#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfb s LYS 4 N 0.00 1.78 0.08 3.49 -0.14 -1.26 -1.87 119.74 121.82 3gfb s LYS 4 Ca 0.00 -1.41 -0.10 0.00 -1.36 0.00 0.00 55.97 53.10 3gfb s LYS 4 Cb 0.00 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.16 3gfb s LYS 4 CO 0.00 0.41 0.22 0.00 -0.76 0.00 0.00 175.35 175.23 3gfb s MET 5 N -2.77 0.85 0.30 1.68 0.23 0.15 -4.71 119.30 115.03 3gfb s MET 5 Ca 0.23 -0.87 -0.28 0.00 -1.03 0.00 0.00 55.69 53.74 3gfb s MET 5 Cb -0.08 0.35 -0.09 0.00 -1.53 0.00 0.00 34.83 33.48 3gfb s MET 5 CO 0.13 -0.28 1.08 -0.65 -2.03 0.00 0.00 175.02 173.27 3gfb s GLN 6 N -3.63 4.57 -0.11 3.16 -0.21 -1.26 0.11 119.66 122.28 3gfb s GLN 6 Ca 0.03 1.73 -0.07 0.00 0.02 0.00 0.00 55.36 57.07 3gfb s GLN 6 Cb 0.04 -3.08 0.04 0.00 1.00 0.00 0.00 33.01 31.01 3gfb s GLN 6 CO -0.10 0.17 0.28 0.00 -2.12 0.00 0.00 175.29 173.52 3gfb s ALA 7 N -1.25 -0.66 -0.32 6.09 0.00 -0.34 -2.18 121.76 123.10 3gfb s ALA 7 Ca 0.47 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 3gfb s ALA 7 Cb -0.30 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3gfb s ALA 7 CO 0.38 -0.19 0.96 0.42 0.00 0.00 0.00 175.76 177.33 3gfb s ILE 8 N 0.99 4.61 -0.07 0.00 1.01 0.34 -1.30 121.20 126.77 3gfb s ILE 8 Ca -0.07 1.48 0.04 0.00 0.00 0.00 0.00 60.65 62.11 3gfb s ILE 8 Cb -0.08 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3gfb s ILE 8 CO -0.07 -0.42 -0.20 -0.32 0.00 0.00 0.00 174.94 173.93 3gfb s MET 9 N 3.41 2.42 -0.46 2.79 1.75 0.59 -0.56 119.30 129.24 3gfb s MET 9 Ca 0.40 -0.73 -0.25 0.00 -1.25 0.00 0.00 55.69 53.86 3gfb s MET 9 Cb -0.13 -1.94 0.03 0.00 2.84 0.00 0.00 34.83 35.63 3gfb s MET 9 CO 0.15 0.20 0.89 0.21 -0.65 0.00 0.00 175.02 175.82 3gfb s LYS 10 N 0.25 3.49 -0.20 4.11 2.47 -0.18 -0.06 119.74 129.62 3gfb s LYS 10 Ca -0.12 0.08 -0.18 0.00 -1.56 0.00 0.00 55.97 54.19 3gfb s LYS 10 Cb -0.15 -3.93 -0.19 0.00 -1.46 0.00 0.00 37.83 32.09 3gfb s LYS 10 CO 0.06 -1.21 0.16 0.25 0.16 0.00 0.00 175.35 174.77 3gfb n THR 11 N 6.35 1.57 -4.46 3.43 -2.24 -1.26 0.08 114.28 117.75 3gfb n THR 11 Ca 0.05 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 3gfb n THR 11 Cb 0.48 -1.97 -0.10 0.00 -2.10 0.00 0.00 70.33 66.64 3gfb n THR 11 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gfb s LYS 12 N -2.41 1.62 0.33 -0.78 1.02 -1.26 -4.18 119.74 114.08 3gfb s LYS 12 Ca -0.29 -1.82 0.07 0.00 0.02 0.00 0.00 55.97 53.95 3gfb s LYS 12 Cb 0.07 -1.37 0.92 0.00 -0.52 0.00 0.00 37.83 36.93 3gfb s LYS 12 CO 0.61 0.10 1.57 -1.35 -0.92 0.00 0.00 175.35 175.36 3gfb h PRO 13 N 2.22 0.01 -4.98 -1.68 0.11 -1.95 -3.46 132.00 122.27 3gfb h PRO 13 Ca -0.40 -0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.28 3gfb h PRO 13 Cb 1.24 -0.00 0.21 0.00 0.11 0.00 0.00 31.00 32.56 3gfb h PRO 13 CO 0.67 0.01 -2.00 0.00 -0.21 0.00 0.00 178.00 176.47 3gfb n ALA 14 N -2.91 -4.91 -0.89 -0.75 0.00 -1.26 -4.86 120.51 104.93 3gfb n ALA 14 Ca 0.27 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.44 3gfb n ALA 14 Cb 0.90 -0.77 0.11 0.00 0.00 0.00 0.00 19.45 19.69 3gfb n ALA 14 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3gfb n TYR 15 N -2.58 -1.49 -4.17 0.00 9.36 -1.26 -4.72 117.16 112.30 3gfb n TYR 15 Ca -0.02 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.45 3gfb n TYR 15 Cb 0.57 -1.79 0.00 0.00 -0.63 0.00 0.00 39.34 37.48 3gfb n TYR 15 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gfb n GLY 16 N 1.61 -1.43 3.77 2.98 0.00 -0.31 -5.01 105.19 106.79 3gfb n GLY 16 Ca 0.07 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 3gfb n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb s ALA 17 N -1.17 -0.87 -0.06 4.61 0.00 -1.26 -4.78 121.76 118.24 3gfb s ALA 17 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3gfb s ALA 17 Cb 0.00 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3gfb s ALA 17 CO 0.00 -0.98 -0.17 -1.21 0.00 0.00 0.00 175.76 173.40 3gfb s GLU 18 N -3.82 2.01 -0.59 0.00 2.02 0.92 -4.93 118.70 114.30 3gfb s GLU 18 Ca 0.15 -0.61 -0.26 0.00 0.02 0.00 0.00 54.97 54.27 3gfb s GLU 18 Cb -0.04 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 3gfb s GLU 18 CO 0.08 0.17 2.05 -1.17 0.02 0.00 0.00 175.26 176.41 3gfb s LEU 19 N 0.27 3.31 0.02 1.80 2.96 -1.26 -0.30 118.68 125.49 3gfb s LEU 19 Ca -0.10 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 3gfb s LEU 19 Cb -0.14 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3gfb s LEU 19 CO 0.04 -2.58 -0.21 -0.69 -1.32 0.00 0.00 176.35 171.58 3gfb s VAL 20 N 10.23 2.51 -0.13 1.68 1.01 -0.42 -4.91 120.40 130.36 3gfb s VAL 20 Ca 0.77 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 3gfb s VAL 20 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3gfb s VAL 20 CO 0.21 0.41 0.67 -0.70 0.00 0.00 0.00 175.10 175.68 3gfb s GLU 21 N -1.19 4.34 0.16 2.72 2.12 -1.26 -1.20 118.70 124.39 3gfb s GLU 21 Ca 0.13 0.76 -0.00 0.00 0.36 0.00 0.00 54.97 56.22 3gfb s GLU 21 Cb -0.10 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 3gfb s GLU 21 CO 0.03 -0.07 0.05 0.14 -0.54 0.00 0.00 175.26 174.87 3gfb s VAL 22 N 1.29 0.29 0.24 3.70 -7.23 0.30 -4.93 120.40 114.06 3gfb s VAL 22 Ca 0.33 -1.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 3gfb s VAL 22 Cb -0.17 -2.17 -0.11 0.00 0.56 0.00 0.00 36.38 34.50 3gfb s VAL 22 CO 0.14 -0.38 1.55 -1.81 -0.31 0.00 0.00 175.10 174.29 3gfb s ASP 23 N -3.12 6.52 0.12 4.85 -0.00 -1.26 0.31 116.67 124.09 3gfb s ASP 23 Ca 0.27 2.76 -0.33 0.00 -0.00 0.00 0.00 52.55 55.25 3gfb s ASP 23 Cb 0.07 -2.62 -0.13 0.00 -0.00 0.00 0.00 42.92 40.24 3gfb s ASP 23 CO 0.05 -0.83 1.67 0.52 -0.00 0.00 0.00 175.17 176.58 3gfb n VAL 24 N 2.88 0.14 -2.09 -1.27 0.31 -0.78 -4.79 118.33 112.72 3gfb n VAL 24 Ca 0.10 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 3gfb n VAL 24 Cb 0.38 -1.71 0.02 0.00 -0.91 0.00 0.00 33.84 31.62 3gfb n VAL 24 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3gfb s PRO 25 N 1.66 3.16 -0.18 5.55 0.04 -1.26 -5.01 135.00 138.96 3gfb s PRO 25 Ca 0.81 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 3gfb s PRO 25 Cb -0.64 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 3gfb s PRO 25 CO 0.39 -0.99 0.19 0.15 0.04 0.00 0.00 177.00 176.79 3gfb s LYS 26 N -3.56 4.21 0.10 4.56 3.01 -1.26 -4.96 119.74 121.83 3gfb s LYS 26 Ca 0.71 -0.10 -0.30 0.00 -1.01 0.00 0.00 55.97 55.26 3gfb s LYS 26 Cb -0.23 -3.42 -0.06 0.00 -1.01 0.00 0.00 37.83 33.12 3gfb s LYS 26 CO 0.32 0.28 1.04 -1.25 0.51 0.00 0.00 175.35 176.25 3gfb s PRO 27 N 0.39 4.60 0.00 -1.68 0.04 -1.26 -5.04 135.00 132.05 3gfb s PRO 27 Ca 0.11 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3gfb s PRO 27 Cb -0.12 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3gfb s PRO 27 CO 0.00 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3gfb n GLY 28 N 2.50 1.05 3.77 0.56 0.00 -1.26 -4.48 105.19 107.34 3gfb n GLY 28 Ca 0.04 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 3gfb n GLY 28 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gfb s PRO 29 N -0.79 4.15 -1.08 1.61 0.02 -1.26 -1.73 135.00 135.93 3gfb s PRO 29 Ca 0.00 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3gfb s PRO 29 Cb 0.00 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3gfb s PRO 29 CO 0.00 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3gfb n GLY 30 N 0.73 1.05 3.36 0.52 0.00 -1.07 -4.94 105.19 104.85 3gfb n GLY 30 Ca 0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3gfb n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfb s GLU 31 N -2.71 1.35 0.08 1.61 2.02 -0.70 -0.43 118.70 119.93 3gfb s GLU 31 Ca 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.63 3gfb s GLU 31 Cb 0.00 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.60 3gfb s GLU 31 CO 0.00 0.35 -0.13 0.14 0.02 0.00 0.00 175.26 175.64 3gfb s VAL 32 N -1.65 1.06 -0.16 2.63 -7.23 -0.47 0.52 120.40 115.10 3gfb s VAL 32 Ca 0.16 -1.40 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 3gfb s VAL 32 Cb -0.08 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 3gfb s VAL 32 CO 0.07 -0.32 0.15 -0.22 -0.31 0.00 0.00 175.10 174.47 3gfb s LEU 33 N -1.94 4.29 0.21 1.32 0.20 -0.50 -1.04 118.68 121.21 3gfb s LEU 33 Ca -0.00 0.36 0.10 0.00 0.69 0.00 0.00 54.13 55.28 3gfb s LEU 33 Cb -0.08 -2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 3gfb s LEU 33 CO 0.02 0.27 -0.20 0.27 -0.29 0.00 0.00 176.35 176.42 3gfb s ILE 34 N -0.23 2.16 -0.22 6.68 -4.36 -0.74 -1.10 121.20 123.38 3gfb s ILE 34 Ca 0.12 -2.11 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 3gfb s ILE 34 Cb -0.12 -2.07 -0.05 0.00 1.25 0.00 0.00 42.46 41.47 3gfb s ILE 34 CO 0.01 -0.30 0.23 -0.75 0.24 0.00 0.00 174.94 174.37 3gfb s LYS 35 N -3.02 4.12 -0.36 0.37 2.20 -0.14 -1.62 119.74 121.28 3gfb s LYS 35 Ca 0.22 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 3gfb s LYS 35 Cb -0.06 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3gfb s LYS 35 CO 0.10 0.06 1.16 0.08 -0.36 0.00 0.00 175.35 176.40 3gfb s VAL 36 N 1.03 4.31 -0.07 4.02 1.01 -0.20 -0.91 120.40 129.59 3gfb s VAL 36 Ca 0.11 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3gfb s VAL 36 Cb -0.14 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 3gfb s VAL 36 CO 0.05 -0.62 0.56 -0.07 0.00 0.00 0.00 175.10 175.01 3gfb h LEU 37 N 10.66 0.19 -7.16 3.92 3.38 -1.47 -3.39 115.31 121.44 3gfb h LEU 37 Ca -0.23 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 3gfb h LEU 37 Cb 1.07 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 3gfb h LEU 37 CO 1.06 1.37 -0.00 0.00 0.09 0.00 0.00 178.44 180.96 3gfb s ALA 38 N -2.58 -1.44 -0.23 1.53 0.00 -0.82 -4.33 121.76 113.89 3gfb s ALA 38 Ca -0.12 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 3gfb s ALA 38 Cb 0.07 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.74 3gfb s ALA 38 CO 0.80 -0.30 0.60 -0.08 0.00 0.00 0.00 175.76 176.78 3gfb s THR 39 N -0.39 -0.00 0.19 0.00 -1.32 -0.32 -1.40 115.64 112.40 3gfb s THR 39 Ca -0.05 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 3gfb s THR 39 Cb -0.03 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 3gfb s THR 39 CO 0.04 0.00 -0.17 -0.55 -2.21 0.00 0.00 174.62 171.74 3gfb s SER 40 N 0.58 2.68 -0.17 8.08 0.15 -0.46 -0.65 113.70 123.91 3gfb s SER 40 Ca -0.02 -0.94 -0.05 0.00 0.70 0.00 0.00 55.95 55.64 3gfb s SER 40 Cb -0.05 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3gfb s SER 40 CO -0.03 -0.09 -0.00 -0.63 1.20 0.00 0.00 173.24 173.69 3gfb s ILE 41 N -2.45 4.17 0.30 6.45 1.01 -1.09 -4.02 121.20 125.57 3gfb s ILE 41 Ca 0.19 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.67 3gfb s ILE 41 Cb -0.04 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3gfb s ILE 41 CO 0.07 0.48 0.10 0.00 0.00 0.00 0.00 174.94 175.59 3gfb n GLY 43 N -1.07 0.00 0.27 0.00 0.00 -1.26 -0.75 105.19 102.38 3gfb n GLY 43 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3gfb n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gfb h THR 44 N 0.00 1.03 -0.77 2.61 2.02 -1.99 -0.34 112.91 115.48 3gfb h THR 44 Ca 0.00 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3gfb h THR 44 Cb 0.00 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 3gfb h THR 44 CO 0.00 0.14 0.32 0.44 0.37 0.00 0.00 175.52 176.79 3gfb h ASP 45 N 0.77 1.03 -0.90 4.18 3.32 -1.35 -1.08 116.42 122.39 3gfb h ASP 45 Ca 0.29 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.24 3gfb h ASP 45 Cb 0.11 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 3gfb h ASP 45 CO -0.15 0.90 0.59 0.25 -1.72 0.00 0.00 179.24 179.12 3gfb h LEU 46 N 1.10 0.94 -0.69 1.55 5.85 0.31 0.26 115.31 124.63 3gfb h LEU 46 Ca 0.26 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 3gfb h LEU 46 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3gfb h LEU 46 CO -0.02 0.63 -0.54 0.45 -0.34 0.00 0.00 178.44 178.62 3gfb h HIS 47 N 1.09 0.41 -0.09 1.25 3.86 -0.69 0.75 115.15 121.72 3gfb h HIS 47 Ca 0.37 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 3gfb h HIS 47 Cb 0.10 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3gfb h HIS 47 CO -0.00 0.79 -0.24 0.82 0.86 0.00 0.00 177.93 180.16 3gfb h ILE 48 N 0.25 1.40 -0.23 2.45 2.04 -0.87 -1.33 117.51 121.23 3gfb h ILE 48 Ca 0.01 -1.57 0.06 0.00 1.00 0.00 0.00 64.86 64.36 3gfb h ILE 48 Cb 1.03 2.17 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 3gfb h ILE 48 CO 0.09 0.45 -0.33 0.22 0.00 0.00 0.00 178.15 178.58 3gfb h TYR 49 N -0.13 -0.90 0.00 1.37 3.20 -0.36 -1.96 116.97 118.19 3gfb h TYR 49 Ca -0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3gfb h TYR 49 Cb 0.85 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 3gfb h TYR 49 CO 0.11 -0.39 -0.01 0.93 -1.64 0.00 0.00 178.16 177.16 3gfb h GLU 50 N -0.35 0.00 -5.13 1.82 5.08 -0.84 -0.80 114.58 114.36 3gfb h GLU 50 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 3gfb h GLU 50 Cb 0.54 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.94 3gfb h GLU 50 CO -0.42 0.01 -0.67 1.87 -1.00 0.00 0.00 179.01 178.80 3gfb n TRP 51 N -3.15 -1.92 -1.03 4.33 -0.00 -0.55 -4.55 117.44 110.58 3gfb n TRP 51 Ca -0.01 0.80 -0.05 0.00 -0.00 0.00 0.00 57.50 58.23 3gfb n TRP 51 Cb 0.19 -4.53 0.04 0.00 -0.00 0.00 0.00 31.31 27.01 3gfb n TRP 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3gfb n ASN 52 N -2.85 -0.25 -0.03 5.87 6.94 -0.92 -4.77 115.26 119.24 3gfb n ASN 52 Ca -0.22 -0.97 -0.14 0.00 -0.02 0.00 0.00 54.58 53.23 3gfb n ASN 52 Cb 0.64 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.78 3gfb n ASN 52 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3gfb h GLU 53 N 0.00 0.09 -0.45 -3.83 3.07 -1.96 -2.32 114.58 109.18 3gfb h GLU 53 Ca -0.07 -0.07 0.09 0.00 -0.50 0.00 0.00 59.36 58.81 3gfb h GLU 53 Cb 0.20 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.03 3gfb h GLU 53 CO 0.05 0.74 -0.25 2.35 -1.40 0.00 0.00 179.01 180.50 3gfb h TRP 54 N -0.55 -0.66 -0.59 4.33 7.01 -1.95 -3.04 115.95 120.50 3gfb h TRP 54 Ca -0.01 0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.16 3gfb h TRP 54 Cb 0.76 0.36 -0.11 0.00 -2.10 0.00 0.00 29.16 28.06 3gfb h TRP 54 CO 0.16 -0.33 -0.22 0.00 -2.79 0.00 0.00 178.44 175.26 3gfb h ALA 55 N 1.06 0.24 0.00 2.65 0.00 -1.72 -2.78 119.26 118.71 3gfb h ALA 55 Ca 0.21 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 3gfb h ALA 55 Cb 0.49 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gfb h ALA 55 CO -0.54 -0.51 -0.18 1.96 0.00 0.00 0.00 179.25 179.97 3gfb h GLN 56 N -0.07 0.00 -0.01 0.00 4.20 -1.31 0.55 115.11 118.47 3gfb h GLN 56 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3gfb h GLN 56 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3gfb h GLN 56 CO -0.64 0.18 -0.15 -1.13 -0.67 0.00 0.00 178.83 176.42 3gfb n SER 57 N -4.31 1.34 0.00 1.46 3.41 -1.06 -4.53 113.62 109.93 3gfb n SER 57 Ca -0.02 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 3gfb n SER 57 Cb 0.24 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3gfb n SER 57 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gfb n ARG 58 N -0.20 0.00 -3.63 4.33 3.00 -0.46 -5.03 116.66 114.67 3gfb n ARG 58 Ca 0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.62 3gfb n ARG 58 Cb 0.37 -0.51 -0.11 0.00 0.00 0.00 0.00 32.46 32.20 3gfb n ARG 58 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3gfb s ILE 59 N -2.00 4.89 -0.55 5.15 -5.25 0.06 -4.88 121.20 118.63 3gfb s ILE 59 Ca 0.00 -0.13 -0.18 0.00 -0.99 0.00 0.00 60.65 59.35 3gfb s ILE 59 Cb 0.00 -3.40 0.10 0.00 2.95 0.00 0.00 42.46 42.11 3gfb s ILE 59 CO 0.00 0.18 0.61 -1.59 -1.79 0.00 0.00 174.94 172.35 3gfb s LYS 60 N 1.68 3.04 0.81 0.37 -2.85 -1.26 -4.81 119.74 116.73 3gfb s LYS 60 Ca 0.06 -1.32 -0.16 0.00 -1.00 0.00 0.00 55.97 53.55 3gfb s LYS 60 Cb -0.16 -4.23 -0.05 0.00 -2.06 0.00 0.00 37.83 31.33 3gfb s LYS 60 CO 0.08 -1.38 0.21 -2.30 0.10 0.00 0.00 175.35 172.06 3gfb n PRO 61 N 5.95 0.06 -3.32 1.78 -0.02 -1.26 -4.58 135.00 133.61 3gfb n PRO 61 Ca -0.10 0.05 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 3gfb n PRO 61 Cb 0.43 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 3gfb n PRO 61 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gfb s PRO 62 N -2.72 4.19 -0.00 0.52 0.05 -1.26 -5.00 135.00 130.78 3gfb s PRO 62 Ca 0.58 0.59 -0.03 0.00 0.05 0.00 0.00 61.00 62.19 3gfb s PRO 62 Cb -0.30 -3.31 -0.00 0.00 0.05 0.00 0.00 34.50 30.94 3gfb s PRO 62 CO 0.66 0.47 0.05 -1.14 0.05 0.00 0.00 177.00 177.09 3gfb s GLN 63 N -0.47 0.28 0.21 4.56 0.74 0.11 -4.96 119.66 120.12 3gfb s GLN 63 Ca 0.28 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 3gfb s GLN 63 Cb -0.17 0.11 -0.08 0.00 1.10 0.00 0.00 33.01 33.96 3gfb s GLN 63 CO 0.15 -0.05 1.02 0.42 -0.55 0.00 0.00 175.29 176.28 3gfb s ILE 64 N -0.91 3.97 0.68 -2.34 1.01 -1.26 -1.02 121.20 121.33 3gfb s ILE 64 Ca -0.10 1.82 -0.09 0.00 0.00 0.00 0.00 60.65 62.28 3gfb s ILE 64 Cb -0.06 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3gfb s ILE 64 CO 0.00 0.37 1.04 -0.04 0.00 0.00 0.00 174.94 176.31 3gfb s MET 65 N -0.78 2.67 0.00 2.79 -1.94 0.28 -0.37 119.30 121.95 3gfb s MET 65 Ca 0.45 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.61 3gfb s MET 65 Cb -0.28 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.46 3gfb s MET 65 CO 0.34 -1.04 0.00 0.41 -0.01 0.00 0.00 175.02 174.73 3gfb n GLY 66 N -2.91 2.32 0.00 -0.03 0.00 -1.26 0.00 105.19 103.32 3gfb n GLY 66 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3gfb n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gfb n HIS 67 N 1.26 0.00 -2.53 1.61 1.44 -1.26 -3.18 115.22 112.56 3gfb n HIS 67 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3gfb n HIS 67 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3gfb n HIS 67 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3gfb s GLU 68 N 0.00 3.33 0.19 -1.40 2.02 -1.26 -4.75 118.70 116.84 3gfb s GLU 68 Ca 0.00 0.07 0.11 0.00 0.02 0.00 0.00 54.97 55.17 3gfb s GLU 68 Cb 0.00 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 3gfb s GLU 68 CO 0.00 -1.94 -0.19 0.14 0.02 0.00 0.00 175.26 173.29 3gfb s VAL 69 N 5.52 2.62 -0.33 2.63 -7.23 -1.26 -1.35 120.40 120.99 3gfb s VAL 69 Ca 0.41 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3gfb s VAL 69 Cb -0.08 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.64 3gfb s VAL 69 CO 0.21 -0.11 0.08 0.00 -0.31 0.00 0.00 175.10 174.97 3gfb s ALA 70 N -1.67 2.98 0.09 1.32 0.00 -0.49 -3.93 121.76 120.06 3gfb s ALA 70 Ca 0.22 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.36 3gfb s ALA 70 Cb -0.08 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3gfb s ALA 70 CO 0.11 -1.37 -0.07 0.20 0.00 0.00 0.00 175.76 174.64 3gfb s GLY 71 N 1.42 0.71 -0.17 0.00 0.00 0.38 -1.19 107.32 108.47 3gfb s GLY 71 Ca -0.02 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 3gfb s GLY 71 CO 0.01 -1.32 0.02 1.85 0.00 0.00 0.00 173.10 173.67 3gfb s GLU 72 N -3.35 3.86 0.15 2.90 2.12 -0.09 -0.43 118.70 123.86 3gfb s GLU 72 Ca 0.07 -0.41 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 3gfb s GLU 72 Cb 0.02 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 3gfb s GLU 72 CO -0.04 0.26 1.51 0.08 -0.54 0.00 0.00 175.26 176.54 3gfb s VAL 73 N 0.36 2.84 -0.07 3.70 1.01 0.28 -0.97 120.40 127.55 3gfb s VAL 73 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.65 3gfb s VAL 73 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 3gfb s VAL 73 CO 0.01 0.05 0.04 1.33 0.00 0.00 0.00 175.10 176.53 3gfb n VAL 74 N 3.96 0.46 -3.80 2.92 0.24 -0.26 -0.63 118.33 121.23 3gfb n VAL 74 Ca 0.13 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 3gfb n VAL 74 Cb 0.40 -0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 32.01 3gfb n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3gfb s GLU 75 N -2.22 0.86 -0.00 7.34 2.12 -1.11 -4.80 118.70 120.89 3gfb s GLU 75 Ca -0.04 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3gfb s GLU 75 Cb 0.03 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 3gfb s GLU 75 CO 0.31 -0.29 -0.09 0.08 -0.54 0.00 0.00 175.26 174.73 3gfb s VAL 76 N -3.48 0.73 0.68 3.70 1.01 -1.26 -1.41 120.40 120.38 3gfb s VAL 76 Ca 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 3gfb s VAL 76 Cb 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3gfb s VAL 76 CO -0.09 0.17 0.99 -0.83 0.00 0.00 0.00 175.10 175.34 3gfb s GLY 77 N -0.31 1.69 0.12 4.51 0.00 0.18 -4.96 107.32 108.55 3gfb s GLY 77 Ca 0.03 -0.94 -0.34 0.00 0.00 0.00 0.00 44.72 43.47 3gfb s GLY 77 CO -0.00 -0.55 0.94 -1.05 0.00 0.00 0.00 173.10 172.44 3gfb n PRO 78 N -2.85 0.41 -3.93 2.90 -0.02 -1.26 -2.73 135.00 127.52 3gfb n PRO 78 Ca 0.08 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.43 3gfb n PRO 78 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3gfb n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gfb n GLY 79 N 1.82 -0.35 3.41 -1.23 0.00 -1.26 -2.60 105.19 104.99 3gfb n GLY 79 Ca 0.18 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 3gfb n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gfb s VAL 80 N -3.60 4.60 0.38 1.61 1.01 -1.11 -4.27 120.40 119.03 3gfb s VAL 80 Ca 0.31 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3gfb s VAL 80 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3gfb s VAL 80 CO 0.86 -0.08 0.38 -1.61 0.00 0.00 0.00 175.10 174.66 3gfb s GLU 81 N 1.59 2.69 0.00 2.72 0.41 -1.26 -4.68 118.70 120.17 3gfb s GLU 81 Ca 0.03 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 3gfb s GLU 81 Cb -0.18 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3gfb s GLU 81 CO 0.06 -0.08 0.00 -0.25 -0.49 0.00 0.00 175.26 174.50 3gfb n ASP 82 N -1.54 0.00 -4.63 -0.19 8.00 -1.26 -4.97 116.55 111.97 3gfb n ASP 82 Ca 0.02 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 3gfb n ASP 82 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 3gfb n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gfb s LEU 83 N 0.00 3.28 0.13 0.64 1.43 -1.26 -5.11 118.68 117.78 3gfb s LEU 83 Ca 0.00 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3gfb s LEU 83 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3gfb s LEU 83 CO 0.00 0.27 0.13 0.00 0.23 0.00 0.00 176.35 176.97 3gfb s GLN 84 N -1.59 0.94 0.36 1.70 -2.07 -1.26 -4.99 119.66 112.75 3gfb s GLN 84 Ca 0.19 -1.28 -0.26 0.00 -1.82 0.00 0.00 55.36 52.19 3gfb s GLN 84 Cb -0.11 0.29 -0.13 0.00 -1.09 0.00 0.00 33.01 31.97 3gfb s GLN 84 CO 0.10 -0.29 0.90 0.28 -1.32 0.00 0.00 175.29 174.95 3gfb n VAL 85 N -0.10 2.11 0.00 3.63 0.31 -1.26 -1.11 118.33 121.91 3gfb n VAL 85 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3gfb n VAL 85 Cb 0.63 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 3gfb n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gfb n GLY 86 N 1.35 3.22 3.72 2.92 0.00 0.20 -4.95 105.19 111.65 3gfb n GLY 86 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3gfb n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gfb s ASP 87 N -1.07 6.51 -0.31 1.61 1.01 -0.26 -4.66 116.67 119.49 3gfb s ASP 87 Ca 0.00 2.73 -0.19 0.00 0.71 0.00 0.00 52.55 55.80 3gfb s ASP 87 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3gfb s ASP 87 CO 0.00 -0.87 0.54 -0.47 0.21 0.00 0.00 175.17 174.58 3gfb s TYR 88 N 0.97 3.21 0.17 4.23 5.04 -1.26 0.10 117.35 129.81 3gfb s TYR 88 Ca 0.70 0.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.77 3gfb s TYR 88 Cb -0.46 -2.89 -0.05 0.00 0.35 0.00 0.00 41.96 38.92 3gfb s TYR 88 CO 0.34 -0.45 -0.06 0.96 -1.34 0.00 0.00 175.55 175.00 3gfb s ILE 89 N 2.43 1.03 0.24 3.14 -4.36 0.42 -0.13 121.20 123.98 3gfb s ILE 89 Ca 0.21 -2.03 0.10 0.00 -0.26 0.00 0.00 60.65 58.67 3gfb s ILE 89 Cb -0.15 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.49 3gfb s ILE 89 CO 0.12 -0.59 -0.19 -0.44 0.24 0.00 0.00 174.94 174.08 3gfb s SER 90 N -3.20 3.18 -0.11 4.36 0.01 -0.27 -0.47 113.70 117.20 3gfb s SER 90 Ca 0.21 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 3gfb s SER 90 Cb 0.04 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 3gfb s SER 90 CO 0.03 -0.02 -0.08 -0.69 0.41 0.00 0.00 173.24 172.89 3gfb s VAL 91 N -2.48 3.56 -0.33 3.43 1.01 -1.25 -0.82 120.40 123.52 3gfb s VAL 91 Ca 0.25 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 3gfb s VAL 91 Cb -0.04 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 3gfb s VAL 91 CO 0.11 0.55 0.70 -0.70 0.00 0.00 0.00 175.10 175.76 3gfb s GLU 92 N -0.18 3.84 0.24 2.72 2.56 0.55 -4.82 118.70 123.61 3gfb s GLU 92 Ca 0.02 0.32 0.17 0.00 0.00 0.00 0.00 54.97 55.47 3gfb s GLU 92 Cb -0.13 -3.76 0.04 0.00 2.00 0.00 0.00 34.13 32.28 3gfb s GLU 92 CO 0.03 -0.68 1.27 1.79 -0.56 0.00 0.00 175.26 177.10 3gfb h THR 93 N 5.62 0.58 -0.89 -1.70 1.35 -1.91 -3.42 112.91 112.55 3gfb h THR 93 Ca -0.26 -1.89 -0.42 0.00 -0.55 0.00 0.00 66.41 63.29 3gfb h THR 93 Cb 1.11 2.18 -0.07 0.00 -1.73 0.00 0.00 68.15 69.64 3gfb h THR 93 CO 0.85 0.33 1.05 -1.00 -0.25 0.00 0.00 175.52 176.50 3gfb s HIS 94 N -3.02 2.10 -0.51 4.73 3.76 -1.26 -3.69 115.29 117.40 3gfb s HIS 94 Ca 0.02 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.69 3gfb s HIS 94 Cb 0.08 -4.31 0.01 0.00 1.11 0.00 0.00 32.58 29.47 3gfb s HIS 94 CO 0.76 -1.83 1.43 0.42 -0.85 0.00 0.00 174.74 174.67 3gfb s ILE 95 N 8.01 3.81 -0.15 0.60 1.01 -1.24 -5.02 121.20 128.22 3gfb s ILE 95 Ca 0.60 0.74 -0.05 0.00 0.00 0.00 0.00 60.65 61.94 3gfb s ILE 95 Cb -0.04 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 3gfb s ILE 95 CO -0.04 -1.01 0.00 0.68 0.00 0.00 0.00 174.94 174.57 3gfb s VAL 96 N 5.96 4.27 0.00 2.92 -7.23 -1.26 -3.54 120.40 121.52 3gfb s VAL 96 Ca 0.56 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 3gfb s VAL 96 Cb -0.12 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3gfb s VAL 96 CO 0.28 0.50 0.00 0.00 -0.31 0.00 0.00 175.10 175.56 3gfb n GLY 98 N 0.00 1.93 2.57 0.00 0.00 -1.26 -4.33 105.19 104.11 3gfb n GLY 98 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 3gfb n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gfb n LYS 99 N 0.00 2.19 -2.01 1.61 5.02 -1.26 -4.20 118.16 119.51 3gfb n LYS 99 Ca 0.00 -3.89 -0.28 0.00 -2.02 0.00 0.00 58.31 52.11 3gfb n LYS 99 Cb 0.00 -1.77 0.07 0.00 -0.02 0.00 0.00 35.03 33.32 3gfb n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gfb h TYR 101 N -0.81 -1.64 -0.52 0.00 3.20 -1.98 0.29 116.97 115.50 3gfb h TYR 101 Ca -0.45 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.52 3gfb h TYR 101 Cb 1.31 0.75 -0.04 0.00 1.54 0.00 0.00 36.73 40.29 3gfb h TYR 101 CO 0.36 -0.52 0.28 0.00 -1.64 0.00 0.00 178.16 176.64 3gfb h ALA 102 N -0.21 0.67 -0.14 1.82 0.00 -1.91 -2.46 119.26 117.03 3gfb h ALA 102 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gfb h ALA 102 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gfb h ALA 102 CO -0.50 -0.04 0.09 0.00 0.00 0.00 0.00 179.25 178.80 3gfb h LYS 104 N 0.17 0.00 -0.61 0.00 1.57 -0.39 -1.06 116.57 116.25 3gfb h LYS 104 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gfb h LYS 104 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3gfb h LYS 104 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 3gfb n HIS 105 N -3.89 1.10 -3.98 -1.35 8.25 -0.93 -4.94 115.22 109.47 3gfb n HIS 105 Ca -0.00 -0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.73 3gfb n HIS 105 Cb 0.22 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 3gfb n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gfb n ASN 106 N 0.79 -2.28 -3.14 0.41 3.02 -0.40 -4.94 115.26 108.71 3gfb n ASN 106 Ca 0.19 -0.93 -0.32 0.00 -0.03 0.00 0.00 54.58 53.49 3gfb n ASN 106 Cb 0.68 -3.31 -0.01 0.00 -0.61 0.00 0.00 39.78 36.53 3gfb n ASN 106 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3gfb n ARG 107 N -4.45 3.96 0.00 3.52 1.74 0.62 -4.93 116.66 117.13 3gfb n ARG 107 Ca -0.12 -4.73 0.06 0.00 -0.77 0.00 0.00 57.85 52.29 3gfb n ARG 107 Cb 0.60 -2.32 0.30 0.00 -1.02 0.00 0.00 32.46 30.02 3gfb n ARG 107 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gfb n TYR 108 N -0.22 0.00 -0.09 -1.55 4.01 -1.26 -2.89 117.16 115.16 3gfb n TYR 108 Ca 0.38 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.97 3gfb n TYR 108 Cb 0.36 -0.25 -0.14 0.00 -0.31 0.00 0.00 39.34 39.00 3gfb n TYR 108 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 3gfb n HIS 109 N -1.25 0.28 -1.39 -0.72 1.44 -1.24 -4.36 115.22 107.98 3gfb n HIS 109 Ca 0.06 0.07 -0.24 0.00 -2.01 0.00 0.00 57.72 55.60 3gfb n HIS 109 Cb 0.09 -1.04 0.13 0.00 0.12 0.00 0.00 29.99 29.29 3gfb n HIS 109 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3gfb n VAL 110 N -3.10 3.17 -4.34 0.61 0.24 -1.14 -4.11 118.33 109.67 3gfb n VAL 110 Ca -0.37 -2.68 -0.28 0.00 -2.04 0.00 0.00 64.34 58.98 3gfb n VAL 110 Cb 1.06 -0.76 -0.11 0.00 -1.47 0.00 0.00 33.84 32.57 3gfb n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gfb s GLN 112 N -2.58 0.60 7.07 0.00 1.11 -1.26 -4.85 119.66 119.74 3gfb s GLN 112 Ca 0.21 0.16 0.00 0.00 0.01 0.00 0.00 55.36 55.74 3gfb s GLN 112 Cb -0.09 -1.79 0.00 0.00 -1.01 0.00 0.00 33.01 30.12 3gfb s GLN 112 CO 0.12 -2.54 0.00 0.09 0.01 0.00 0.00 175.29 172.97 3gfb n ASN 113 N -3.98 0.00 0.00 5.90 3.02 -1.26 -2.79 115.26 116.16 3gfb n ASN 113 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3gfb n ASN 113 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3gfb n ASN 113 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gfb n THR 114 N 0.00 0.00 -4.08 3.41 -2.24 -1.23 -4.80 114.28 105.34 3gfb n THR 114 Ca 0.00 0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3gfb n THR 114 Cb 0.00 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 3gfb n THR 114 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gfb s LYS 115 N -1.25 0.61 -0.12 -0.78 1.02 -1.26 -5.11 119.74 112.85 3gfb s LYS 115 Ca 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 3gfb s LYS 115 Cb 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 3gfb s LYS 115 CO 0.00 -0.11 -0.03 0.42 -0.92 0.00 0.00 175.35 174.71 3gfb s ILE 116 N -3.84 4.01 -0.12 2.17 -1.09 -1.26 -3.59 121.20 117.47 3gfb s ILE 116 Ca 0.06 -0.34 -0.27 0.00 -2.23 0.00 0.00 60.65 57.87 3gfb s ILE 116 Cb 0.07 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3gfb s ILE 116 CO -0.10 0.55 0.89 0.12 -1.23 0.00 0.00 174.94 175.17 3gfb s PHE 117 N -0.24 3.49 0.00 3.97 5.36 -1.24 -1.22 117.98 128.09 3gfb s PHE 117 Ca 0.05 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3gfb s PHE 117 Cb -0.13 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 3gfb s PHE 117 CO 0.02 -0.18 0.00 0.41 -1.46 0.00 0.00 175.22 174.01 3gfb n GLY 118 N 3.24 1.79 0.76 13.12 0.00 -1.13 -4.80 105.19 118.17 3gfb n GLY 118 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3gfb n GLY 118 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gfb n VAL 119 N -2.00 1.30 0.64 1.61 0.31 -1.21 -4.29 118.33 114.68 3gfb n VAL 119 Ca 0.00 0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.78 3gfb n VAL 119 Cb 0.00 -1.81 0.22 0.00 -0.91 0.00 0.00 33.84 31.35 3gfb n VAL 119 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gfb n ASP 120 N -3.77 0.67 -2.99 4.52 8.00 -0.36 -4.64 116.55 117.97 3gfb n ASP 120 Ca -0.04 0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 3gfb n ASP 120 Cb 0.15 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 3gfb n ASP 120 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3gfb n MET 121 N -2.04 0.41 -1.85 -1.24 0.00 -1.23 -4.99 117.12 106.18 3gfb n MET 121 Ca 0.04 -2.95 -0.40 0.00 0.00 0.00 0.00 57.70 54.39 3gfb n MET 121 Cb 0.42 2.48 0.01 0.00 0.00 0.00 0.00 33.22 36.13 3gfb n MET 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3gfb s ASP 122 N -3.09 6.00 0.00 3.17 1.01 -1.26 -2.85 116.67 119.64 3gfb s ASP 122 Ca 0.35 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.48 3gfb s ASP 122 Cb 0.01 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.29 3gfb s ASP 122 CO 0.25 -1.09 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3gfb n GLY 123 N 0.59 1.78 0.08 0.21 0.00 0.50 -3.84 105.19 104.50 3gfb n GLY 123 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3gfb n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gfb n VAL 124 N 0.00 0.00 -2.72 1.61 0.24 0.10 -4.75 118.33 112.81 3gfb n VAL 124 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3gfb n VAL 124 Cb 0.00 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 3gfb n VAL 124 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3gfb n PHE 125 N 0.00 4.30 -3.49 6.34 3.72 -0.10 -4.82 117.46 123.41 3gfb n PHE 125 Ca 0.00 -3.15 -0.11 0.00 -0.05 0.00 0.00 57.45 54.14 3gfb n PHE 125 Cb 0.53 -2.15 -0.02 0.00 -0.94 0.00 0.00 39.48 36.90 3gfb n PHE 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gfb s ALA 126 N 1.36 -1.59 0.43 4.37 0.00 -1.26 0.13 121.76 125.20 3gfb s ALA 126 Ca 0.43 0.46 0.14 0.00 0.00 0.00 0.00 51.96 52.99 3gfb s ALA 126 Cb 0.02 0.81 0.96 0.00 0.00 0.00 0.00 23.12 24.91 3gfb s ALA 126 CO 0.01 -0.80 1.96 0.45 0.00 0.00 0.00 175.76 177.38 3gfb h HIS 127 N 2.00 0.00 -3.91 0.00 3.86 -1.76 -3.41 115.15 111.93 3gfb h HIS 127 Ca -0.30 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.61 3gfb h HIS 127 Cb 1.29 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.56 3gfb h HIS 127 CO 0.26 0.22 -0.74 0.71 0.86 0.00 0.00 177.93 179.24 3gfb s TYR 128 N -4.55 0.83 -0.12 2.45 2.02 -1.26 -1.04 117.35 115.68 3gfb s TYR 128 Ca -0.04 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 3gfb s TYR 128 Cb 0.15 -0.48 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 3gfb s TYR 128 CO 0.70 -0.06 0.33 0.00 -1.57 0.00 0.00 175.55 174.95 3gfb s ALA 129 N -1.79 -0.82 0.20 3.71 0.00 -0.64 -4.88 121.76 117.55 3gfb s ALA 129 Ca -0.04 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3gfb s ALA 129 Cb -0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 3gfb s ALA 129 CO -0.00 -0.16 1.10 0.42 0.00 0.00 0.00 175.76 177.12 3gfb s ILE 130 N 0.26 3.77 -0.04 0.00 -1.09 -1.26 -1.80 121.20 121.03 3gfb s ILE 130 Ca -0.01 1.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.98 3gfb s ILE 130 Cb -0.03 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3gfb s ILE 130 CO -0.00 0.29 0.04 -0.69 -1.23 0.00 0.00 174.94 173.35 3gfb s VAL 131 N -0.43 0.02 0.13 2.92 1.01 -0.21 -4.97 120.40 118.87 3gfb s VAL 131 Ca 0.48 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 3gfb s VAL 131 Cb -0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 3gfb s VAL 131 CO 0.36 0.18 1.39 -2.16 0.00 0.00 0.00 175.10 174.88 3gfb s PRO 132 N 1.90 4.32 0.53 2.72 0.04 -1.26 -1.37 135.00 141.88 3gfb s PRO 132 Ca 0.02 2.10 0.18 0.00 0.04 0.00 0.00 61.00 63.34 3gfb s PRO 132 Cb -0.12 -3.23 1.34 0.00 0.04 0.00 0.00 34.50 32.53 3gfb s PRO 132 CO -0.03 -0.43 2.16 0.00 0.04 0.00 0.00 177.00 178.74 3gfb h ALA 133 N 6.57 1.95 0.00 8.56 0.00 -1.06 -1.13 119.26 134.15 3gfb h ALA 133 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gfb h ALA 133 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gfb h ALA 133 CO 0.85 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 180.45 3gfb n LYS 134 N -4.45 0.07 -0.13 0.00 2.85 -1.26 -2.52 118.16 112.72 3gfb n LYS 134 Ca -0.03 0.18 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 3gfb n LYS 134 Cb 0.10 -1.60 0.30 0.00 -0.65 0.00 0.00 35.03 33.17 3gfb n LYS 134 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gfb n ASN 135 N -1.73 2.43 -4.77 -5.58 3.02 -0.43 -4.98 115.26 103.23 3gfb n ASN 135 Ca 0.05 -1.84 -0.38 0.00 -0.03 0.00 0.00 54.58 52.37 3gfb n ASN 135 Cb 0.28 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 3gfb n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfb s ALA 136 N -1.67 3.53 -0.21 5.41 0.00 -1.05 -0.33 121.76 127.44 3gfb s ALA 136 Ca 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 3gfb s ALA 136 Cb 0.19 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 3gfb s ALA 136 CO 0.28 0.19 -0.08 -0.46 0.00 0.00 0.00 175.76 175.68 3gfb s TRP 137 N -0.16 2.91 0.01 0.00 -0.11 0.00 -4.95 118.94 116.65 3gfb s TRP 137 Ca 0.28 -1.11 -0.30 0.00 1.22 0.00 0.00 56.10 56.19 3gfb s TRP 137 Cb -0.17 -2.05 -0.06 0.00 -1.50 0.00 0.00 33.47 29.68 3gfb s TRP 137 CO 0.15 -0.61 1.48 0.15 -4.62 0.00 0.00 176.95 173.49 3gfb s LYS 138 N 1.41 4.25 0.34 5.86 1.02 -1.26 -1.12 119.74 130.24 3gfb s LYS 138 Ca 0.05 2.07 0.00 0.00 0.02 0.00 0.00 55.97 58.11 3gfb s LYS 138 Cb -0.14 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3gfb s LYS 138 CO -0.06 -0.63 0.54 -0.80 -0.92 0.00 0.00 175.35 173.48 3gfb s ASN 139 N 2.08 6.30 0.76 2.83 0.02 0.82 -4.95 114.94 122.79 3gfb s ASN 139 Ca 0.67 0.44 -0.13 0.00 -1.02 0.00 0.00 52.86 52.82 3gfb s ASN 139 Cb -0.33 -2.03 0.06 0.00 0.02 0.00 0.00 41.25 38.96 3gfb s ASN 139 CO 0.28 -0.28 1.16 -2.84 0.02 0.00 0.00 177.10 175.44 3gfb s PRO 140 N -4.26 2.05 0.36 -0.60 0.02 -1.26 -4.74 135.00 126.57 3gfb s PRO 140 Ca 0.40 1.57 0.21 0.00 0.02 0.00 0.00 61.00 63.20 3gfb s PRO 140 Cb -0.10 -1.84 0.22 0.00 0.02 0.00 0.00 34.50 32.81 3gfb s PRO 140 CO 0.35 -1.86 1.47 0.87 -0.33 0.00 0.00 177.00 177.51 3gfb h LYS 141 N -0.66 0.00 -0.59 5.54 6.56 -1.98 -3.06 116.57 122.38 3gfb h LYS 141 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 3gfb h LYS 141 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 3gfb h LYS 141 CO 0.49 0.11 0.00 -0.40 -2.06 0.00 0.00 179.45 177.59 3gfb n ASP 142 N -3.06 2.51 -4.61 0.86 5.75 -1.26 -4.88 116.55 111.86 3gfb n ASP 142 Ca 0.03 -2.22 -0.41 0.00 -0.01 0.00 0.00 54.79 52.17 3gfb n ASP 142 Cb 0.58 -0.42 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 3gfb n ASP 142 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3gfb s MET 143 N -1.68 3.99 0.04 0.11 1.75 -1.16 -4.99 119.30 117.35 3gfb s MET 143 Ca 0.24 0.39 -0.38 0.00 -1.25 0.00 0.00 55.69 54.68 3gfb s MET 143 Cb 0.15 -3.69 -0.18 0.00 2.84 0.00 0.00 34.83 33.95 3gfb s MET 143 CO 0.11 -0.49 1.20 -2.30 -0.65 0.00 0.00 175.02 172.88 3gfb n PRO 144 N 5.79 0.53 0.15 4.11 -0.02 -1.26 -4.73 135.00 139.57 3gfb n PRO 144 Ca -0.01 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 3gfb n PRO 144 Cb 0.49 -1.76 0.55 0.00 -0.02 0.00 0.00 33.50 32.76 3gfb n PRO 144 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gfb n PRO 145 N 1.98 0.15 0.03 0.52 -0.02 -1.26 -1.65 135.00 134.75 3gfb n PRO 145 Ca 0.19 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 62.03 3gfb n PRO 145 Cb 0.13 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 3gfb n PRO 145 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gfb h GLU 146 N 0.00 0.31 0.19 -0.52 9.09 -1.93 -2.78 114.58 118.94 3gfb h GLU 146 Ca 0.00 -0.53 0.01 0.00 0.05 0.00 0.00 59.36 58.89 3gfb h GLU 146 Cb 0.08 0.20 -0.04 0.00 -1.65 0.00 0.00 28.75 27.34 3gfb h GLU 146 CO 0.00 1.25 -0.40 1.88 0.05 0.00 0.00 179.01 181.79 3gfb h TYR 147 N -0.07 -1.12 -1.30 2.06 0.05 -1.91 -3.17 116.97 111.51 3gfb h TYR 147 Ca -0.35 0.02 0.38 0.00 0.05 0.00 0.00 58.73 58.83 3gfb h TYR 147 Cb 1.95 0.47 -0.08 0.00 1.01 0.00 0.00 36.73 40.08 3gfb h TYR 147 CO 0.10 -0.52 0.90 0.00 -1.05 0.00 0.00 178.16 177.59 3gfb h ALA 148 N -0.22 2.95 0.05 3.88 0.00 -1.37 -2.23 119.26 122.32 3gfb h ALA 148 Ca 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 3gfb h ALA 148 Cb 0.68 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gfb h ALA 148 CO -0.19 -1.40 -1.03 0.00 0.00 0.00 0.00 179.25 176.63 3gfb h ALA 149 N 1.44 0.32 0.00 0.00 0.00 -1.46 -3.02 119.26 116.53 3gfb h ALA 149 Ca 0.68 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gfb h ALA 149 Cb 2.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3gfb h ALA 149 CO -0.16 0.94 0.00 1.28 0.00 0.00 0.00 179.25 181.31 3gfb n LEU 150 N -3.61 0.00 0.09 0.00 4.77 -0.84 -4.34 117.00 113.07 3gfb n LEU 150 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 3gfb n LEU 150 Cb 0.90 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3gfb n LEU 150 CO 0.51 0.00 0.24 1.56 -1.33 0.00 0.00 177.39 178.37 3gfb h GLN 151 N 0.00 0.08 0.52 3.23 4.20 -1.62 0.10 115.11 121.62 3gfb h GLN 151 Ca 0.00 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3gfb h GLN 151 Cb 0.00 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.82 3gfb h GLN 151 CO 0.00 0.92 -0.25 0.93 -0.67 0.00 0.00 178.83 179.76 3gfb h GLU 152 N 0.04 -0.67 -0.02 1.46 5.08 -1.85 -1.32 114.58 117.30 3gfb h GLU 152 Ca -0.03 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3gfb h GLU 152 Cb 1.55 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3gfb h GLU 152 CO 0.13 -0.38 -0.49 -1.00 -1.00 0.00 0.00 179.01 176.27 3gfb h PRO 153 N -0.91 0.04 -0.14 2.33 0.13 -1.83 -0.72 132.00 130.90 3gfb h PRO 153 Ca -0.07 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.08 3gfb h PRO 153 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3gfb h PRO 153 CO 0.12 0.52 0.12 1.25 -0.23 0.00 0.00 178.00 179.78 3gfb h LEU 154 N 0.03 0.00 -0.51 1.56 5.85 -0.75 -0.14 115.31 121.34 3gfb h LEU 154 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3gfb h LEU 154 Cb 0.88 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3gfb h LEU 154 CO 0.07 0.00 -0.53 1.23 -0.34 0.00 0.00 178.44 178.86 3gfb h GLY 155 N 0.00 0.00 0.91 3.75 0.00 0.07 -0.26 103.07 107.54 3gfb h GLY 155 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3gfb h GLY 155 CO -0.00 0.00 -0.08 3.43 0.00 0.00 0.00 176.54 179.89 3gfb h ASN 156 N 0.00 -0.20 0.11 0.19 -0.26 -0.60 -1.00 115.58 113.83 3gfb h ASN 156 Ca -0.01 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 3gfb h ASN 156 Cb 1.19 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.51 3gfb h ASN 156 CO 0.07 -0.12 -0.17 0.00 -1.06 0.00 0.00 177.43 176.15 3gfb h ALA 157 N 0.73 1.57 -0.13 -0.83 0.00 -0.85 -2.72 119.26 117.03 3gfb h ALA 157 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3gfb h ALA 157 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gfb h ALA 157 CO -0.02 0.31 -0.28 0.28 0.00 0.00 0.00 179.25 179.55 3gfb h VAL 158 N 0.12 1.38 -0.04 0.00 2.07 -0.83 -0.75 116.25 118.19 3gfb h VAL 158 Ca 0.02 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.99 3gfb h VAL 158 Cb 0.38 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3gfb h VAL 158 CO 0.02 0.46 0.04 0.44 0.02 0.00 0.00 177.57 178.56 3gfb h ASP 159 N -0.00 0.00 0.00 0.57 5.19 -1.15 -2.35 116.42 118.67 3gfb h ASP 159 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3gfb h ASP 159 Cb 0.88 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 3gfb h ASP 159 CO 0.06 0.00 -0.40 0.74 -3.12 0.00 0.00 179.24 176.52 3gfb h THR 160 N 0.00 0.34 -0.38 0.35 2.02 -1.28 -3.05 112.91 110.91 3gfb h THR 160 Ca 0.02 -1.33 0.08 0.00 0.77 0.00 0.00 66.41 65.95 3gfb h THR 160 Cb 0.11 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3gfb h THR 160 CO -0.00 0.11 0.26 0.58 0.37 0.00 0.00 175.52 176.85 3gfb h VAL 161 N -1.00 0.90 0.00 3.16 2.07 -1.06 -3.04 116.25 117.27 3gfb h VAL 161 Ca -0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3gfb h VAL 161 Cb 0.51 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3gfb h VAL 161 CO -0.03 0.03 -0.36 0.18 0.02 0.00 0.00 177.57 177.41 3gfb n LEU 162 N -4.46 2.14 0.34 2.57 4.77 -0.89 -4.53 117.00 116.93 3gfb n LEU 162 Ca 0.05 -3.12 0.23 0.00 -0.03 0.00 0.00 56.01 53.14 3gfb n LEU 162 Cb 0.33 -0.39 1.20 0.00 -2.33 0.00 0.00 43.42 42.23 3gfb n LEU 162 CO 0.35 0.93 1.18 0.00 -1.33 0.00 0.00 177.39 178.52 3gfb h ALA 163 N 0.51 1.01 -2.53 -1.18 0.00 -1.41 -3.45 119.26 112.21 3gfb h ALA 163 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gfb h ALA 163 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gfb h ALA 163 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3gfb n GLY 164 N -1.03 3.05 3.76 0.00 0.00 -1.26 -5.11 105.19 104.60 3gfb n GLY 164 Ca -0.03 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 3gfb n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gfb s PRO 165 N -1.35 2.58 0.00 1.61 0.04 -1.26 -4.95 135.00 131.67 3gfb s PRO 165 Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3gfb s PRO 165 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3gfb s PRO 165 CO 0.00 -1.43 0.00 1.51 0.04 0.00 0.00 177.00 177.12 3gfb n ILE 166 N -2.60 0.00 -1.67 0.56 3.06 -1.26 -5.01 119.36 112.45 3gfb n ILE 166 Ca 0.11 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 59.91 3gfb n ILE 166 Cb 0.52 0.52 -0.04 0.00 0.54 0.00 0.00 39.64 41.18 3gfb n ILE 166 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3gfb n ALA 167 N 0.00 1.23 -0.74 1.51 0.00 -1.22 -0.71 120.51 120.58 3gfb n ALA 167 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3gfb n ALA 167 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 16.85 3gfb n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfb n GLY 168 N 4.51 0.60 3.60 0.00 0.00 0.52 -4.90 105.19 109.51 3gfb n GLY 168 Ca 0.22 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3gfb n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gfb s ARG 169 N -0.64 3.81 0.18 1.61 0.52 0.11 -4.69 118.95 119.86 3gfb s ARG 169 Ca 0.00 -0.40 -0.33 0.00 -0.52 0.00 0.00 55.73 54.48 3gfb s ARG 169 Cb 0.00 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 3gfb s ARG 169 CO 0.00 0.30 1.69 -1.13 0.02 0.00 0.00 175.30 176.18 3gfb n SER 170 N 3.42 3.72 -3.99 0.23 3.41 -1.08 -1.90 113.62 117.43 3gfb n SER 170 Ca -0.17 1.06 -0.20 0.00 -0.26 0.00 0.00 58.87 59.30 3gfb n SER 170 Cb 0.52 -1.52 -0.15 0.00 -0.26 0.00 0.00 64.21 62.80 3gfb n SER 170 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gfb s THR 171 N 1.26 0.73 -0.14 6.66 2.01 -0.63 -1.25 115.64 124.28 3gfb s THR 171 Ca 0.77 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.45 3gfb s THR 171 Cb -0.56 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3gfb s THR 171 CO 0.35 0.23 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.13 3gfb s LEU 172 N 0.24 2.51 -0.19 4.42 2.96 0.39 -0.11 118.68 128.90 3gfb s LEU 172 Ca -0.04 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3gfb s LEU 172 Cb -0.09 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3gfb s LEU 172 CO 0.00 0.12 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 3gfb s ILE 173 N 0.60 3.18 -0.25 6.68 1.01 0.22 -1.12 121.20 131.52 3gfb s ILE 173 Ca -0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 3gfb s ILE 173 Cb -0.16 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 3gfb s ILE 173 CO 0.03 0.46 0.15 0.42 0.00 0.00 0.00 174.94 176.00 3gfb s THR 174 N 1.14 5.12 0.00 2.92 -4.23 0.21 -0.36 115.64 120.43 3gfb s THR 174 Ca 0.01 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3gfb s THR 174 Cb -0.14 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3gfb s THR 174 CO -0.02 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 3gfb n GLY 175 N 4.65 1.44 2.08 3.99 0.00 -0.49 0.41 105.19 117.27 3gfb n GLY 175 Ca -0.15 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 3gfb n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb n ALA 176 N 2.99 5.12 -0.97 4.61 0.00 -1.26 -4.28 120.51 126.72 3gfb n ALA 176 Ca 0.00 -3.82 -0.11 0.00 0.00 0.00 0.00 53.44 49.51 3gfb n ALA 176 Cb 0.00 -0.44 0.15 0.00 0.00 0.00 0.00 19.45 19.16 3gfb n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfb n GLY 177 N -0.70 -2.82 0.20 0.00 0.00 -1.26 -4.43 105.19 96.18 3gfb n GLY 177 Ca 0.45 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 3gfb n GLY 177 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gfb h PRO 178 N 0.00 -0.04 -0.70 1.61 0.11 -1.89 0.27 132.00 131.35 3gfb h PRO 178 Ca -0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 3gfb h PRO 178 Cb 0.73 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3gfb h PRO 178 CO 0.15 -0.03 0.24 -0.07 -0.21 0.00 0.00 178.00 178.08 3gfb h LEU 179 N -0.05 0.99 -0.69 2.35 3.38 -1.94 -2.18 115.31 117.17 3gfb h LEU 179 Ca 0.21 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3gfb h LEU 179 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3gfb h LEU 179 CO -0.46 0.90 -0.15 1.23 0.09 0.00 0.00 178.44 180.06 3gfb h GLY 180 N 1.09 0.93 1.57 0.83 0.00 -1.55 0.69 103.07 106.63 3gfb h GLY 180 Ca 0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3gfb h GLY 180 CO -0.01 0.68 0.11 1.41 0.00 0.00 0.00 176.54 178.73 3gfb h LEU 181 N 0.76 0.50 -0.01 3.11 3.38 -0.19 -0.21 115.31 122.66 3gfb h LEU 181 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gfb h LEU 181 Cb 0.67 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gfb h LEU 181 CO 0.05 0.49 -0.21 -0.07 0.09 0.00 0.00 178.44 178.79 3gfb h LEU 182 N 0.54 0.19 -0.96 1.67 3.38 -1.09 -2.63 115.31 116.42 3gfb h LEU 182 Ca 0.13 -0.76 0.24 0.00 0.09 0.00 0.00 57.88 57.57 3gfb h LEU 182 Cb 0.18 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 40.70 3gfb h LEU 182 CO -0.01 0.93 -0.08 0.61 0.09 0.00 0.00 178.44 179.98 3gfb n GLY 183 N 1.01 -1.42 0.15 0.83 0.00 0.21 -0.26 105.19 105.71 3gfb n GLY 183 Ca -0.10 0.97 -0.00 0.00 0.00 0.00 0.00 46.02 46.89 3gfb n GLY 183 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gfb h ILE 184 N 0.00 1.39 0.21 -0.61 2.04 -0.87 -1.72 117.51 117.95 3gfb h ILE 184 Ca 0.53 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3gfb h ILE 184 Cb 1.00 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3gfb h ILE 184 CO -0.93 0.53 -0.10 0.00 0.00 0.00 0.00 178.15 177.65 3gfb h ALA 185 N 1.44 -0.29 -0.77 1.87 0.00 -0.57 -2.50 119.26 118.45 3gfb h ALA 185 Ca -0.00 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.86 3gfb h ALA 185 Cb 0.96 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3gfb h ALA 185 CO 0.07 -0.51 0.37 0.28 0.00 0.00 0.00 179.25 179.46 3gfb h VAL 186 N -0.59 0.77 -0.31 0.00 2.07 -0.58 -2.36 116.25 115.25 3gfb h VAL 186 Ca -0.03 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3gfb h VAL 186 Cb 0.43 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3gfb h VAL 186 CO 0.05 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.76 3gfb h ALA 187 N 1.50 0.41 -0.26 1.67 0.00 -1.22 -0.59 119.26 120.76 3gfb h ALA 187 Ca 0.40 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3gfb h ALA 187 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3gfb h ALA 187 CO -0.33 0.15 -0.32 0.87 0.00 0.00 0.00 179.25 179.62 3gfb h LYS 188 N 0.34 0.54 -0.15 0.00 1.79 -1.42 -0.53 116.57 117.14 3gfb h LYS 188 Ca 0.09 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.22 3gfb h LYS 188 Cb 0.41 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 3gfb h LYS 188 CO 0.01 0.79 -0.35 0.00 -1.08 0.00 0.00 179.45 178.83 3gfb h ALA 189 N 1.20 1.14 0.00 3.86 0.00 -1.05 -1.70 119.26 122.71 3gfb h ALA 189 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gfb h ALA 189 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gfb h ALA 189 CO 0.06 0.56 0.00 0.43 0.00 0.00 0.00 179.25 180.30 3gfb n SER 190 N -4.07 0.00 0.00 0.00 7.64 -0.26 -4.95 113.62 111.98 3gfb n SER 190 Ca -0.01 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3gfb n SER 190 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3gfb n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gfb n GLY 191 N 0.53 0.66 3.77 0.23 0.00 -0.64 -3.41 105.19 106.33 3gfb n GLY 191 Ca 0.13 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3gfb n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb s ALA 192 N -2.00 3.34 -0.29 4.61 0.00 -0.26 -0.36 121.76 126.80 3gfb s ALA 192 Ca 0.00 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 3gfb s ALA 192 Cb 0.00 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.79 3gfb s ALA 192 CO 0.00 -0.62 0.84 -0.47 0.00 0.00 0.00 175.76 175.50 3gfb s TYR 193 N -1.24 -0.84 0.40 0.00 5.04 -0.80 -4.51 117.35 115.40 3gfb s TYR 193 Ca 0.53 1.64 -0.25 0.00 -2.44 0.00 0.00 57.07 56.55 3gfb s TYR 193 Cb -0.36 0.50 -0.09 0.00 0.35 0.00 0.00 41.96 42.36 3gfb s TYR 193 CO 0.47 -0.42 1.11 -1.25 -1.34 0.00 0.00 175.55 174.13 3gfb s PRO 194 N 1.66 4.11 -0.19 4.97 0.04 -1.26 -2.64 135.00 141.69 3gfb s PRO 194 Ca -0.09 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 3gfb s PRO 194 Cb -0.05 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3gfb s PRO 194 CO -0.17 -0.23 0.61 0.08 0.04 0.00 0.00 177.00 177.33 3gfb s VAL 195 N -1.50 5.04 -0.16 -0.36 1.01 -1.26 -1.60 120.40 121.56 3gfb s VAL 195 Ca 0.57 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 3gfb s VAL 195 Cb -0.27 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 3gfb s VAL 195 CO 0.34 0.13 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 3gfb s ILE 196 N 1.78 3.47 -0.08 2.22 1.01 0.84 -0.64 121.20 129.79 3gfb s ILE 196 Ca 0.28 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3gfb s ILE 196 Cb -0.16 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3gfb s ILE 196 CO 0.11 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.66 3gfb s VAL 197 N 0.67 2.65 -0.27 2.92 1.01 0.98 0.70 120.40 129.06 3gfb s VAL 197 Ca -0.04 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3gfb s VAL 197 Cb -0.15 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3gfb s VAL 197 CO 0.02 0.56 -0.02 -0.55 0.00 0.00 0.00 175.10 175.11 3gfb s SER 198 N -0.15 4.60 -0.10 3.32 0.15 0.51 0.06 113.70 122.10 3gfb s SER 198 Ca -0.02 -0.95 -0.04 0.00 0.70 0.00 0.00 55.95 55.63 3gfb s SER 198 Cb -0.14 -1.71 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 3gfb s SER 198 CO 0.04 -0.17 0.21 -0.70 1.20 0.00 0.00 173.24 173.81 3gfb s GLU 199 N 1.33 0.14 0.00 5.44 2.56 -0.30 -1.40 118.70 126.47 3gfb s GLU 199 Ca -0.01 0.55 -0.25 0.00 0.00 0.00 0.00 54.97 55.26 3gfb s GLU 199 Cb -0.18 -0.14 -0.17 0.00 2.00 0.00 0.00 34.13 35.64 3gfb s GLU 199 CO -0.02 -0.21 1.24 -1.00 -0.56 0.00 0.00 175.26 174.70 3gfb h PRO 200 N 7.64 -0.26 -6.07 4.30 0.13 -1.94 -3.38 132.00 132.42 3gfb h PRO 200 Ca -0.31 0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 3gfb h PRO 200 Cb 1.14 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gfb h PRO 200 CO 0.30 0.09 1.28 0.45 -0.23 0.00 0.00 178.00 179.89 3gfb n SER 201 N -5.04 2.50 0.23 1.44 2.88 -1.26 -4.90 113.62 109.47 3gfb n SER 201 Ca -0.09 0.61 0.06 0.00 -1.33 0.00 0.00 58.87 58.12 3gfb n SER 201 Cb 0.24 -1.28 0.54 0.00 -0.75 0.00 0.00 64.21 62.96 3gfb n SER 201 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gfb h GLU 202 N 11.15 0.00 -0.06 -1.46 4.81 -1.99 -0.96 114.58 126.07 3gfb h GLU 202 Ca -0.35 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 3gfb h GLU 202 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3gfb h GLU 202 CO 0.99 0.14 -0.21 0.35 -0.73 0.00 0.00 179.01 179.55 3gfb h PHE 203 N 0.00 0.32 -0.63 0.92 3.57 -1.95 -2.33 116.94 116.83 3gfb h PHE 203 Ca -0.00 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.37 3gfb h PHE 203 Cb 0.24 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3gfb h PHE 203 CO 0.00 0.83 0.42 0.00 -2.23 0.00 0.00 178.31 177.32 3gfb h ARG 204 N -0.28 0.83 -0.36 1.11 3.08 -1.82 -1.94 114.38 115.00 3gfb h ARG 204 Ca -0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 3gfb h ARG 204 Cb 0.84 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3gfb h ARG 204 CO 0.04 0.55 -0.33 0.00 -1.07 0.00 0.00 179.97 179.17 3gfb h ARG 205 N 0.86 0.79 -0.64 0.04 3.08 -1.23 0.15 114.38 117.44 3gfb h ARG 205 Ca 0.23 -0.38 0.13 0.00 0.07 0.00 0.00 59.98 60.03 3gfb h ARG 205 Cb -0.09 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.85 3gfb h ARG 205 CO -0.05 1.01 0.12 0.87 -1.07 0.00 0.00 179.97 180.84 3gfb h LYS 206 N 0.67 0.23 0.08 0.04 1.57 -0.79 -0.67 116.57 117.69 3gfb h LYS 206 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gfb h LYS 206 Cb 0.87 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3gfb h LYS 206 CO 0.08 0.15 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.00 3gfb h LEU 207 N 0.23 -0.09 -0.66 2.94 3.38 -1.32 -2.12 115.31 117.68 3gfb h LEU 207 Ca 0.34 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.22 3gfb h LEU 207 Cb 0.53 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 3gfb h LEU 207 CO -0.45 0.18 -0.11 0.00 0.09 0.00 0.00 178.44 178.14 3gfb h ALA 208 N 0.53 0.51 0.00 1.53 0.00 -0.53 0.14 119.26 121.43 3gfb h ALA 208 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gfb h ALA 208 Cb 0.31 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gfb h ALA 208 CO 0.02 -0.42 -0.07 -0.22 0.00 0.00 0.00 179.25 178.56 3gfb h LYS 209 N 0.03 0.00 0.00 0.00 1.63 -0.95 -2.48 116.57 114.80 3gfb h LYS 209 Ca 0.33 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.02 3gfb h LYS 209 Cb 0.52 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 3gfb h LYS 209 CO -0.65 0.07 -0.72 0.87 -3.45 0.00 0.00 179.45 175.57 3gfb h LYS 210 N 0.00 0.00 -1.21 1.90 6.56 -0.08 -3.30 116.57 120.44 3gfb h LYS 210 Ca -0.00 0.00 0.44 0.00 -1.06 0.00 0.00 60.65 60.03 3gfb h LYS 210 Cb 0.37 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 31.87 3gfb h LYS 210 CO 0.01 0.64 0.73 0.28 -2.06 0.00 0.00 179.45 179.05 3gfb h VAL 211 N -1.00 0.03 0.00 0.50 2.07 -1.31 -3.46 116.25 113.09 3gfb h VAL 211 Ca -0.16 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3gfb h VAL 211 Cb 0.91 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3gfb h VAL 211 CO -0.10 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.11 3gfb n GLY 212 N -1.41 0.19 1.87 2.17 0.00 -1.06 -4.64 105.19 102.31 3gfb n GLY 212 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 3gfb n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb n ALA 213 N 0.00 -2.10 0.04 4.61 0.00 -0.96 -4.93 120.51 117.17 3gfb n ALA 213 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3gfb n ALA 213 Cb 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 3gfb n ALA 213 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gfb n ASP 214 N 0.99 0.57 -3.77 0.00 8.00 0.19 -4.75 116.55 117.78 3gfb n ASP 214 Ca 0.10 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 3gfb n ASP 214 Cb 0.10 0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 41.91 3gfb n ASP 214 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3gfb s TYR 215 N -3.22 -0.28 -0.03 1.24 2.02 -0.94 -4.99 117.35 111.15 3gfb s TYR 215 Ca -0.04 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.33 3gfb s TYR 215 Cb 0.10 0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.78 3gfb s TYR 215 CO 0.83 -0.23 -0.07 0.14 -1.57 0.00 0.00 175.55 174.65 3gfb s VAL 216 N -0.30 0.64 0.05 0.71 -7.23 -1.26 -0.01 120.40 112.99 3gfb s VAL 216 Ca -0.04 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 3gfb s VAL 216 Cb -0.03 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 3gfb s VAL 216 CO 0.01 0.22 -0.24 0.54 -0.31 0.00 0.00 175.10 175.33 3gfb s VAL 217 N 0.42 1.91 -0.49 1.32 0.11 0.11 -4.94 120.40 118.84 3gfb s VAL 217 Ca -0.06 -1.33 -0.16 0.00 -2.93 0.00 0.00 61.98 57.49 3gfb s VAL 217 Cb -0.10 -1.66 0.08 0.00 -1.53 0.00 0.00 36.38 33.17 3gfb s VAL 217 CO 0.00 0.26 0.46 0.21 -3.33 0.00 0.00 175.10 172.71 3gfb s ASN 218 N -1.29 6.17 0.09 3.54 3.84 -1.26 -1.15 114.94 124.87 3gfb s ASN 218 Ca 0.10 -1.33 -0.26 0.00 0.21 0.00 0.00 52.86 51.57 3gfb s ASN 218 Cb -0.09 -2.21 -0.15 0.00 -0.55 0.00 0.00 41.25 38.24 3gfb s ASN 218 CO 0.02 -0.74 1.70 1.55 -2.79 0.00 0.00 177.10 176.84 3gfb h PRO 219 N 8.83 -0.28 0.00 0.43 0.13 -1.76 -1.03 132.00 138.33 3gfb h PRO 219 Ca -0.29 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gfb h PRO 219 Cb 1.11 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gfb h PRO 219 CO 0.93 -0.18 0.64 1.19 -0.23 0.00 0.00 178.00 180.35 3gfb n PHE 220 N -5.22 0.05 -0.00 1.56 3.72 -1.26 -2.78 117.46 113.52 3gfb n PHE 220 Ca -0.09 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3gfb n PHE 220 Cb 0.15 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3gfb n PHE 220 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3gfb n GLU 221 N -1.64 0.03 -3.54 -1.08 4.07 -0.46 -5.08 120.64 112.94 3gfb n GLU 221 Ca -0.00 -0.01 -0.12 0.00 -0.06 0.00 0.00 57.16 56.97 3gfb n GLU 221 Cb 0.65 -1.01 -0.04 0.00 -0.06 0.00 0.00 31.44 30.97 3gfb n GLU 221 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3gfb s GLU 222 N -2.04 0.80 -0.31 5.31 2.12 -0.77 -5.05 118.70 118.78 3gfb s GLU 222 Ca -0.00 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 55.09 3gfb s GLU 222 Cb 0.00 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.78 3gfb s GLU 222 CO 0.02 -0.28 1.02 0.34 -0.54 0.00 0.00 175.26 175.82 3gfb s ASP 223 N -1.52 6.91 0.25 -1.70 2.15 -1.26 -4.15 116.67 117.34 3gfb s ASP 223 Ca -0.02 1.02 -0.01 0.00 0.43 0.00 0.00 52.55 53.97 3gfb s ASP 223 Cb -0.00 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.40 3gfb s ASP 223 CO 0.01 -0.81 1.69 1.55 -0.17 0.00 0.00 175.17 177.44 3gfb h PRO 224 N 8.01 0.65 -0.39 4.34 0.13 -1.89 0.10 132.00 142.96 3gfb h PRO 224 Ca -0.21 -0.24 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3gfb h PRO 224 Cb 1.07 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 3gfb h PRO 224 CO 1.00 0.81 0.22 0.28 -0.23 0.00 0.00 178.00 180.08 3gfb h VAL 225 N 0.58 1.04 -0.22 1.56 2.07 -1.91 -1.27 116.25 118.10 3gfb h VAL 225 Ca 0.09 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 3gfb h VAL 225 Cb 0.66 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3gfb h VAL 225 CO 0.05 0.08 -0.31 0.50 0.02 0.00 0.00 177.57 177.92 3gfb h LYS 226 N 0.45 0.45 0.17 1.57 1.63 -1.85 -1.59 116.57 117.40 3gfb h LYS 226 Ca 0.15 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3gfb h LYS 226 Cb 0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3gfb h LYS 226 CO -0.07 0.71 -0.08 0.35 -3.45 0.00 0.00 179.45 176.90 3gfb h PHE 227 N 0.39 -0.21 -0.10 1.91 3.57 -0.02 -0.20 116.94 122.27 3gfb h PHE 227 Ca 0.05 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3gfb h PHE 227 Cb 0.73 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3gfb h PHE 227 CO 0.02 -0.10 -0.23 0.28 -2.23 0.00 0.00 178.31 176.06 3gfb h VAL 228 N -0.26 0.44 -0.85 1.41 2.07 -1.01 -1.24 116.25 116.82 3gfb h VAL 228 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 3gfb h VAL 228 Cb 0.20 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3gfb h VAL 228 CO 0.04 0.00 0.55 0.24 0.02 0.00 0.00 177.57 178.42 3gfb h MET 229 N -0.31 0.79 -0.68 1.57 2.86 -1.20 0.29 114.93 118.26 3gfb h MET 229 Ca 0.09 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 3gfb h MET 229 Cb 0.44 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 3gfb h MET 229 CO -0.28 0.52 0.37 -0.44 1.06 0.00 0.00 176.91 178.15 3gfb h ASP 230 N 0.81 0.54 0.01 1.22 3.32 -0.31 -1.33 116.42 120.69 3gfb h ASP 230 Ca 0.39 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 3gfb h ASP 230 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gfb h ASP 230 CO -0.16 0.34 -0.01 0.40 -1.72 0.00 0.00 179.24 178.10 3gfb h ILE 231 N 0.68 1.28 0.00 0.35 2.04 0.20 -3.27 117.51 118.79 3gfb h ILE 231 Ca 0.31 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.28 3gfb h ILE 231 Cb 0.22 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3gfb h ILE 231 CO -0.20 0.42 0.00 0.35 0.00 0.00 0.00 178.15 178.72 3gfb n THR 232 N -4.68 0.33 -3.05 -0.27 -2.24 0.82 -4.86 114.28 100.32 3gfb n THR 232 Ca -0.07 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3gfb n THR 232 Cb 0.34 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3gfb n THR 232 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gfb n ASP 233 N 0.48 0.19 0.00 3.42 8.00 -1.12 0.43 116.55 127.95 3gfb n ASP 233 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.06 3gfb n ASP 233 Cb 0.23 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3gfb n ASP 233 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gfb n GLY 234 N -1.43 3.22 0.16 0.44 0.00 -0.52 -4.92 105.19 102.15 3gfb n GLY 234 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3gfb n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb h ALA 235 N 0.00 1.13 0.00 4.61 0.00 -0.31 -3.48 119.26 121.20 3gfb h ALA 235 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gfb h ALA 235 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gfb h ALA 235 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3gfb n GLY 236 N -0.02 -2.43 3.87 0.00 0.00 -1.26 -4.13 105.19 101.23 3gfb n GLY 236 Ca -0.01 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3gfb n GLY 236 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gfb s VAL 237 N -0.90 5.28 0.41 1.61 -7.23 -0.01 -4.58 120.40 114.98 3gfb s VAL 237 Ca 0.00 0.34 0.12 0.00 -1.81 0.00 0.00 61.98 60.62 3gfb s VAL 237 Cb 0.00 -3.56 0.16 0.00 0.56 0.00 0.00 36.38 33.54 3gfb s VAL 237 CO 0.00 0.47 1.93 -0.33 -0.31 0.00 0.00 175.10 176.86 3gfb h GLU 238 N 4.36 0.11 -4.18 4.82 4.39 -1.52 -1.83 114.58 120.72 3gfb h GLU 238 Ca -0.51 -0.03 -0.46 0.00 0.34 0.00 0.00 59.36 58.70 3gfb h GLU 238 Cb 1.21 -0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 29.50 3gfb h GLU 238 CO 0.63 0.30 -0.79 0.08 -1.16 0.00 0.00 179.01 178.07 3gfb s VAL 239 N -4.60 0.78 -0.14 3.13 1.01 -0.57 -1.72 120.40 118.28 3gfb s VAL 239 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3gfb s VAL 239 Cb 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3gfb s VAL 239 CO 0.72 0.29 -0.14 0.12 0.00 0.00 0.00 175.10 176.09 3gfb s PHE 240 N 1.08 2.09 -0.25 5.22 5.36 -0.77 -0.46 117.98 130.25 3gfb s PHE 240 Ca -0.08 -1.16 -0.05 0.00 -0.96 0.00 0.00 56.93 54.68 3gfb s PHE 240 Cb -0.14 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.99 3gfb s PHE 240 CO -0.01 -0.65 0.00 -0.51 -1.46 0.00 0.00 175.22 172.60 3gfb s LEU 241 N 1.49 3.31 -0.52 6.12 1.43 -0.28 -0.60 118.68 129.65 3gfb s LEU 241 Ca 0.05 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 3gfb s LEU 241 Cb -0.13 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.40 3gfb s LEU 241 CO -0.10 -0.10 0.51 -0.70 0.23 0.00 0.00 176.35 176.19 3gfb s GLU 242 N 1.46 3.02 -0.25 1.70 -6.30 0.85 -0.62 118.70 118.56 3gfb s GLU 242 Ca 0.04 -1.36 -0.09 0.00 -2.50 0.00 0.00 54.97 51.05 3gfb s GLU 242 Cb -0.16 -4.19 -0.16 0.00 0.00 0.00 0.00 34.13 29.62 3gfb s GLU 242 CO -0.01 -1.23 -0.18 1.19 0.02 0.00 0.00 175.26 175.05 3gfb n PHE 243 N 5.56 0.24 -0.33 5.30 3.72 0.17 -0.10 117.46 132.01 3gfb n PHE 243 Ca -0.11 0.08 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 3gfb n PHE 243 Cb 0.43 -1.03 0.27 0.00 -0.94 0.00 0.00 39.48 38.21 3gfb n PHE 243 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gfb h SER 244 N -0.55 0.72 -0.41 4.37 4.64 -1.16 -3.13 113.55 118.02 3gfb h SER 244 Ca -0.60 0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 60.63 3gfb h SER 244 Cb 1.72 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.69 3gfb h SER 244 CO -0.24 0.30 -0.16 0.61 -0.87 0.00 0.00 176.83 176.47 3gfb n GLY 245 N -1.33 0.94 3.63 -0.77 0.00 -1.26 -4.65 105.19 101.75 3gfb n GLY 245 Ca 0.20 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3gfb n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfb s ALA 246 N -1.99 3.61 0.29 4.61 0.00 -1.26 -4.12 121.76 122.90 3gfb s ALA 246 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3gfb s ALA 246 Cb 0.00 -3.21 0.69 0.00 0.00 0.00 0.00 23.12 20.60 3gfb s ALA 246 CO 0.00 -0.95 1.60 -1.35 0.00 0.00 0.00 175.76 175.06 3gfb h PRO 247 N 7.84 0.06 0.00 0.00 0.11 -1.96 0.38 132.00 138.43 3gfb h PRO 247 Ca -0.24 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3gfb h PRO 247 Cb 1.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gfb h PRO 247 CO 0.84 0.04 -0.05 -0.22 -0.21 0.00 0.00 178.00 178.40 3gfb h LYS 248 N 0.07 0.00 0.08 1.05 1.63 -2.00 -2.46 116.57 114.93 3gfb h LYS 248 Ca 0.56 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 60.05 3gfb h LYS 248 Cb 1.12 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 3gfb h LYS 248 CO -0.82 0.05 -1.62 0.00 -3.45 0.00 0.00 179.45 173.62 3gfb h ALA 249 N 1.95 0.43 -0.07 5.00 0.00 -0.66 -1.84 119.26 124.07 3gfb h ALA 249 Ca -0.00 -1.23 0.01 0.00 0.00 0.00 0.00 54.91 53.69 3gfb h ALA 249 Cb 0.16 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gfb h ALA 249 CO 0.01 1.29 -0.12 1.25 0.00 0.00 0.00 179.25 181.67 3gfb h LEU 250 N 0.05 -0.40 -0.93 0.00 5.85 -1.03 -1.51 115.31 117.34 3gfb h LEU 250 Ca -0.27 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.60 3gfb h LEU 250 Cb 2.00 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 43.07 3gfb h LEU 250 CO 0.13 -0.09 -0.50 1.21 -0.34 0.00 0.00 178.44 178.85 3gfb n GLU 251 N -3.26 -0.36 -0.32 1.25 2.13 -1.12 0.41 120.64 119.37 3gfb n GLU 251 Ca -0.01 1.41 -0.04 0.00 0.66 0.00 0.00 57.16 59.18 3gfb n GLU 251 Cb 0.08 -2.08 0.08 0.00 0.27 0.00 0.00 31.44 29.79 3gfb n GLU 251 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3gfb h GLN 252 N 0.00 1.18 -0.16 5.31 4.20 -0.94 -1.31 115.11 123.39 3gfb h GLN 252 Ca 0.20 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 3gfb h GLN 252 Cb 0.43 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3gfb h GLN 252 CO -0.89 0.85 -0.64 0.78 -0.67 0.00 0.00 178.83 178.27 3gfb h GLY 253 N 1.19 0.63 2.00 3.46 0.00 -0.23 -1.02 103.07 109.10 3gfb h GLY 253 Ca 0.30 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3gfb h GLY 253 CO -0.05 0.72 -0.04 1.41 0.00 0.00 0.00 176.54 178.57 3gfb h LEU 254 N 0.42 0.00 0.00 3.11 3.38 0.84 -0.10 115.31 122.96 3gfb h LEU 254 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 3gfb h LEU 254 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3gfb h LEU 254 CO 0.12 0.04 -1.25 0.11 0.09 0.00 0.00 178.44 177.55 3gfb h LYS 255 N 0.00 0.00 0.00 1.13 1.57 -0.54 -3.33 116.57 115.39 3gfb h LYS 255 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gfb h LYS 255 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gfb h LYS 255 CO 0.01 0.74 -0.50 0.00 -0.57 0.00 0.00 179.45 179.13 3gfb h ALA 256 N 1.05 0.71 -2.72 3.86 0.00 0.05 -3.47 119.26 118.75 3gfb h ALA 256 Ca -0.12 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.28 3gfb h ALA 256 Cb 1.83 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.70 3gfb h ALA 256 CO 0.10 0.00 0.48 0.54 0.00 0.00 0.00 179.25 180.37 3gfb s VAL 257 N -3.21 2.96 0.53 0.00 0.11 -0.17 -0.83 120.40 119.79 3gfb s VAL 257 Ca 0.06 0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 59.59 3gfb s VAL 257 Cb 0.11 -3.31 -0.07 0.00 -1.53 0.00 0.00 36.38 31.59 3gfb s VAL 257 CO 0.71 -0.06 1.04 0.28 -3.33 0.00 0.00 175.10 173.73 3gfb s THR 258 N -1.60 3.84 0.38 5.04 -1.32 -0.69 -4.65 115.64 116.65 3gfb s THR 258 Ca 0.69 1.02 -0.28 0.00 -1.21 0.00 0.00 61.69 61.91 3gfb s THR 258 Cb -0.29 -3.44 -0.11 0.00 -1.51 0.00 0.00 72.50 67.16 3gfb s THR 258 CO 0.33 -0.37 1.44 -2.65 -2.21 0.00 0.00 174.62 171.17 3gfb n PRO 259 N -1.42 2.52 -0.95 7.08 -0.02 -1.26 -0.48 135.00 140.47 3gfb n PRO 259 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3gfb n PRO 259 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3gfb n PRO 259 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gfb n GLY 260 N 0.53 0.35 1.45 -1.23 0.00 0.20 -5.02 105.19 101.47 3gfb n GLY 260 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3gfb n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfb n GLY 261 N -1.46 -1.57 3.01 -0.02 0.00 0.37 -4.81 105.19 100.71 3gfb n GLY 261 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 3gfb n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gfb s ARG 262 N -4.08 0.58 -0.04 1.61 3.00 -0.70 -2.88 118.95 116.44 3gfb s ARG 262 Ca 0.29 -0.39 0.03 0.00 -1.00 0.00 0.00 55.73 54.66 3gfb s ARG 262 Cb -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 34.95 34.42 3gfb s ARG 262 CO 0.20 0.13 -0.14 0.08 0.00 0.00 0.00 175.30 175.58 3gfb s VAL 263 N -0.45 1.16 -0.19 7.11 1.01 -0.08 -1.84 120.40 127.11 3gfb s VAL 263 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gfb s VAL 263 Cb -0.04 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.35 3gfb s VAL 263 CO 0.00 0.34 -0.18 -0.44 0.00 0.00 0.00 175.10 174.82 3gfb s SER 264 N 0.17 3.34 -0.50 3.32 0.01 0.23 0.23 113.70 120.50 3gfb s SER 264 Ca -0.05 -0.74 -0.14 0.00 1.31 0.00 0.00 55.95 56.33 3gfb s SER 264 Cb -0.11 -1.50 0.12 0.00 0.21 0.00 0.00 66.02 64.74 3gfb s SER 264 CO 0.02 -0.03 0.43 -0.76 0.41 0.00 0.00 173.24 173.31 3gfb s LEU 265 N 1.27 5.91 -0.12 2.44 1.43 0.91 -0.11 118.68 130.41 3gfb s LEU 265 Ca 0.03 -1.74 -0.07 0.00 -1.03 0.00 0.00 54.13 51.32 3gfb s LEU 265 Cb -0.14 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3gfb s LEU 265 CO -0.12 -0.77 -0.17 -0.11 0.23 0.00 0.00 176.35 175.42 3gfb n LEU 266 N 5.13 0.94 -4.53 1.79 7.94 0.02 -1.28 117.00 127.01 3gfb n LEU 266 Ca -0.12 0.16 -0.47 0.00 -1.11 0.00 0.00 56.01 54.47 3gfb n LEU 266 Cb 0.41 -0.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.94 3gfb n LEU 266 CO 0.49 0.22 0.45 0.61 -1.11 0.00 0.00 177.39 178.04 3gfb n GLY 267 N 2.21 -0.60 3.85 -3.96 0.00 0.85 -4.95 105.19 102.60 3gfb n GLY 267 Ca -0.24 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3gfb n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfb s LEU 268 N 1.18 4.42 0.23 0.99 1.43 -1.26 -4.36 118.68 121.31 3gfb s LEU 268 Ca 0.65 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3gfb s LEU 268 Cb -0.82 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 3gfb s LEU 268 CO 0.57 0.36 0.44 -0.36 0.23 0.00 0.00 176.35 177.59 3gfb s PHE 269 N -0.97 3.48 -0.17 0.29 0.40 -1.26 -4.21 117.98 115.55 3gfb s PHE 269 Ca 0.19 0.44 0.26 0.00 -0.60 0.00 0.00 56.93 57.22 3gfb s PHE 269 Cb -0.14 -1.93 0.71 0.00 0.51 0.00 0.00 43.02 42.17 3gfb s PHE 269 CO 0.08 0.31 1.74 -1.00 0.70 0.00 0.00 175.22 177.06 3gfb h PRO 270 N 1.92 0.00 -3.25 0.24 0.13 -1.99 -3.47 132.00 125.58 3gfb h PRO 270 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3gfb h PRO 270 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3gfb h PRO 270 CO 0.67 0.08 -0.12 -0.98 -0.23 0.00 0.00 178.00 177.42 3gfb s ARG 271 N -3.39 0.96 0.12 0.86 1.70 -1.26 -5.17 118.95 112.78 3gfb s ARG 271 Ca 0.04 -0.55 -0.27 0.00 -0.47 0.00 0.00 55.73 54.48 3gfb s ARG 271 Cb 0.07 0.42 -0.15 0.00 -0.57 0.00 0.00 34.95 34.72 3gfb s ARG 271 CO 0.63 -0.35 0.59 0.39 -1.08 0.00 0.00 175.30 175.49 3gfb n GLU 272 N 0.18 0.00 -4.34 3.89 1.02 -1.26 -5.00 120.64 115.13 3gfb n GLU 272 Ca -0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.73 3gfb n GLU 272 Cb 0.61 -0.99 -0.08 0.00 -0.02 0.00 0.00 31.44 30.97 3gfb n GLU 272 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gfb s VAL 273 N -0.58 3.14 -0.24 2.62 1.01 -1.26 -5.09 120.40 120.01 3gfb s VAL 273 Ca 0.62 -2.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 3gfb s VAL 273 Cb -0.88 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3gfb s VAL 273 CO 0.48 -0.35 -0.02 -0.89 0.00 0.00 0.00 175.10 174.32 3gfb s THR 274 N -2.29 3.45 -0.06 3.92 2.01 -1.26 -5.09 115.64 116.31 3gfb s THR 274 Ca 0.30 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3gfb s THR 274 Cb -0.06 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.82 3gfb s THR 274 CO 0.18 0.32 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 3gfb s ILE 275 N 1.47 1.36 -1.06 1.82 -1.09 -1.26 -4.99 121.20 117.45 3gfb s ILE 275 Ca 0.04 -0.64 -0.22 0.00 -2.23 0.00 0.00 60.65 57.60 3gfb s ILE 275 Cb -0.15 -1.20 0.01 0.00 -1.58 0.00 0.00 42.46 39.54 3gfb s ILE 275 CO -0.02 0.40 1.69 -0.62 -1.23 0.00 0.00 174.94 175.16 3gfb s ASP 276 N 0.39 6.02 0.24 3.58 2.15 -1.26 -4.82 116.67 122.98 3gfb s ASP 276 Ca -0.11 -1.44 -0.05 0.00 0.43 0.00 0.00 52.55 51.37 3gfb s ASP 276 Cb -0.15 -2.57 0.45 0.00 -0.30 0.00 0.00 42.92 40.36 3gfb s ASP 276 CO 0.04 -1.96 1.69 -0.26 -0.17 0.00 0.00 175.17 174.50 3gfb h PHE 277 N 9.80 0.28 0.07 -5.34 0.04 -1.96 -1.86 116.94 117.96 3gfb h PHE 277 Ca 0.22 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 3gfb h PHE 277 Cb 0.98 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.12 3gfb h PHE 277 CO 1.28 -0.08 -0.03 -0.91 -0.60 0.00 0.00 178.31 177.97 3gfb h ASN 278 N 0.27 -0.08 0.89 2.17 2.35 -1.96 0.13 115.58 119.36 3gfb h ASN 278 Ca 0.41 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.88 3gfb h ASN 278 Cb 0.69 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3gfb h ASN 278 CO -0.50 0.01 -1.17 0.78 -1.65 0.00 0.00 177.43 174.90 3gfb h ASN 279 N -0.16 0.00 0.00 5.81 2.35 -1.95 -0.14 115.58 121.49 3gfb h ASN 279 Ca -0.01 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.55 3gfb h ASN 279 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3gfb h ASN 279 CO 0.01 0.93 -2.00 0.18 -1.65 0.00 0.00 177.43 174.90 3gfb n LEU 280 N -3.23 0.00 0.00 1.61 4.77 -0.71 -4.22 117.00 115.23 3gfb n LEU 280 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3gfb n LEU 280 Cb 0.95 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.30 3gfb n LEU 280 CO 0.46 0.26 -0.47 0.00 -1.33 0.00 0.00 177.39 176.30 3gfb n ILE 281 N -2.43 0.00 0.09 -0.08 3.06 -0.04 -4.55 119.36 115.41 3gfb n ILE 281 Ca -0.18 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.03 3gfb n ILE 281 Cb 0.83 -0.90 -0.02 0.00 0.54 0.00 0.00 39.64 40.09 3gfb n ILE 281 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 3gfb h ILE 282 N 0.00 0.00 -0.04 9.51 2.04 -1.44 -1.80 117.51 125.78 3gfb h ILE 282 Ca 0.00 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3gfb h ILE 282 Cb 0.95 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3gfb h ILE 282 CO 0.00 0.00 0.09 -0.26 0.00 0.00 0.00 178.15 177.98 3gfb h PHE 283 N -0.46 0.00 -0.02 1.37 0.04 -1.23 -1.92 116.94 114.73 3gfb h PHE 283 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3gfb h PHE 283 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3gfb h PHE 283 CO 0.07 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.41 3gfb n LYS 284 N -3.38 1.67 -4.06 1.51 5.02 -1.23 -4.96 118.16 112.72 3gfb n LYS 284 Ca -0.02 -0.98 -0.39 0.00 -2.02 0.00 0.00 58.31 54.90 3gfb n LYS 284 Cb 0.17 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3gfb n LYS 284 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gfb n ALA 285 N 0.19 -2.42 -1.81 7.82 0.00 -0.72 0.61 120.51 124.18 3gfb n ALA 285 Ca 0.19 -0.48 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3gfb n ALA 285 Cb 0.36 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 3gfb n ALA 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfb s LEU 286 N -7.27 3.86 -0.28 0.00 1.43 -0.71 -3.83 118.68 111.88 3gfb s LEU 286 Ca 0.34 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3gfb s LEU 286 Cb -0.17 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.52 3gfb s LEU 286 CO 0.96 -0.51 0.04 -0.70 0.23 0.00 0.00 176.35 176.37 3gfb s GLU 287 N -3.34 3.02 -0.13 1.70 2.12 -1.14 -4.97 118.70 115.96 3gfb s GLU 287 Ca 0.63 -0.89 0.01 0.00 0.36 0.00 0.00 54.97 55.08 3gfb s GLU 287 Cb -0.11 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 3gfb s GLU 287 CO 0.18 -0.43 -0.16 0.08 -0.54 0.00 0.00 175.26 174.39 3gfb s VAL 288 N 1.45 2.75 -0.16 3.70 1.01 -1.26 -0.90 120.40 126.99 3gfb s VAL 288 Ca 0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3gfb s VAL 288 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 3gfb s VAL 288 CO 0.00 0.53 -0.10 -1.00 0.00 0.00 0.00 175.10 174.53 3gfb s HIS 289 N 0.43 2.87 -0.07 5.22 3.76 0.64 -4.95 115.29 123.19 3gfb s HIS 289 Ca -0.12 -0.73 -0.23 0.00 -0.15 0.00 0.00 55.06 53.84 3gfb s HIS 289 Cb -0.16 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 3gfb s HIS 289 CO 0.05 -0.31 0.67 0.20 -0.85 0.00 0.00 174.74 174.51 3gfb s GLY 290 N 0.68 2.59 -0.15 -2.22 0.00 -1.26 -0.06 107.32 106.89 3gfb s GLY 290 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3gfb s GLY 290 CO 0.02 1.13 -0.14 -0.42 0.00 0.00 0.00 173.10 173.68 3gfb s ILE 291 N 0.78 1.58 0.03 0.90 -1.09 -0.41 -4.94 121.20 118.05 3gfb s ILE 291 Ca 0.36 -0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3gfb s ILE 291 Cb -0.17 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3gfb s ILE 291 CO 0.17 0.46 0.08 0.28 -1.23 0.00 0.00 174.94 174.70 3gfb s THR 292 N 1.44 0.12 0.00 2.92 -1.32 -1.26 -4.60 115.64 112.93 3gfb s THR 292 Ca 0.04 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 3gfb s THR 292 Cb -0.13 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 3gfb s THR 292 CO -0.10 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.36 3gfb n GLY 293 N 0.99 0.15 3.16 6.08 0.00 -1.26 -4.51 105.19 109.80 3gfb n GLY 293 Ca -0.20 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 3gfb n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gfb s ARG 294 N 0.00 0.32 -0.08 1.61 0.52 -1.26 -4.67 118.95 115.39 3gfb s ARG 294 Ca 0.00 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.43 3gfb s ARG 294 Cb 0.00 0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 3gfb s ARG 294 CO 0.00 -0.10 1.64 -1.01 0.02 0.00 0.00 175.30 175.86 3gfb s HIS 295 N 0.68 2.01 -0.55 -0.53 3.76 -1.26 -3.72 115.29 115.68 3gfb s HIS 295 Ca -0.04 0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 3gfb s HIS 295 Cb -0.05 -3.91 0.05 0.00 1.11 0.00 0.00 32.58 29.78 3gfb s HIS 295 CO -0.04 -3.65 0.85 -0.51 -0.85 0.00 0.00 174.74 170.54 3gfb s LEU 296 N 4.24 4.39 -0.06 0.89 1.02 -1.26 -1.43 118.68 126.46 3gfb s LEU 296 Ca 0.73 -0.59 0.09 0.00 0.02 0.00 0.00 54.13 54.38 3gfb s LEU 296 Cb -0.32 -2.67 0.14 0.00 0.02 0.00 0.00 46.19 43.36 3gfb s LEU 296 CO 0.29 -1.16 1.03 0.79 0.02 0.00 0.00 176.35 177.32 3gfb n TRP 297 N 7.12 0.00 -0.36 0.29 7.02 -1.26 -4.94 117.44 125.31 3gfb n TRP 297 Ca -0.01 -0.54 0.31 0.00 -1.02 0.00 0.00 57.50 56.24 3gfb n TRP 297 Cb 0.47 -0.09 0.57 0.00 -2.42 0.00 0.00 31.31 29.83 3gfb n TRP 297 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3gfb h GLU 298 N 0.00 0.13 0.03 -0.99 3.07 -1.92 -2.23 114.58 112.68 3gfb h GLU 298 Ca 0.00 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 3gfb h GLU 298 Cb 1.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 3gfb h GLU 298 CO 0.00 0.09 -0.98 1.15 -1.40 0.00 0.00 179.01 177.87 3gfb h THR 299 N 0.14 1.57 -0.52 1.13 2.02 -1.61 -3.01 112.91 112.63 3gfb h THR 299 Ca 0.80 -2.96 -0.09 0.00 0.77 0.00 0.00 66.41 64.93 3gfb h THR 299 Cb 2.15 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 71.22 3gfb h THR 299 CO -0.61 0.86 -0.04 -0.50 0.37 0.00 0.00 175.52 175.60 3gfb h TRP 300 N 0.06 0.99 -0.21 3.16 4.06 -1.57 -1.69 115.95 120.75 3gfb h TRP 300 Ca -0.05 -0.17 0.01 0.00 2.06 0.00 0.00 58.89 60.74 3gfb h TRP 300 Cb 1.67 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 3gfb h TRP 300 CO 0.02 0.91 0.13 1.88 -3.56 0.00 0.00 178.44 177.82 3gfb h TYR 301 N 0.83 0.24 -0.14 0.49 0.05 -1.46 -0.49 116.97 116.49 3gfb h TYR 301 Ca 0.15 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3gfb h TYR 301 Cb 0.55 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3gfb h TYR 301 CO 0.03 0.15 0.05 1.15 -1.05 0.00 0.00 178.16 178.49 3gfb h THR 302 N 0.26 1.15 -0.25 -2.88 2.02 -1.46 -2.66 112.91 109.09 3gfb h THR 302 Ca 0.08 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3gfb h THR 302 Cb -0.02 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3gfb h THR 302 CO -0.03 0.14 -0.09 0.58 0.37 0.00 0.00 175.52 176.49 3gfb h VAL 303 N 0.07 0.68 -0.96 3.16 2.07 -1.21 0.11 116.25 120.16 3gfb h VAL 303 Ca 0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.70 3gfb h VAL 303 Cb 0.17 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 3gfb h VAL 303 CO -0.00 0.00 0.61 -1.28 0.02 0.00 0.00 177.57 176.92 3gfb h SER 304 N -0.05 0.82 0.30 0.57 0.87 -0.95 -0.93 113.55 114.18 3gfb h SER 304 Ca 0.13 0.05 -0.33 0.00 -1.23 0.00 0.00 61.79 60.40 3gfb h SER 304 Cb 0.24 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3gfb h SER 304 CO -0.28 0.42 -1.78 -1.28 -0.53 0.00 0.00 176.83 173.37 3gfb h SER 305 N 0.87 0.34 -0.07 6.23 0.87 -1.33 -1.96 113.55 118.50 3gfb h SER 305 Ca 0.49 -0.63 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 3gfb h SER 305 Cb 0.60 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3gfb h SER 305 CO -0.25 1.55 -0.28 -0.07 -0.53 0.00 0.00 176.83 177.25 3gfb h LEU 306 N 0.06 0.53 0.19 2.23 3.38 -0.66 -1.02 115.31 120.02 3gfb h LEU 306 Ca -0.34 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.45 3gfb h LEU 306 Cb 2.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 3gfb h LEU 306 CO 0.12 0.79 -0.24 0.40 0.09 0.00 0.00 178.44 179.60 3gfb h ILE 307 N 0.45 0.48 -0.44 1.22 2.04 -1.15 -2.52 117.51 117.59 3gfb h ILE 307 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 3gfb h ILE 307 Cb 0.72 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3gfb h ILE 307 CO 0.06 0.00 0.30 1.56 0.00 0.00 0.00 178.15 180.07 3gfb h GLN 308 N -0.49 0.18 0.00 2.37 1.08 -1.30 -2.00 115.11 114.95 3gfb h GLN 308 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3gfb h GLN 308 Cb 0.47 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3gfb h GLN 308 CO -0.09 0.12 0.00 -1.13 -0.95 0.00 0.00 178.83 176.78 3gfb n SER 309 N -4.45 0.25 0.00 1.46 3.41 -0.39 -4.86 113.62 109.03 3gfb n SER 309 Ca 0.07 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3gfb n SER 309 Cb 0.38 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3gfb n SER 309 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gfb n GLY 310 N -0.70 0.19 0.05 5.00 0.00 -0.75 -4.85 105.19 104.13 3gfb n GLY 310 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3gfb n GLY 310 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gfb n LYS 311 N -0.69 0.29 -2.27 1.61 4.76 -1.25 -4.76 118.16 115.85 3gfb n LYS 311 Ca 0.00 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 3gfb n LYS 311 Cb 0.26 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 3gfb n LYS 311 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gfb s LEU 312 N -4.03 4.24 -1.22 -0.35 1.43 -1.26 -4.43 118.68 113.07 3gfb s LEU 312 Ca 0.05 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.92 3gfb s LEU 312 Cb 0.14 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.98 3gfb s LEU 312 CO 0.77 -0.80 1.47 0.21 0.23 0.00 0.00 176.35 178.23 3gfb s ASN 313 N 2.40 7.05 0.20 2.29 2.47 -1.26 -4.74 114.94 123.34 3gfb s ASN 313 Ca 0.62 -2.93 0.23 0.00 0.42 0.00 0.00 52.86 51.19 3gfb s ASN 313 Cb -0.27 -2.42 0.01 0.00 -1.45 0.00 0.00 41.25 37.12 3gfb s ASN 313 CO 0.21 -0.80 1.05 0.18 -3.72 0.00 0.00 177.10 174.02 3gfb n LEU 314 N 5.99 0.83 -0.02 3.21 4.77 -1.26 -4.44 117.00 126.08 3gfb n LEU 314 Ca 0.38 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.59 3gfb n LEU 314 Cb 0.43 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3gfb n LEU 314 CO 0.64 -0.18 0.80 0.44 -1.33 0.00 0.00 177.39 177.77 3gfb h ASP 315 N 0.00 -0.29 -0.86 -1.43 3.32 -1.93 -1.69 116.42 113.54 3gfb h ASP 315 Ca 0.00 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.20 3gfb h ASP 315 Cb 0.98 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 3gfb h ASP 315 CO 0.00 -0.12 0.56 -0.65 -1.72 0.00 0.00 179.24 177.31 3gfb h PRO 316 N -0.08 0.89 -0.63 3.56 0.11 -1.94 -2.18 132.00 131.73 3gfb h PRO 316 Ca 0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3gfb h PRO 316 Cb 0.22 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3gfb h PRO 316 CO -0.22 0.59 0.27 0.82 -0.21 0.00 0.00 178.00 179.24 3gfb h ILE 317 N 0.91 1.22 -2.31 4.15 2.04 -1.56 -3.37 117.51 118.59 3gfb h ILE 317 Ca 0.38 -0.66 -0.57 0.00 1.00 0.00 0.00 64.86 65.01 3gfb h ILE 317 Cb 0.29 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 36.72 3gfb h ILE 317 CO -0.15 0.27 0.98 -0.63 0.00 0.00 0.00 178.15 178.62 3gfb s ILE 318 N -5.45 3.90 -0.13 -0.67 1.01 -0.82 0.28 121.20 119.33 3gfb s ILE 318 Ca -0.10 0.07 0.19 0.00 0.00 0.00 0.00 60.65 60.81 3gfb s ILE 318 Cb 0.16 -4.88 -0.20 0.00 0.01 0.00 0.00 42.46 37.56 3gfb s ILE 318 CO 0.80 -1.77 0.60 0.35 0.00 0.00 0.00 174.94 174.92 3gfb n THR 319 N 6.30 0.82 -3.82 2.92 -2.24 -0.41 -4.87 114.28 112.99 3gfb n THR 319 Ca 0.05 -0.65 -0.22 0.00 -2.27 0.00 0.00 64.05 60.96 3gfb n THR 319 Cb 0.48 -0.42 -0.17 0.00 -2.10 0.00 0.00 70.33 68.12 3gfb n THR 319 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gfb s HIS 320 N -3.06 0.61 -0.03 4.78 3.76 -1.20 -4.96 115.29 115.19 3gfb s HIS 320 Ca -0.05 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 3gfb s HIS 320 Cb 0.10 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 33.04 3gfb s HIS 320 CO 0.84 -0.29 -0.20 -1.59 -0.85 0.00 0.00 174.74 172.65 3gfb s LYS 321 N 1.78 1.83 -0.08 1.40 -2.85 -1.25 0.06 119.74 120.64 3gfb s LYS 321 Ca 0.02 -0.73 0.01 0.00 -1.00 0.00 0.00 55.97 54.27 3gfb s LYS 321 Cb -0.13 -1.68 0.02 0.00 -2.06 0.00 0.00 37.83 33.99 3gfb s LYS 321 CO -0.04 0.38 -0.07 0.71 0.10 0.00 0.00 175.35 176.42 3gfb s TYR 322 N -0.29 1.18 -0.19 1.78 2.02 0.76 -4.98 117.35 117.63 3gfb s TYR 322 Ca 0.03 -0.47 -0.23 0.00 -0.37 0.00 0.00 57.07 56.04 3gfb s TYR 322 Cb -0.10 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3gfb s TYR 322 CO 0.01 -0.34 0.72 0.15 -1.57 0.00 0.00 175.55 174.52 3gfb s LYS 323 N 1.22 4.25 0.81 -0.62 1.02 -1.26 0.04 119.74 125.20 3gfb s LYS 323 Ca -0.05 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3gfb s LYS 323 Cb -0.14 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 3gfb s LYS 323 CO -0.02 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 3gfb n GLY 324 N 3.65 -0.89 1.72 -3.33 0.00 0.11 -4.45 105.19 102.00 3gfb n GLY 324 Ca 0.01 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.40 3gfb n GLY 324 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gfb n PHE 325 N -2.07 1.91 0.07 1.61 3.72 -1.26 -4.60 117.46 116.84 3gfb n PHE 325 Ca 0.00 -0.80 -0.13 0.00 -0.05 0.00 0.00 57.45 56.47 3gfb n PHE 325 Cb 0.20 -0.49 -0.05 0.00 -0.94 0.00 0.00 39.48 38.20 3gfb n PHE 325 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gfb h ASP 326 N 3.50 0.49 -0.57 4.37 3.32 -1.97 -3.05 116.42 122.51 3gfb h ASP 326 Ca 0.02 -0.41 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 3gfb h ASP 326 Cb 1.92 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 41.23 3gfb h ASP 326 CO 0.47 1.21 0.19 0.29 -1.72 0.00 0.00 179.24 179.68 3gfb n LYS 327 N -3.72 3.26 -0.30 3.56 5.02 -1.26 -4.66 118.16 120.06 3gfb n LYS 327 Ca -0.07 -2.41 0.14 0.00 -2.02 0.00 0.00 58.31 53.95 3gfb n LYS 327 Cb 0.85 -2.03 0.31 0.00 -0.02 0.00 0.00 35.03 34.14 3gfb n LYS 327 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gfb h PHE 328 N 2.23 0.62 -0.21 2.13 -0.00 -1.86 -0.96 116.94 118.88 3gfb h PHE 328 Ca 0.19 0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 58.18 3gfb h PHE 328 Cb 1.96 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 37.77 3gfb h PHE 328 CO 1.00 -0.08 0.07 0.93 -0.00 0.00 0.00 178.31 180.23 3gfb h GLU 329 N 0.37 0.33 -0.87 6.09 5.08 -1.88 -1.95 114.58 121.76 3gfb h GLU 329 Ca 0.57 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 3gfb h GLU 329 Cb 1.09 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3gfb h GLU 329 CO -0.55 0.42 0.50 1.49 -1.00 0.00 0.00 179.01 179.87 3gfb h GLU 330 N 0.18 1.19 0.77 2.33 4.81 -1.74 -1.10 114.58 121.02 3gfb h GLU 330 Ca 0.07 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3gfb h GLU 330 Cb 0.23 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3gfb h GLU 330 CO -0.00 0.85 -0.43 0.00 -0.73 0.00 0.00 179.01 178.71 3gfb h ALA 331 N 1.34 -1.27 -0.85 2.92 0.00 -0.87 0.12 119.26 120.66 3gfb h ALA 331 Ca 0.31 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3gfb h ALA 331 Cb -0.01 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3gfb h ALA 331 CO -0.05 -1.21 0.46 0.74 0.00 0.00 0.00 179.25 179.19 3gfb h PHE 332 N -1.10 0.83 -0.63 0.00 0.04 -1.39 -1.98 116.94 112.71 3gfb h PHE 332 Ca -0.10 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3gfb h PHE 332 Cb 0.87 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 3gfb h PHE 332 CO -0.03 0.26 0.38 0.93 -0.60 0.00 0.00 178.31 179.25 3gfb h GLU 333 N 0.71 0.85 -0.24 1.51 4.39 -1.07 0.21 114.58 120.95 3gfb h GLU 333 Ca 0.44 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.95 3gfb h GLU 333 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3gfb h GLU 333 CO -0.31 0.61 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.73 3gfb h LEU 334 N 0.85 0.53 0.14 1.33 3.38 -0.44 -1.80 115.31 119.30 3gfb h LEU 334 Ca 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gfb h LEU 334 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gfb h LEU 334 CO -0.04 0.84 -0.21 -0.03 0.09 0.00 0.00 178.44 179.08 3gfb h MET 335 N 0.43 -0.36 -0.96 1.13 4.05 -1.23 0.17 114.93 118.17 3gfb h MET 335 Ca 0.05 0.02 0.27 0.00 -0.28 0.00 0.00 59.70 59.76 3gfb h MET 335 Cb 0.81 0.08 -0.17 0.00 -0.80 0.00 0.00 31.60 31.52 3gfb h MET 335 CO 0.07 -0.24 0.09 0.00 0.23 0.00 0.00 176.91 177.06 3gfb h ARG 336 N -0.38 0.04 0.00 0.39 3.08 -0.49 -0.59 114.38 116.43 3gfb h ARG 336 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gfb h ARG 336 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3gfb h ARG 336 CO -0.06 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3gfb n ALA 337 N -3.00 2.06 -2.28 0.04 0.00 -0.69 -4.89 120.51 111.75 3gfb n ALA 337 Ca 0.23 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 3gfb n ALA 337 Cb 0.77 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 3gfb n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfb n GLY 338 N 0.01 -0.11 0.83 0.00 0.00 -0.23 -4.94 105.19 100.75 3gfb n GLY 338 Ca 0.07 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3gfb n GLY 338 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gfb n LYS 339 N -2.20 1.87 -5.02 1.61 5.02 0.58 -4.92 118.16 115.11 3gfb n LYS 339 Ca -0.13 -1.74 -0.31 0.00 -2.02 0.00 0.00 58.31 54.11 3gfb n LYS 339 Cb 0.60 -1.40 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 3gfb n LYS 339 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3gfb s THR 340 N -1.71 2.27 0.00 -0.18 -4.23 -1.25 -4.94 115.64 105.60 3gfb s THR 340 Ca 0.24 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3gfb s THR 340 Cb 0.17 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.15 3gfb s THR 340 CO 0.26 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 3gfb n GLY 341 N 2.03 -0.13 3.87 3.99 0.00 -1.25 -4.87 105.19 108.82 3gfb n GLY 341 Ca -0.16 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3gfb n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gfb s LYS 342 N 0.00 3.83 -0.15 1.61 -0.14 0.80 -4.80 119.74 120.89 3gfb s LYS 342 Ca 0.00 0.32 -0.00 0.00 -1.36 0.00 0.00 55.97 54.93 3gfb s LYS 342 Cb 0.00 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 3gfb s LYS 342 CO 0.00 0.33 -0.14 0.08 -0.76 0.00 0.00 175.35 174.87 3gfb s VAL 343 N -1.77 2.84 -0.16 3.17 1.01 -1.26 -1.28 120.40 122.94 3gfb s VAL 343 Ca 0.46 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3gfb s VAL 343 Cb -0.12 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3gfb s VAL 343 CO 0.21 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.92 3gfb s VAL 344 N 0.72 2.06 -0.05 2.92 1.01 0.11 -2.67 120.40 124.51 3gfb s VAL 344 Ca -0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 3gfb s VAL 344 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3gfb s VAL 344 CO 0.02 0.54 0.32 -0.36 0.00 0.00 0.00 175.10 175.62 3gfb s PHE 345 N 1.08 3.67 -0.62 5.22 0.08 0.17 -0.17 117.98 127.41 3gfb s PHE 345 Ca -0.00 0.83 -0.00 0.00 0.12 0.00 0.00 56.93 57.88 3gfb s PHE 345 Cb -0.14 -2.19 0.16 0.00 -0.57 0.00 0.00 43.02 40.28 3gfb s PHE 345 CO -0.08 0.65 0.42 -0.06 -0.10 0.00 0.00 175.22 176.05 3gfb s PHE 346 N -0.97 3.38 0.66 0.36 0.40 0.11 -1.17 117.98 120.75 3gfb s PHE 346 Ca 0.21 -2.93 0.34 0.00 -0.60 0.00 0.00 56.93 53.95 3gfb s PHE 346 Cb -0.15 -3.06 1.84 0.00 0.51 0.00 0.00 43.02 42.17 3gfb s PHE 346 CO 0.10 -0.78 2.05 -1.35 0.70 0.00 0.00 175.22 175.94 3gfb h PRO 347 N 6.66 0.00 -2.20 0.24 0.11 -1.75 0.36 132.00 135.42 3gfb h PRO 347 Ca -0.01 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.54 3gfb h PRO 347 Cb 0.91 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.60 3gfb h PRO 347 CO 0.72 0.00 -0.81 0.72 -0.21 0.00 0.00 178.00 178.41 3gfb n HIS 348 N -3.01 2.83 0.00 0.65 8.25 -1.26 -4.32 115.22 118.35 3gfb n HIS 348 Ca -0.02 -3.95 0.00 0.00 -0.26 0.00 0.00 57.72 53.50 3gfb n HIS 348 Cb 0.30 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3gfb n HIS 348 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61