80 5.74 -0.03 0.00 -1.08 -1.26 -4.75 116.67 114.50 3gfg s ASP 282 Ca 0.59 0.73 -0.20 0.00 -0.52 0.00 0.00 52.55 53.15 3gfg s ASP 282 Cb -0.38 -1.80 -0.05 0.00 -1.46 0.00 0.00 42.92 39.23 3gfg s ASP 282 CO 0.48 -0.94 0.56 -0.69 0.52 0.00 0.00 175.17 175.10 3gfg s VAL 283 N -2.91 4.97 0.16 1.11 1.01 -1.26 -5.00 120.40 118.49 3gfg s VAL 283 Ca 0.52 1.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 3gfg s VAL 283 Cb -0.10 -3.89 0.25 0.00 0.00 0.00 0.00 36.38 32.64 3gfg s VAL 283 CO 0.45 0.41 0.94 -2.65 0.00 0.00 0.00 175.10 174.25 3gfg n PRO 284 N 2.84 -0.07 0.29 2.72 -0.01 -1.26 0.31 135.00 139.83 3gfg n PRO 284 Ca -0.07 0.94 0.18 0.00 -0.01 0.00 0.00 63.50 64.53 3gfg n PRO 284 Cb 0.51 -1.40 0.84 0.00 -0.01 0.00 0.00 33.50 33.44 3gfg n PRO 284 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3gfg h GLU 285 N 0.00 0.00 -0.44 -0.52 3.07 -2.03 -3.22 114.58 111.43 3gfg h GLU 285 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3gfg h GLU 285 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3gfg h GLU 285 CO -0.62 0.02 0.00 1.19 -1.40 0.00 0.00 179.01 178.21 3gfg n PHE 286 N -3.16 0.74 -2.10 4.33 3.72 0.15 -4.99 117.46 116.15 3gfg n PHE 286 Ca -0.01 -0.56 -0.39 0.00 -0.05 0.00 0.00 57.45 56.44 3gfg n PHE 286 Cb 0.24 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3gfg n PHE 286 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3gfg s TYR 287 N -1.33 2.88 1.19 1.38 2.02 -1.17 -4.42 117.35 117.89 3gfg s TYR 287 Ca 0.34 1.44 -0.16 0.00 -0.37 0.00 0.00 57.07 58.31 3gfg s TYR 287 Cb 0.20 -3.62 0.28 0.00 -0.40 0.00 0.00 41.96 38.41 3gfg s TYR 287 CO 0.19 -1.94 1.04 0.20 -1.57 0.00 0.00 175.55 173.47 3gfg s GLY 288 N -0.79 1.53 -0.14 0.71 0.00 -1.23 -4.81 107.32 102.59 3gfg s GLY 288 Ca 0.56 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 3gfg s GLY 288 CO 0.47 0.27 -0.02 0.54 0.00 0.00 0.00 173.10 174.36 3gfg s LYS 289 N -4.92 1.08 -0.24 2.90 1.02 -0.48 -2.17 119.74 116.92 3gfg s LYS 289 Ca 0.68 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 56.23 3gfg s LYS 289 Cb -0.18 -1.73 -0.05 0.00 -0.52 0.00 0.00 37.83 35.35 3gfg s LYS 289 CO 0.60 -0.43 0.25 -1.17 -0.92 0.00 0.00 175.35 173.68 3gfg s LEU 290 N 1.77 4.09 -0.08 3.17 2.96 0.16 -2.41 118.68 128.35 3gfg s LEU 290 Ca 0.02 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3gfg s LEU 290 Cb -0.15 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3gfg s LEU 290 CO -0.07 -0.03 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.00 3gfg s THR 291 N 1.40 3.94 -0.10 3.68 2.01 -0.60 -0.72 115.64 125.25 3gfg s THR 291 Ca 0.11 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 3gfg s THR 291 Cb -0.15 -2.63 0.04 0.00 0.01 0.00 0.00 72.50 69.77 3gfg s THR 291 CO 0.07 0.60 0.04 -0.89 -0.69 0.00 0.00 174.62 173.75 3gfg s THR 292 N -0.77 0.19 -0.38 -0.82 2.01 -0.94 -1.97 115.64 112.96 3gfg s THR 292 Ca 0.12 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 3gfg s THR 292 Cb -0.11 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.91 3gfg s THR 292 CO 0.02 0.08 0.23 -0.63 -0.69 0.00 0.00 174.62 173.63 3gfg s ILE 293 N 2.04 4.81 -0.81 1.82 1.01 -0.25 -3.34 121.20 126.47 3gfg s ILE 293 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3gfg s ILE 293 Cb -0.13 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 38.88 3gfg s ILE 293 CO -0.06 -0.23 0.68 0.54 0.00 0.00 0.00 174.94 175.87 3gfg n ARG 294 N 5.05 2.35 0.00 2.79 3.00 -1.05 -4.87 116.66 123.93 3gfg n ARG 294 Ca -0.12 -4.50 0.00 0.00 -0.01 0.00 0.00 57.85 53.22 3gfg n ARG 294 Cb 0.47 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.57 3gfg n ARG 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gfg n GLY 295 N 2.04 0.90 0.10 -0.13 0.00 -1.26 -3.83 105.19 103.00 3gfg n GLY 295 Ca 0.22 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.98 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 1.09 0.78 -4.67 1.61 3.41 -1.26 -4.89 113.62 109.69 3gfg n SER 296 Ca 0.00 0.32 -0.47 0.00 -0.26 0.00 0.00 58.87 58.46 3gfg n SER 296 Cb 0.00 0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3gfg n SER 296 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gfg n ASP 297 N -2.74 3.22 -4.30 4.04 2.03 -1.25 -5.01 116.55 112.54 3gfg n ASP 297 Ca -0.05 1.04 -0.16 0.00 0.52 0.00 0.00 54.79 56.13 3gfg n ASP 297 Cb 0.69 -1.40 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 3gfg n ASP 297 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3gfg s LYS 298 N 2.22 1.20 -0.21 -0.67 2.20 -1.26 -2.52 119.74 120.69 3gfg s LYS 298 Ca 0.85 -1.54 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 3gfg s LYS 298 Cb -0.69 -0.78 0.10 0.00 -1.51 0.00 0.00 37.83 34.95 3gfg s LYS 298 CO 0.44 0.08 0.89 0.21 -0.36 0.00 0.00 175.35 176.60 3gfg s LYS 299 N -3.74 0.70 -0.09 4.03 2.20 -1.21 -5.05 119.74 116.59 3gfg s LYS 299 Ca 0.21 0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 56.34 3gfg s LYS 299 Cb 0.02 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 3gfg s LYS 299 CO 0.04 -0.15 -0.05 0.99 -0.36 0.00 0.00 175.35 175.82 3gfg s THR 300 N -0.30 0.76 -0.11 3.43 2.01 -1.26 -2.20 115.64 117.96 3gfg s THR 300 Ca -0.01 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3gfg s THR 300 Cb -0.03 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 3gfg s THR 300 CO 0.00 0.32 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.41 3gfg s GLU 301 N 1.67 3.19 -0.13 4.92 2.12 0.10 -5.00 118.70 125.58 3gfg s GLU 301 Ca 0.02 -0.70 -0.19 0.00 0.36 0.00 0.00 54.97 54.47 3gfg s GLU 301 Cb -0.13 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 3gfg s GLU 301 CO -0.06 0.30 0.53 0.99 -0.54 0.00 0.00 175.26 176.48 3gfg s THR 302 N 0.12 5.14 -0.36 -1.70 2.01 -1.26 -0.66 115.64 118.94 3gfg s THR 302 Ca -0.07 1.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.93 3gfg s THR 302 Cb -0.15 -3.87 0.06 0.00 0.01 0.00 0.00 72.50 68.55 3gfg s THR 302 CO 0.05 0.28 0.13 -0.63 -0.69 0.00 0.00 174.62 173.76 3gfg s ILE 303 N 0.87 3.69 0.10 1.82 -1.09 -0.92 -4.97 121.20 120.69 3gfg s ILE 303 Ca 0.28 -1.33 -0.31 0.00 -2.23 0.00 0.00 60.65 57.06 3gfg s ILE 303 Cb -0.16 -3.18 -0.10 0.00 -1.58 0.00 0.00 42.46 37.45 3gfg s ILE 303 CO 0.12 -0.29 1.83 -2.84 -1.23 0.00 0.00 174.94 172.52 3gfg s PRO 304 N 1.35 4.14 0.58 2.79 0.02 -1.26 -3.58 135.00 139.04 3gfg s PRO 304 Ca -0.00 2.56 -0.19 0.00 0.02 0.00 0.00 61.00 63.39 3gfg s PRO 304 Cb -0.21 -3.70 -0.04 0.00 0.02 0.00 0.00 34.50 30.58 3gfg s PRO 304 CO 0.01 -0.85 1.18 -1.12 -0.33 0.00 0.00 177.00 175.89 3gfg s SER 305 N 2.98 5.35 0.38 2.53 0.01 -1.26 -5.01 113.70 118.68 3gfg s SER 305 Ca 0.81 2.32 -0.25 0.00 1.31 0.00 0.00 55.95 60.14 3gfg s SER 305 Cb -0.45 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.10 3gfg s SER 305 CO 0.37 -1.48 1.10 -0.69 0.41 0.00 0.00 173.24 172.95 3gfg s VAL 306 N -1.66 3.46 0.16 3.43 1.01 -1.26 -4.79 120.40 120.76 3gfg s VAL 306 Ca 0.76 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 63.65 3gfg s VAL 306 Cb -0.28 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3gfg s VAL 306 CO 0.31 0.11 1.40 0.20 0.00 0.00 0.00 175.10 177.12 3gfg s ASN 307 N -1.27 6.79 0.35 3.32 -0.87 -1.26 -4.30 114.94 117.70 3gfg s ASN 307 Ca 0.55 2.42 -0.27 0.00 -1.57 0.00 0.00 52.86 53.98 3gfg s ASN 307 Cb -0.27 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.24 3gfg s ASN 307 CO 0.34 -0.65 1.20 0.61 -2.57 0.00 0.00 177.10 176.03 3gfg n GLY 308 N 3.10 0.32 2.37 0.66 0.00 -0.55 -4.73 105.19 106.36 3gfg n GLY 308 Ca 0.10 0.28 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 3gfg n GLY 308 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfg n SER 309 N 0.76 -0.27 -0.23 1.61 2.88 -0.89 -4.40 113.62 113.08 3gfg n SER 309 Ca 0.06 -3.22 0.32 0.00 -1.33 0.00 0.00 58.87 54.70 3gfg n SER 309 Cb 0.36 0.23 0.72 0.00 -0.75 0.00 0.00 64.21 64.77 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 3.06 0.00 -0.77 0.66 0.05 -1.89 0.86 116.97 118.94 3gfg h TYR 310 Ca 0.03 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.88 3gfg h TYR 310 Cb 1.01 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.70 3gfg h TYR 310 CO 0.41 0.00 0.50 -0.07 -1.05 0.00 0.00 178.16 177.95 3gfg h LEU 311 N 0.00 0.70 -1.46 3.88 3.38 -1.96 -2.25 115.31 117.60 3gfg h LEU 311 Ca 0.48 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.70 3gfg h LEU 311 Cb 2.07 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 3gfg h LEU 311 CO -0.01 0.44 0.64 0.74 0.09 0.00 0.00 178.44 180.35 3gfg h THR 312 N 0.79 0.60 0.44 0.22 2.02 -1.24 0.24 112.91 115.97 3gfg h THR 312 Ca 0.34 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3gfg h THR 312 Cb 0.29 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3gfg h THR 312 CO -0.12 0.07 -0.31 0.22 0.37 0.00 0.00 175.52 175.75 3gfg h TYR 313 N 0.39 -0.82 0.00 3.16 3.20 -1.56 -1.78 116.97 119.56 3gfg h TYR 313 Ca 0.53 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.32 3gfg h TYR 313 Cb 1.37 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.93 3gfg h TYR 313 CO -0.00 -0.46 -0.37 1.88 -1.64 0.00 0.00 178.16 177.57 3gfg h TYR 314 N -0.73 0.00 -0.60 -3.82 0.05 -1.44 -1.10 116.97 109.34 3gfg h TYR 314 Ca -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3gfg h TYR 314 Cb 0.62 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 3gfg h TYR 314 CO -0.13 0.37 0.30 0.00 -1.05 0.00 0.00 178.16 177.65 3gfg h ARG 315 N 0.00 0.85 0.00 4.88 3.08 -0.94 -1.92 114.38 120.33 3gfg h ARG 315 Ca -0.00 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 3gfg h ARG 315 Cb 0.96 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3gfg h ARG 315 CO 0.05 0.67 -0.87 0.87 -1.07 0.00 0.00 179.97 179.61 3gfg h LYS 316 N 0.81 0.03 -0.55 0.04 1.57 -1.08 -1.82 116.57 115.58 3gfg h LYS 316 Ca 0.21 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3gfg h LYS 316 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3gfg h LYS 316 CO -0.03 0.88 0.15 0.82 -0.57 0.00 0.00 179.45 180.70 3gfg h ILE 317 N 0.01 1.22 -0.59 1.86 1.08 -1.20 -1.54 117.51 118.36 3gfg h ILE 317 Ca -0.02 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.59 3gfg h ILE 317 Cb 1.54 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 3gfg h ILE 317 CO 0.12 0.30 0.07 0.00 -0.69 0.00 0.00 178.15 177.94 3gfg h ALA 318 N 1.36 0.78 -0.29 1.87 0.00 -1.05 -2.42 119.26 119.52 3gfg h ALA 318 Ca 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3gfg h ALA 318 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gfg h ALA 318 CO -0.00 0.55 -0.15 0.93 0.00 0.00 0.00 179.25 180.58 3gfg h GLU 319 N 0.88 0.51 -0.26 0.00 5.08 -1.18 -2.47 114.58 117.15 3gfg h GLU 319 Ca 0.17 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3gfg h GLU 319 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3gfg h GLU 319 CO 0.02 0.65 0.01 0.77 -1.00 0.00 0.00 179.01 179.45 3gfg h SER 320 N 0.46 0.44 0.17 1.42 0.02 -1.18 -0.98 113.55 113.90 3gfg h SER 320 Ca 0.08 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 3gfg h SER 320 Cb 0.54 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3gfg h SER 320 CO 0.03 0.63 -0.38 0.40 -1.14 0.00 0.00 176.83 176.37 3gfg h ILE 321 N 0.23 1.30 0.00 3.27 2.04 -1.33 -2.27 117.51 120.74 3gfg h ILE 321 Ca 0.07 -1.47 -0.28 0.00 1.00 0.00 0.00 64.86 64.18 3gfg h ILE 321 Cb 0.40 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 3gfg h ILE 321 CO 0.01 0.44 -2.21 0.54 0.00 0.00 0.00 178.15 176.94 3gfg n ARG 322 N -4.05 0.93 0.00 2.37 5.12 -0.94 -4.68 116.66 115.41 3gfg n ARG 322 Ca -0.01 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3gfg n ARG 322 Cb 0.47 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gfg n GLU 323 N -2.60 0.24 -0.98 5.56 1.02 -0.39 -5.04 120.64 118.45 3gfg n GLU 323 Ca -0.26 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 3gfg n GLU 323 Cb 1.01 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 324 N -0.09 0.85 3.42 0.62 0.00 -0.85 -4.96 105.19 104.18 3gfg n GLY 324 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3gfg n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg n ALA 325 N 1.00 -2.19 -1.77 4.61 0.00 -1.23 -4.92 120.51 116.02 3gfg n ALA 325 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 3gfg n ALA 325 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 3gfg n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfg s ALA 326 N -2.12 3.39 0.46 0.00 0.00 -1.26 -4.41 121.76 117.83 3gfg s ALA 326 Ca 0.60 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.63 3gfg s ALA 326 Cb -0.28 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 3gfg s ALA 326 CO 0.63 -0.82 1.34 1.28 0.00 0.00 0.00 175.76 178.20 3gfg n LEU 327 N 0.40 4.73 0.09 0.00 4.77 -1.26 -4.81 117.00 120.92 3gfg n LEU 327 Ca 0.02 1.08 0.05 0.00 -0.03 0.00 0.00 56.01 57.12 3gfg n LEU 327 Cb 0.42 -1.55 0.47 0.00 -2.33 0.00 0.00 43.42 40.43 3gfg n LEU 327 CO 0.58 -0.48 1.08 1.55 -1.33 0.00 0.00 177.39 178.79 3gfg h PRO 328 N 2.00 0.33 -3.27 3.23 0.13 -1.89 -3.39 132.00 129.13 3gfg h PRO 328 Ca -0.50 -0.03 -0.35 0.00 -0.87 0.00 0.00 66.00 64.26 3gfg h PRO 328 Cb 1.29 -0.07 -0.38 0.00 0.13 0.00 0.00 31.00 31.97 3gfg h PRO 328 CO 0.59 0.27 -0.71 0.08 -0.23 0.00 0.00 178.00 178.00 3gfg s VAL 329 N -5.21 -0.14 0.60 1.56 1.01 -1.26 -5.11 120.40 111.84 3gfg s VAL 329 Ca -0.07 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 3gfg s VAL 329 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.33 3gfg s VAL 329 CO 0.72 0.17 0.99 0.42 0.00 0.00 0.00 175.10 177.40 3gfg s THR 330 N 2.11 4.73 0.26 3.92 -4.23 -1.26 -4.04 115.64 117.14 3gfg s THR 330 Ca 0.03 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 3gfg s THR 330 Cb -0.12 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.10 3gfg s THR 330 CO -0.04 -1.09 1.92 0.00 -0.54 0.00 0.00 174.62 174.87 3gfg h ALA 331 N -0.19 1.29 -0.48 3.99 0.00 -1.93 -2.57 119.26 119.36 3gfg h ALA 331 Ca -0.45 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.45 3gfg h ALA 331 Cb 1.19 -0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 3gfg h ALA 331 CO 0.62 0.62 -0.40 1.49 0.00 0.00 0.00 179.25 181.58 3gfg h GLU 332 N 1.22 -0.25 -0.05 0.00 4.57 -1.93 -0.06 114.58 118.08 3gfg h GLU 332 Ca 0.32 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 3gfg h GLU 332 Cb -0.07 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3gfg h GLU 332 CO -0.06 -0.17 -0.03 0.93 -1.18 0.00 0.00 179.01 178.50 3gfg h GLU 333 N -0.26 0.06 -0.00 1.92 5.08 -1.85 0.18 114.58 119.71 3gfg h GLU 333 Ca 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3gfg h GLU 333 Cb 0.57 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gfg h GLU 333 CO -0.62 0.10 -0.00 0.78 -1.00 0.00 0.00 179.01 178.27 3gfg h GLY 334 N 0.23 0.01 0.39 -3.84 0.00 -1.17 -2.50 103.07 96.19 3gfg h GLY 334 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.43 3gfg h GLY 334 CO 0.00 0.01 0.23 -2.22 0.00 0.00 0.00 176.54 174.56 3gfg h ILE 335 N -0.48 0.77 -0.73 2.60 2.04 -0.07 -1.68 117.51 119.97 3gfg h ILE 335 Ca 0.00 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3gfg h ILE 335 Cb 0.49 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3gfg h ILE 335 CO 0.00 0.08 0.48 0.78 0.00 0.00 0.00 178.15 179.49 3gfg h ASN 336 N 0.41 0.77 0.11 1.72 2.35 -0.99 0.30 115.58 120.26 3gfg h ASN 336 Ca 0.31 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3gfg h ASN 336 Cb 0.38 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3gfg h ASN 336 CO -0.30 0.54 -0.28 0.58 -1.65 0.00 0.00 177.43 176.31 3gfg h VAL 337 N 0.90 0.39 -0.72 2.81 2.07 -0.85 -1.79 116.25 119.05 3gfg h VAL 337 Ca 0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 3gfg h VAL 337 Cb 0.03 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3gfg h VAL 337 CO -0.08 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.32 3gfg h ILE 338 N -0.49 1.21 -0.48 4.57 1.08 -0.76 -1.79 117.51 120.85 3gfg h ILE 338 Ca 0.03 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 3gfg h ILE 338 Cb 0.52 0.23 -0.08 0.00 -3.07 0.00 0.00 36.82 34.41 3gfg h ILE 338 CO -0.17 0.23 -0.02 0.03 -0.69 0.00 0.00 178.15 177.54 3gfg h ARG 339 N 1.01 0.09 -0.41 2.37 3.08 -0.22 -1.17 114.38 119.13 3gfg h ARG 339 Ca 0.26 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 3gfg h ARG 339 Cb 0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3gfg h ARG 339 CO -0.04 0.06 0.23 0.82 -1.07 0.00 0.00 179.97 179.97 3gfg h ILE 340 N 0.09 1.02 -0.44 2.04 1.08 -0.50 -1.08 117.51 119.72 3gfg h ILE 340 Ca 0.24 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 3gfg h ILE 340 Cb 0.36 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 3gfg h ILE 340 CO -0.42 0.08 0.24 0.40 -0.69 0.00 0.00 178.15 177.77 3gfg h ILE 341 N 0.47 1.01 -0.40 -0.67 2.04 -0.94 0.13 117.51 119.14 3gfg h ILE 341 Ca 0.17 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 3gfg h ILE 341 Cb 0.03 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3gfg h ILE 341 CO -0.09 0.09 -0.24 -0.33 0.00 0.00 0.00 178.15 177.57 3gfg h GLU 342 N 0.48 0.82 -0.44 2.37 5.08 -1.13 0.56 114.58 122.32 3gfg h GLU 342 Ca 0.18 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3gfg h GLU 342 Cb 0.06 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3gfg h GLU 342 CO -0.11 0.98 0.20 0.00 -1.00 0.00 0.00 179.01 179.08 3gfg h ALA 343 N 1.01 0.55 0.03 3.43 0.00 -0.81 -0.49 119.26 122.98 3gfg h ALA 343 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gfg h ALA 343 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gfg h ALA 343 CO 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.12 3gfg h ALA 344 N 1.26 -0.04 -0.55 0.00 0.00 -0.25 0.13 119.26 119.80 3gfg h ALA 344 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gfg h ALA 344 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gfg h ALA 344 CO -0.16 -0.52 0.33 0.52 0.00 0.00 0.00 179.25 179.42 3gfg h MET 345 N -0.05 0.65 -0.73 0.00 2.07 -0.69 0.61 114.93 116.80 3gfg h MET 345 Ca -0.00 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 3gfg h MET 345 Cb 0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.59 3gfg h MET 345 CO 0.01 0.43 0.31 1.49 1.07 0.00 0.00 176.91 180.22 3gfg h GLU 346 N 0.67 1.07 -0.58 1.72 4.81 -0.96 -1.18 114.58 120.13 3gfg h GLU 346 Ca 0.22 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3gfg h GLU 346 Cb 0.01 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3gfg h GLU 346 CO -0.09 0.86 0.19 1.03 -0.73 0.00 0.00 179.01 180.27 3gfg h SER 347 N 1.03 0.79 -0.17 1.04 0.87 0.09 0.33 113.55 117.53 3gfg h SER 347 Ca 0.25 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 3gfg h SER 347 Cb 0.17 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3gfg h SER 347 CO -0.02 0.74 -0.32 -1.28 -0.53 0.00 0.00 176.83 175.42 3gfg h SER 348 N 0.84 0.58 -0.22 6.23 0.87 -0.68 -1.13 113.55 120.03 3gfg h SER 348 Ca 0.19 -0.54 -0.13 0.00 -1.23 0.00 0.00 61.79 60.08 3gfg h SER 348 Cb 0.23 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3gfg h SER 348 CO -0.01 1.01 -0.36 0.50 -0.53 0.00 0.00 176.83 177.44 3gfg h LYS 349 N 0.16 0.63 0.00 2.24 3.64 -0.99 -3.10 116.57 119.16 3gfg h LYS 349 Ca 0.01 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3gfg h LYS 349 Cb 0.91 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3gfg h LYS 349 CO 0.07 1.00 -0.07 0.39 -2.27 0.00 0.00 179.45 178.57 3gfg n GLU 350 N -4.26 0.07 -3.56 1.90 -0.58 0.08 -4.94 120.64 109.35 3gfg n GLU 350 Ca -0.05 0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 3gfg n GLU 350 Cb 0.51 -1.57 0.07 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.69 -6.64 -3.96 3.49 4.76 -0.48 -5.00 118.16 108.64 3gfg n LYS 351 Ca 0.06 0.79 -0.09 0.00 -2.87 0.00 0.00 58.31 56.20 3gfg n LYS 351 Cb 0.36 -5.73 -0.05 0.00 -1.84 0.00 0.00 35.03 27.77 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 -5.83 1.49 0.12 1.97 1.70 -0.86 -5.05 118.95 112.48 3gfg s ARG 352 Ca 0.22 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 53.99 3gfg s ARG 352 Cb -0.10 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 3gfg s ARG 352 CO 0.75 -0.61 1.08 0.99 -1.08 0.00 0.00 175.30 176.43 3gfg s THR 353 N -3.99 4.14 -0.39 4.99 2.01 -1.26 -4.42 115.64 116.72 3gfg s THR 353 Ca 0.20 1.73 -0.15 0.00 0.31 0.00 0.00 61.69 63.77 3gfg s THR 353 Cb -0.00 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3gfg s THR 353 CO 0.06 0.24 0.33 -0.63 -0.69 0.00 0.00 174.62 173.94 3gfg s ILE 354 N 0.21 5.21 0.14 1.82 -1.09 -0.23 -4.96 121.20 122.30 3gfg s ILE 354 Ca 0.51 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 58.26 3gfg s ILE 354 Cb -0.27 -3.89 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 3gfg s ILE 354 CO 0.32 -0.23 1.28 -0.32 -1.23 0.00 0.00 174.94 174.75 3gfg s MET 355 N 1.86 4.40 0.99 2.79 1.75 -1.26 -1.16 119.30 128.67 3gfg s MET 355 Ca 0.08 1.95 -0.13 0.00 -1.25 0.00 0.00 55.69 56.34 3gfg s MET 355 Cb -0.18 -3.26 0.19 0.00 2.84 0.00 0.00 34.83 34.42 3gfg s MET 355 CO 0.11 -0.27 1.11 -0.51 -0.65 0.00 0.00 175.02 174.81 3gfg s LEU 356 N 0.51 1.62 0.00 4.11 1.43 -0.78 -4.97 118.68 120.60 3gfg s LEU 356 Ca 0.59 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 3gfg s LEU 356 Cb -0.34 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3gfg s LEU 356 CO 0.33 -3.07 0.34 1.21 0.23 0.00 0.00 176.35 175.40