#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5x s GLU 25 N 0.00 4.57 -0.04 1.97 2.56 -1.26 -5.03 118.70 121.47 3d5x s GLU 25 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 54.97 55.94 3d5x s GLU 25 Cb 0.00 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.68 3d5x s GLU 25 CO 0.00 0.12 1.22 0.42 -0.56 0.00 0.00 175.26 176.46 3d5x s ILE 26 N 0.46 4.17 0.61 -3.70 1.01 -1.26 -5.00 121.20 117.49 3d5x s ILE 26 Ca 0.45 1.51 -0.18 0.00 0.00 0.00 0.00 60.65 62.43 3d5x s ILE 26 Cb -0.21 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3d5x s ILE 26 CO 0.26 0.01 0.99 -2.65 0.00 0.00 0.00 174.94 173.55 3d5x n PRO 27 N 5.09 0.89 0.02 2.79 -0.02 -1.26 -4.94 135.00 137.57 3d5x n PRO 27 Ca 0.11 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 3d5x n PRO 27 Cb 0.46 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3d5x n PRO 27 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d5x h ASP 28 N 0.44 0.61 -3.23 2.55 5.19 -1.94 -3.43 116.42 116.61 3d5x h ASP 28 Ca -0.49 -0.38 -0.66 0.00 -0.62 0.00 0.00 57.03 54.88 3d5x h ASP 28 Cb 1.36 -0.18 -0.31 0.00 0.18 0.00 0.00 39.33 40.38 3d5x h ASP 28 CO 0.51 1.12 -0.80 -0.69 -3.12 0.00 0.00 179.24 176.26 3d5x s VAL 29 N -3.75 2.67 -0.32 -1.35 1.01 -1.26 -0.52 120.40 116.87 3d5x s VAL 29 Ca -0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3d5x s VAL 29 Cb 0.10 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3d5x s VAL 29 CO 0.85 0.49 0.30 -0.76 0.00 0.00 0.00 175.10 175.99 3d5x s LEU 30 N 1.22 4.34 0.16 3.92 1.43 0.19 -4.92 118.68 125.02 3d5x s LEU 30 Ca 0.02 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 3d5x s LEU 30 Cb -0.14 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3d5x s LEU 30 CO -0.06 -0.24 -0.19 0.68 0.23 0.00 0.00 176.35 176.77 3d5x s VAL 31 N 1.90 2.73 0.01 -1.59 -7.23 -1.26 -0.65 120.40 114.32 3d5x s VAL 31 Ca 0.10 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3d5x s VAL 31 Cb -0.17 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 3d5x s VAL 31 CO 0.11 -0.01 -0.13 1.51 -0.31 0.00 0.00 175.10 176.27 3d5x s ASP 32 N -2.45 1.55 0.31 4.85 -4.77 -1.25 -5.01 116.67 109.91 3d5x s ASP 32 Ca 0.20 -0.33 0.05 0.00 -3.30 0.00 0.00 52.55 49.16 3d5x s ASP 32 Cb -0.09 -0.14 0.52 0.00 -1.09 0.00 0.00 42.92 42.12 3d5x s ASP 32 CO 0.11 0.10 1.78 -0.65 0.70 0.00 0.00 175.17 177.21 3d5x h PRO 33 N 5.41 0.41 0.00 2.11 0.11 -1.95 -2.42 132.00 135.68 3d5x h PRO 33 Ca -0.35 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3d5x h PRO 33 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3d5x h PRO 33 CO 0.47 0.60 0.00 0.54 -0.21 0.00 0.00 178.00 179.40 3d5x n ARG 34 N -4.16 0.00 0.19 1.05 3.00 -1.26 -4.15 116.66 111.33 3d5x n ARG 34 Ca -0.00 0.17 0.06 0.00 -0.01 0.00 0.00 57.85 58.07 3d5x n ARG 34 Cb 0.36 -0.95 0.38 0.00 0.00 0.00 0.00 32.46 32.26 3d5x n ARG 34 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3d5x h THR 35 N 0.00 0.95 -5.68 0.55 1.35 -1.99 -3.47 112.91 104.62 3d5x h THR 35 Ca 0.00 -1.37 -0.43 0.00 -0.55 0.00 0.00 66.41 64.06 3d5x h THR 35 Cb 0.00 1.81 0.04 0.00 -1.73 0.00 0.00 68.15 68.27 3d5x h THR 35 CO 0.00 0.35 -0.68 0.23 -0.25 0.00 0.00 175.52 175.17 3d5x n MET 36 N -3.68 -6.01 -3.74 4.72 2.81 -0.91 -5.02 117.12 105.30 3d5x n MET 36 Ca -0.01 0.73 -0.31 0.00 -1.81 0.00 0.00 57.70 56.30 3d5x n MET 36 Cb 0.46 -5.65 -0.04 0.00 -0.71 0.00 0.00 33.22 27.27 3d5x n MET 36 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3d5x s LYS 37 N -6.27 3.56 -0.24 0.03 1.02 -1.26 -4.94 119.74 111.64 3d5x s LYS 37 Ca 0.54 -0.21 -0.08 0.00 0.02 0.00 0.00 55.97 56.24 3d5x s LYS 37 Cb -0.26 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3d5x s LYS 37 CO 0.67 0.49 0.08 1.03 -0.92 0.00 0.00 175.35 176.69 3d5x s ARG 38 N -2.71 3.71 -0.24 1.68 0.52 -1.26 -3.75 118.95 116.90 3d5x s ARG 38 Ca 0.39 -0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3d5x s ARG 38 Cb -0.12 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 3d5x s ARG 38 CO 0.26 -0.13 0.02 0.71 0.02 0.00 0.00 175.30 176.18 3d5x s TYR 39 N 1.46 3.03 -0.28 -0.53 1.51 0.18 0.09 117.35 122.81 3d5x s TYR 39 Ca 0.06 -0.72 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 3d5x s TYR 39 Cb -0.15 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 3d5x s TYR 39 CO 0.04 -0.47 0.92 1.41 -1.11 0.00 0.00 175.55 176.34 3d5x s MET 40 N 1.54 4.09 -0.05 -0.62 1.75 0.12 0.57 119.30 126.71 3d5x s MET 40 Ca 0.06 0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 55.14 3d5x s MET 40 Cb -0.15 -3.70 -0.04 0.00 2.84 0.00 0.00 34.83 33.78 3d5x s MET 40 CO 0.00 -0.69 1.38 0.50 -0.65 0.00 0.00 175.02 175.56 3d5x s ARG 41 N 3.16 4.27 0.00 4.11 3.00 0.32 -1.65 118.95 132.16 3d5x s ARG 41 Ca 0.39 1.89 0.00 0.00 -1.00 0.00 0.00 55.73 57.00 3d5x s ARG 41 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.15 3d5x s ARG 41 CO 0.11 -0.62 0.00 0.41 0.00 0.00 0.00 175.30 175.20 3d5x n GLY 42 N 3.66 3.67 3.69 8.12 0.00 -0.22 -4.94 105.19 119.16 3d5x n GLY 42 Ca 0.13 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3d5x n GLY 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d5x n ARG 43 N 0.00 2.39 -2.00 1.61 0.63 -1.24 -4.50 116.66 113.55 3d5x n ARG 43 Ca 0.00 0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 57.37 3d5x n ARG 43 Cb 0.00 -2.66 -0.03 0.00 0.45 0.00 0.00 32.46 30.22 3d5x n ARG 43 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3d5x s PHE 44 N 1.06 2.64 -0.10 -0.14 2.19 -1.26 -0.29 117.98 122.08 3d5x s PHE 44 Ca 0.78 0.50 0.17 0.00 0.33 0.00 0.00 56.93 58.71 3d5x s PHE 44 Cb -0.61 -3.88 -0.26 0.00 -1.31 0.00 0.00 43.02 36.96 3d5x s PHE 44 CO 0.36 -3.43 0.23 1.28 1.83 0.00 0.00 175.22 175.49 3d5x n LEU 45 N 5.24 0.00 0.00 6.12 4.77 -0.54 -4.90 117.00 127.68 3d5x n LEU 45 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3d5x n LEU 45 Cb 0.41 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3d5x n LEU 45 CO 0.61 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3d5x n GLY 46 N 1.67 1.76 3.27 -0.72 0.00 -1.20 -5.02 105.19 104.96 3d5x n GLY 46 Ca -0.17 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 3d5x n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5x s LYS 47 N -1.49 1.36 -0.30 1.61 -2.85 -1.26 -0.67 119.74 116.13 3d5x s LYS 47 Ca 0.00 -1.73 -0.15 0.00 -1.00 0.00 0.00 55.97 53.09 3d5x s LYS 47 Cb 0.00 -0.02 0.18 0.00 -2.06 0.00 0.00 37.83 35.93 3d5x s LYS 47 CO 0.00 -0.36 1.06 0.20 0.10 0.00 0.00 175.35 176.36 3d5x s GLY 48 N -3.26 -0.19 -0.85 0.59 0.00 -0.81 -4.97 107.32 97.83 3d5x s GLY 48 Ca 0.38 3.00 -0.04 0.00 0.00 0.00 0.00 44.72 48.07 3d5x s GLY 48 CO 0.14 3.55 0.73 0.61 0.00 0.00 0.00 173.10 178.13 3d5x n GLY 49 N 5.16 -0.04 3.16 0.20 0.00 -1.26 -2.89 105.19 109.51 3d5x n GLY 49 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3d5x n GLY 49 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d5x n PHE 50 N -3.76 0.00 -3.39 1.61 0.99 -1.26 -4.95 117.46 106.70 3d5x n PHE 50 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.97 3d5x n PHE 50 Cb 0.56 -1.65 -0.09 0.00 -1.00 0.00 0.00 39.48 37.30 3d5x n PHE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d5x s ALA 51 N -1.17 3.48 0.25 4.37 0.00 -1.14 -4.78 121.76 122.77 3d5x s ALA 51 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 3d5x s ALA 51 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 3d5x s ALA 51 CO 0.00 -1.22 0.67 0.15 0.00 0.00 0.00 175.76 175.36 3d5x s LYS 52 N 2.01 4.02 -0.02 0.00 -0.14 -0.86 -1.92 119.74 122.83 3d5x s LYS 52 Ca 0.11 0.61 0.05 0.00 -1.36 0.00 0.00 55.97 55.38 3d5x s LYS 52 Cb -0.17 -2.66 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 3d5x s LYS 52 CO 0.12 0.30 -0.17 0.00 -0.76 0.00 0.00 175.35 174.84 3d5x s TYR 54 N -0.21 0.95 -0.42 0.00 1.51 -0.11 -1.47 117.35 117.61 3d5x s TYR 54 Ca 0.02 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.36 3d5x s TYR 54 Cb -0.08 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 3d5x s TYR 54 CO 0.00 -0.01 1.53 -2.00 -1.11 0.00 0.00 175.55 173.97 3d5x s GLU 55 N -1.49 3.44 -0.08 -0.62 2.12 0.61 0.34 118.70 123.02 3d5x s GLU 55 Ca -0.04 0.98 -0.01 0.00 0.36 0.00 0.00 54.97 56.26 3d5x s GLU 55 Cb -0.09 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 3d5x s GLU 55 CO 0.01 -1.74 -0.03 0.96 -0.54 0.00 0.00 175.26 173.93 3d5x s ILE 56 N 6.03 4.06 -0.13 -3.70 -4.36 0.49 -1.06 121.20 122.54 3d5x s ILE 56 Ca 0.65 -0.35 0.02 0.00 -0.26 0.00 0.00 60.65 60.70 3d5x s ILE 56 Cb -0.15 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 3d5x s ILE 56 CO 0.31 0.59 -0.19 -0.89 0.24 0.00 0.00 174.94 175.01 3d5x s THR 57 N -0.86 2.47 -0.20 8.37 2.01 -0.66 0.06 115.64 126.83 3d5x s THR 57 Ca 0.13 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 3d5x s THR 57 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3d5x s THR 57 CO 0.02 0.54 1.90 -0.62 -0.69 0.00 0.00 174.62 175.77 3d5x s ASP 58 N 0.53 6.00 0.00 3.53 2.15 -0.82 0.14 116.67 128.20 3d5x s ASP 58 Ca -0.12 1.82 0.09 0.00 0.43 0.00 0.00 52.55 54.77 3d5x s ASP 58 Cb -0.16 -2.52 0.46 0.00 -0.30 0.00 0.00 42.92 40.39 3d5x s ASP 58 CO 0.04 -1.53 1.16 0.23 -0.17 0.00 0.00 175.17 174.90 3d5x n MET 59 N 8.14 0.13 -0.06 4.34 2.81 0.11 -0.27 117.12 132.32 3d5x n MET 59 Ca 0.23 0.20 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 3d5x n MET 59 Cb 0.45 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 3d5x n MET 59 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3d5x n ASP 60 N -1.28 1.39 0.14 7.83 8.00 -1.26 -4.74 116.55 126.62 3d5x n ASP 60 Ca 0.04 0.23 0.12 0.00 0.71 0.00 0.00 54.79 55.89 3d5x n ASP 60 Cb 0.07 -0.53 0.06 0.00 -0.02 0.00 0.00 41.12 40.70 3d5x n ASP 60 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3d5x h THR 61 N -0.59 0.00 -1.08 -3.53 1.35 -1.94 -3.48 112.91 103.63 3d5x h THR 61 Ca -0.21 -0.98 -0.18 0.00 -0.55 0.00 0.00 66.41 64.50 3d5x h THR 61 Cb 0.97 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 3d5x h THR 61 CO -0.12 0.00 -0.21 0.29 -0.25 0.00 0.00 175.52 175.22 3d5x n LYS 62 N -2.78 -0.68 -3.99 4.72 4.76 0.63 -5.02 118.16 115.79 3d5x n LYS 62 Ca 0.01 0.50 -0.37 0.00 -2.87 0.00 0.00 58.31 55.59 3d5x n LYS 62 Cb 0.54 -4.46 -0.07 0.00 -1.84 0.00 0.00 35.03 29.20 3d5x n LYS 62 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3d5x s GLU 63 N -4.10 3.34 0.00 1.97 2.56 -1.26 -4.82 118.70 116.40 3d5x s GLU 63 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 54.97 54.57 3d5x s GLU 63 Cb 0.00 -3.10 -0.05 0.00 2.00 0.00 0.00 34.13 32.97 3d5x s GLU 63 CO 0.00 0.76 0.59 0.08 -0.56 0.00 0.00 175.26 176.13 3d5x s VAL 64 N -0.98 4.89 0.18 3.70 1.01 -1.26 -1.94 120.40 126.00 3d5x s VAL 64 Ca 0.15 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.37 3d5x s VAL 64 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3d5x s VAL 64 CO 0.04 0.43 0.02 -0.36 0.00 0.00 0.00 175.10 175.23 3d5x s PHE 65 N -0.29 1.23 -0.47 5.22 0.40 0.11 -4.63 117.98 119.54 3d5x s PHE 65 Ca 0.31 -1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 3d5x s PHE 65 Cb -0.18 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.69 3d5x s PHE 65 CO 0.17 -0.26 0.55 0.00 0.70 0.00 0.00 175.22 176.38 3d5x s ALA 66 N -3.71 3.42 -0.50 5.36 0.00 0.16 -0.38 121.76 126.11 3d5x s ALA 66 Ca 0.26 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 3d5x s ALA 66 Cb 0.06 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.99 3d5x s ALA 66 CO 0.05 -1.85 0.87 0.20 0.00 0.00 0.00 175.76 175.04 3d5x s GLY 67 N 2.40 1.50 -0.33 0.00 0.00 0.15 -1.52 107.32 109.53 3d5x s GLY 67 Ca 0.13 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 3d5x s GLY 67 CO 0.12 1.93 0.85 1.25 0.00 0.00 0.00 173.10 177.25 3d5x s LYS 68 N 3.62 3.93 -0.25 2.90 2.20 0.66 -0.93 119.74 131.87 3d5x s LYS 68 Ca 0.31 0.61 -0.05 0.00 -0.36 0.00 0.00 55.97 56.48 3d5x s LYS 68 Cb -0.12 -3.75 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 3d5x s LYS 68 CO 0.21 -0.77 0.01 0.08 -0.36 0.00 0.00 175.35 174.52 3d5x s VAL 69 N 3.15 3.67 -0.12 4.02 1.01 0.27 -0.68 120.40 131.72 3d5x s VAL 69 Ca 0.35 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3d5x s VAL 69 Cb -0.13 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3d5x s VAL 69 CO 0.14 0.30 -0.15 0.54 0.00 0.00 0.00 175.10 175.93 3d5x s VAL 70 N 1.50 1.54 0.42 2.92 0.11 -0.78 -2.03 120.40 124.08 3d5x s VAL 70 Ca 0.05 -0.65 -0.25 0.00 -2.93 0.00 0.00 61.98 58.20 3d5x s VAL 70 Cb -0.15 -1.42 -0.08 0.00 -1.53 0.00 0.00 36.38 33.19 3d5x s VAL 70 CO -0.01 0.45 1.17 -2.84 -3.33 0.00 0.00 175.10 170.55 3d5x s PRO 71 N 1.16 3.97 0.57 1.54 0.02 -1.26 -0.73 135.00 140.27 3d5x s PRO 71 Ca -0.03 1.83 0.36 0.00 0.02 0.00 0.00 61.00 63.18 3d5x s PRO 71 Cb -0.14 -2.60 1.59 0.00 0.02 0.00 0.00 34.50 33.36 3d5x s PRO 71 CO -0.05 -0.39 2.06 0.87 -0.33 0.00 0.00 177.00 179.17 3d5x h LYS 72 N 2.47 0.00 0.00 5.54 1.57 -1.02 -2.31 116.57 122.82 3d5x h LYS 72 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d5x h LYS 72 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3d5x h LYS 72 CO 0.62 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.16 3d5x h SER 73 N 0.00 0.00 0.88 0.86 4.64 -1.92 -2.15 113.55 115.86 3d5x h SER 73 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3d5x h SER 73 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3d5x h SER 73 CO 0.00 0.00 -1.21 0.24 -0.87 0.00 0.00 176.83 174.99 3d5x h MET 74 N 0.00 0.00 -2.24 4.77 2.86 -1.80 -3.38 114.93 115.14 3d5x h MET 74 Ca 0.00 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.92 3d5x h MET 74 Cb 0.41 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 31.74 3d5x h MET 74 CO 0.00 0.44 0.37 1.28 1.06 0.00 0.00 176.91 180.05 3d5x n LEU 75 N -3.03 6.23 0.03 1.22 7.99 -0.81 -4.74 117.00 123.88 3d5x n LEU 75 Ca -0.07 -5.48 -0.20 0.00 -0.01 0.00 0.00 56.01 50.25 3d5x n LEU 75 Cb 0.86 -0.92 -0.14 0.00 -0.11 0.00 0.00 43.42 43.10 3d5x n LEU 75 CO 0.43 2.16 -0.02 -0.07 -1.51 0.00 0.00 177.39 178.38 3d5x h LEU 76 N 3.66 0.39 -9.60 2.23 3.38 -1.73 -3.45 115.31 110.20 3d5x h LEU 76 Ca 0.38 -0.93 -0.52 0.00 0.09 0.00 0.00 57.88 56.90 3d5x h LEU 76 Cb 0.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3d5x h LEU 76 CO 1.05 1.40 0.48 -0.75 0.09 0.00 0.00 178.44 180.71 3d5x s LYS 77 N -2.41 4.56 0.65 1.13 2.47 -1.26 -4.94 119.74 119.94 3d5x s LYS 77 Ca -0.16 1.70 0.39 0.00 -1.56 0.00 0.00 55.97 56.35 3d5x s LYS 77 Cb 0.01 -3.31 2.17 0.00 -1.46 0.00 0.00 37.83 35.25 3d5x s LYS 77 CO 0.80 -0.00 2.27 -1.35 0.16 0.00 0.00 175.35 177.22 3d5x h PRO 78 N 5.60 0.00 -0.51 4.03 0.11 -1.99 -1.03 132.00 138.21 3d5x h PRO 78 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3d5x h PRO 78 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3d5x h PRO 78 CO 0.74 0.00 -0.08 1.25 -0.21 0.00 0.00 178.00 179.70 3d5x h HIS 79 N 0.00 1.07 0.00 0.65 -0.00 -1.99 -2.83 115.15 112.05 3d5x h HIS 79 Ca 0.01 -0.22 -0.12 0.00 -0.00 0.00 0.00 60.37 60.04 3d5x h HIS 79 Cb 0.15 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 3d5x h HIS 79 CO 0.00 1.01 -0.57 1.96 -0.00 0.00 0.00 177.93 180.33 3d5x h GLN 80 N 0.82 0.00 -0.17 5.26 4.20 -1.59 -3.21 115.11 120.42 3d5x h GLN 80 Ca 0.13 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 3d5x h GLN 80 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3d5x h GLN 80 CO 0.04 0.57 -0.45 0.87 -0.67 0.00 0.00 178.83 179.19 3d5x h LYS 81 N 0.00 0.41 0.00 1.46 1.57 -1.40 -3.21 116.57 115.40 3d5x h LYS 81 Ca -0.01 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3d5x h LYS 81 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3d5x h LYS 81 CO 0.07 0.78 0.00 -1.91 -0.57 0.00 0.00 179.45 177.83 3d5x n GLU 82 N -4.00 0.00 0.00 3.15 2.13 -1.07 -2.68 120.64 118.16 3d5x n GLU 82 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3d5x n GLU 82 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 3d5x n GLU 82 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3d5x n LYS 83 N 0.00 0.00 0.07 5.31 2.85 -1.26 -1.38 118.16 123.76 3d5x n LYS 83 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 3d5x n LYS 83 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 3d5x n LYS 83 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 3d5x h MET 84 N 0.00 0.25 -0.35 -1.58 1.85 -1.67 -3.02 114.93 110.41 3d5x h MET 84 Ca 0.00 -0.43 -0.07 0.00 -0.61 0.00 0.00 59.70 58.59 3d5x h MET 84 Cb 0.00 0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 3d5x h MET 84 CO 0.00 1.14 -0.06 0.77 -0.40 0.00 0.00 176.91 178.36 3d5x h SER 85 N 0.07 0.55 -0.17 1.39 0.02 -1.22 0.29 113.55 114.47 3d5x h SER 85 Ca -0.21 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.43 3d5x h SER 85 Cb 2.00 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 64.40 3d5x h SER 85 CO 0.17 0.66 -0.60 0.74 -1.14 0.00 0.00 176.83 176.67 3d5x h THR 86 N 0.54 1.31 -0.42 -2.27 2.02 -1.34 -2.09 112.91 110.66 3d5x h THR 86 Ca 0.11 -1.83 0.03 0.00 0.77 0.00 0.00 66.41 65.49 3d5x h THR 86 Cb 0.44 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3d5x h THR 86 CO 0.02 0.57 0.21 -0.08 0.37 0.00 0.00 175.52 176.62 3d5x h GLU 87 N 0.40 0.41 -0.52 6.66 4.81 -1.34 -0.60 114.58 124.41 3d5x h GLU 87 Ca -0.03 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3d5x h GLU 87 Cb 1.22 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3d5x h GLU 87 CO 0.13 0.27 -0.05 0.82 -0.73 0.00 0.00 179.01 179.45 3d5x h ILE 88 N 0.43 1.27 -0.39 2.32 2.04 -0.99 -2.08 117.51 120.11 3d5x h ILE 88 Ca 0.18 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3d5x h ILE 88 Cb 0.08 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3d5x h ILE 88 CO -0.12 0.41 0.20 0.00 0.00 0.00 0.00 178.15 178.64 3d5x h ALA 89 N 0.93 0.50 -0.31 1.87 0.00 -1.09 0.06 119.26 121.21 3d5x h ALA 89 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3d5x h ALA 89 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3d5x h ALA 89 CO 0.04 0.04 0.04 0.82 0.00 0.00 0.00 179.25 180.19 3d5x h ILE 90 N 0.49 1.24 -0.20 0.00 2.04 -1.09 -3.11 117.51 116.88 3d5x h ILE 90 Ca 0.13 -0.84 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 3d5x h ILE 90 Cb 0.09 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3d5x h ILE 90 CO -0.02 0.27 -0.32 -0.74 0.00 0.00 0.00 178.15 177.35 3d5x h HIS 91 N 0.34 0.45 -0.69 1.37 2.76 -1.28 -2.87 115.15 115.23 3d5x h HIS 91 Ca 0.09 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3d5x h HIS 91 Cb 0.36 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 3d5x h HIS 91 CO 0.03 0.67 0.45 -0.22 -1.30 0.00 0.00 177.93 177.56 3d5x h LYS 92 N 0.34 0.81 0.00 5.26 3.64 -0.92 -2.35 116.57 123.36 3d5x h LYS 92 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3d5x h LYS 92 Cb 0.73 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3d5x h LYS 92 CO 0.06 0.53 -0.09 0.77 -2.27 0.00 0.00 179.45 178.45 3d5x h SER 93 N 0.83 0.00 -3.47 4.20 0.02 -1.45 -3.46 113.55 110.22 3d5x h SER 93 Ca 0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.69 3d5x h SER 93 Cb 0.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3d5x h SER 93 CO -0.08 0.09 0.17 -0.76 -1.14 0.00 0.00 176.83 175.11 3d5x s LEU 94 N -6.41 4.54 -0.27 5.07 1.02 -0.88 -5.05 118.68 116.70 3d5x s LEU 94 Ca 0.02 1.56 -0.01 0.00 0.02 0.00 0.00 54.13 55.72 3d5x s LEU 94 Cb 0.09 -3.26 0.15 0.00 0.02 0.00 0.00 46.19 43.19 3d5x s LEU 94 CO 0.59 0.14 0.41 -0.62 0.02 0.00 0.00 176.35 176.90 3d5x s ASP 95 N -0.72 0.10 -0.28 2.29 2.15 -1.26 -4.61 116.67 114.33 3d5x s ASP 95 Ca 0.37 0.07 -0.21 0.00 0.43 0.00 0.00 52.55 53.21 3d5x s ASP 95 Cb -0.22 1.23 0.09 0.00 -0.30 0.00 0.00 42.92 43.72 3d5x s ASP 95 CO 0.25 -0.32 0.79 0.21 -0.17 0.00 0.00 175.17 175.93 3d5x s ASN 96 N 2.58 -0.74 0.04 -0.34 3.84 -1.26 -5.04 114.94 114.02 3d5x s ASN 96 Ca 0.12 1.30 0.03 0.00 0.21 0.00 0.00 52.86 54.52 3d5x s ASN 96 Cb -0.14 1.32 0.14 0.00 -0.55 0.00 0.00 41.25 42.01 3d5x s ASN 96 CO -0.22 -0.22 1.04 -0.81 -2.79 0.00 0.00 177.10 174.11 3d5x n PRO 97 N 3.23 0.02 -0.12 0.43 -0.04 -1.26 -1.20 135.00 136.05 3d5x n PRO 97 Ca -0.16 0.48 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 3d5x n PRO 97 Cb 0.57 -1.60 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3d5x n PRO 97 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3d5x n HIS 98 N -1.56 0.27 -5.14 0.54 8.25 -1.26 -4.84 115.22 111.48 3d5x n HIS 98 Ca -0.00 -0.62 -0.29 0.00 -0.26 0.00 0.00 57.72 56.54 3d5x n HIS 98 Cb 0.05 -0.09 -0.16 0.00 1.12 0.00 0.00 29.99 30.91 3d5x n HIS 98 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d5x s VAL 99 N -1.51 1.83 -0.07 1.59 1.01 -0.34 -1.17 120.40 121.75 3d5x s VAL 99 Ca 0.18 -0.97 -0.34 0.00 0.00 0.00 0.00 61.98 60.85 3d5x s VAL 99 Cb 0.12 -1.54 -0.11 0.00 0.00 0.00 0.00 36.38 34.85 3d5x s VAL 99 CO 0.07 0.52 1.89 0.52 0.00 0.00 0.00 175.10 178.09 3d5x n VAL 100 N 2.72 0.59 -1.82 2.92 0.31 0.18 -4.58 118.33 118.66 3d5x n VAL 100 Ca -0.16 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 3d5x n VAL 100 Cb 0.52 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3d5x n VAL 100 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3d5x s GLY 101 N 4.05 1.44 -0.19 2.92 0.00 -1.26 -4.83 107.32 109.44 3d5x s GLY 101 Ca 0.92 1.34 -0.19 0.00 0.00 0.00 0.00 44.72 46.79 3d5x s GLY 101 CO 0.50 3.01 0.53 -0.12 0.00 0.00 0.00 173.10 177.02 3d5x s PHE 102 N 2.59 3.38 -0.12 1.90 5.36 -1.26 -0.35 117.98 129.49 3d5x s PHE 102 Ca 0.77 0.81 0.17 0.00 -0.96 0.00 0.00 56.93 57.72 3d5x s PHE 102 Cb -0.43 -2.68 0.26 0.00 -0.34 0.00 0.00 43.02 39.83 3d5x s PHE 102 CO 0.34 -0.10 1.14 0.72 -1.46 0.00 0.00 175.22 175.86 3d5x n HIS 103 N 4.75 0.00 0.00 10.12 8.25 -0.48 -4.99 115.22 132.88 3d5x n HIS 103 Ca -0.04 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 3d5x n HIS 103 Cb 0.50 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3d5x n HIS 103 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5x n GLY 104 N -1.29 3.16 3.15 -1.41 0.00 -1.23 -4.84 105.19 102.72 3d5x n GLY 104 Ca 0.14 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 3d5x n GLY 104 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d5x s PHE 105 N -2.51 0.81 -0.19 1.61 -0.12 -1.26 -0.41 117.98 115.91 3d5x s PHE 105 Ca 0.00 -0.97 -0.25 0.00 -0.05 0.00 0.00 56.93 55.66 3d5x s PHE 105 Cb 0.00 -0.49 0.07 0.00 -0.63 0.00 0.00 43.02 41.97 3d5x s PHE 105 CO 0.00 -0.22 0.67 -0.59 -0.05 0.00 0.00 175.22 175.03 3d5x s PHE 106 N -3.71 -0.71 0.72 3.49 -0.71 -0.05 -5.01 117.98 112.00 3d5x s PHE 106 Ca 0.11 1.59 -0.07 0.00 -1.04 0.00 0.00 56.93 57.53 3d5x s PHE 106 Cb 0.06 0.29 0.07 0.00 -1.21 0.00 0.00 43.02 42.23 3d5x s PHE 106 CO -0.06 -0.43 1.04 -1.21 -1.34 0.00 0.00 175.22 173.22 3d5x s GLU 107 N -0.11 2.10 0.27 1.99 2.02 -1.26 -0.59 118.70 123.12 3d5x s GLU 107 Ca -0.03 -0.26 -0.20 0.00 0.02 0.00 0.00 54.97 54.50 3d5x s GLU 107 Cb -0.03 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.07 3d5x s GLU 107 CO 0.03 -1.32 0.69 0.34 0.02 0.00 0.00 175.26 175.03 3d5x s ASP 108 N -4.54 -0.26 0.33 -0.19 -1.08 -0.25 -4.89 116.67 105.80 3d5x s ASP 108 Ca 0.61 -0.61 0.12 0.00 -0.52 0.00 0.00 52.55 52.15 3d5x s ASP 108 Cb -0.10 0.71 1.04 0.00 -1.46 0.00 0.00 42.92 43.10 3d5x s ASP 108 CO 0.45 -1.32 1.64 0.44 0.52 0.00 0.00 175.17 176.91 3d5x h ASP 109 N 2.02 0.33 0.00 -0.34 3.32 -2.00 -3.28 116.42 116.47 3d5x h ASP 109 Ca -0.20 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3d5x h ASP 109 Cb 1.25 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3d5x h ASP 109 CO 0.25 -0.20 -0.68 0.47 -1.72 0.00 0.00 179.24 177.36 3d5x n ASP 110 N -5.14 3.40 -4.23 6.45 8.00 -1.26 -4.99 116.55 118.78 3d5x n ASP 110 Ca 0.30 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 3d5x n ASP 110 Cb 0.96 0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 42.57 3d5x n ASP 110 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3d5x s PHE 111 N -1.42 1.29 -0.21 1.24 0.08 -1.24 -0.32 117.98 117.39 3d5x s PHE 111 Ca 0.00 -0.65 -0.04 0.00 0.12 0.00 0.00 56.93 56.35 3d5x s PHE 111 Cb 0.00 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 3d5x s PHE 111 CO 0.00 0.10 -0.02 0.08 -0.10 0.00 0.00 175.22 175.28 3d5x s VAL 112 N -2.68 3.65 -0.21 -0.44 1.01 0.09 -1.09 120.40 120.73 3d5x s VAL 112 Ca 0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3d5x s VAL 112 Cb -0.02 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3d5x s VAL 112 CO 0.02 0.42 0.01 -0.31 0.00 0.00 0.00 175.10 175.24 3d5x s TYR 113 N 1.24 3.06 -0.19 5.22 2.02 0.24 -1.86 117.35 127.08 3d5x s TYR 113 Ca 0.03 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3d5x s TYR 113 Cb -0.14 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.29 3d5x s TYR 113 CO -0.00 -0.25 -0.07 0.08 -1.57 0.00 0.00 175.55 173.74 3d5x s VAL 114 N 1.08 3.31 -0.25 0.71 1.01 0.14 -0.87 120.40 125.53 3d5x s VAL 114 Ca 0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3d5x s VAL 114 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3d5x s VAL 114 CO 0.02 0.46 0.40 -0.69 0.00 0.00 0.00 175.10 175.29 3d5x s VAL 115 N 1.07 5.17 0.21 2.92 1.01 0.46 -0.25 120.40 130.99 3d5x s VAL 115 Ca 0.01 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.70 3d5x s VAL 115 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3d5x s VAL 115 CO -0.01 0.18 -0.09 -0.76 0.00 0.00 0.00 175.10 174.41 3d5x s LEU 116 N 1.88 2.48 0.32 3.92 1.43 -0.57 -1.38 118.68 126.75 3d5x s LEU 116 Ca 0.17 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.89 3d5x s LEU 116 Cb -0.15 -0.51 -0.11 0.00 0.03 0.00 0.00 46.19 45.44 3d5x s LEU 116 CO 0.09 -0.30 1.57 1.21 0.23 0.00 0.00 176.35 179.15 3d5x n GLU 117 N -0.37 2.70 -3.13 1.70 2.13 0.53 -0.67 120.64 123.53 3d5x n GLU 117 Ca -0.08 0.96 -0.39 0.00 0.66 0.00 0.00 57.16 58.31 3d5x n GLU 117 Cb 0.62 -2.73 -0.05 0.00 0.27 0.00 0.00 31.44 29.55 3d5x n GLU 117 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3d5x s ILE 118 N -0.31 5.08 -0.40 6.31 2.07 -1.26 -4.49 121.20 128.20 3d5x s ILE 118 Ca 0.61 1.28 0.02 0.00 -1.41 0.00 0.00 60.65 61.14 3d5x s ILE 118 Cb -0.49 -3.97 0.11 0.00 0.13 0.00 0.00 42.46 38.25 3d5x s ILE 118 CO 0.53 0.25 0.15 0.00 -1.91 0.00 0.00 174.94 173.95 3d5x n ARG 120 N 4.17 0.17 -1.22 0.00 1.74 -1.22 -3.83 116.66 116.47 3d5x n ARG 120 Ca 0.03 0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 57.00 3d5x n ARG 120 Cb 0.40 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.48 3d5x n ARG 120 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5x n ARG 121 N -1.40 2.41 0.00 5.56 5.12 -0.58 -4.98 116.66 122.80 3d5x n ARG 121 Ca 0.09 -3.39 0.00 0.00 -1.93 0.00 0.00 57.85 52.62 3d5x n ARG 121 Cb 0.25 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 3d5x n ARG 121 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3d5x n ARG 122 N -1.01 0.00 -4.51 5.56 5.12 -1.25 -4.43 116.66 116.13 3d5x n ARG 122 Ca 0.45 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 56.06 3d5x n ARG 122 Cb 1.04 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 32.28 3d5x n ARG 122 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3d5x n SER 123 N -3.33 3.30 0.06 0.55 3.41 -1.26 -0.43 113.62 115.92 3d5x n SER 123 Ca 0.00 -3.12 0.09 0.00 -0.26 0.00 0.00 58.87 55.57 3d5x n SER 123 Cb 0.00 0.31 0.37 0.00 -0.26 0.00 0.00 64.21 64.63 3d5x n SER 123 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d5x n LEU 124 N 0.00 0.30 -0.03 1.04 4.32 -0.55 -2.71 117.00 119.38 3d5x n LEU 124 Ca -0.19 0.58 -0.17 0.00 -0.02 0.00 0.00 56.01 56.22 3d5x n LEU 124 Cb 0.62 -0.55 -0.08 0.00 -1.62 0.00 0.00 43.42 41.79 3d5x n LEU 124 CO 0.34 -0.44 0.32 0.25 -1.22 0.00 0.00 177.39 176.63 3d5x h LEU 125 N 0.00 0.77 -0.85 2.23 5.85 -1.77 -0.75 115.31 120.80 3d5x h LEU 125 Ca 0.00 -0.64 -0.11 0.00 0.84 0.00 0.00 57.88 57.97 3d5x h LEU 125 Cb 0.26 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3d5x h LEU 125 CO 0.00 1.28 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.66 3d5x h GLU 126 N 0.31 0.37 -0.17 1.25 3.07 -1.84 -0.82 114.58 116.76 3d5x h GLU 126 Ca -0.04 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 3d5x h GLU 126 Cb 1.27 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 3d5x h GLU 126 CO 0.13 0.71 -0.02 1.25 -1.40 0.00 0.00 179.01 179.68 3d5x h LEU 127 N 0.31 0.31 -0.42 1.33 6.46 -1.54 -2.95 115.31 118.80 3d5x h LEU 127 Ca 0.03 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 3d5x h LEU 127 Cb 0.83 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 3d5x h LEU 127 CO 0.07 0.57 0.22 -0.74 -0.62 0.00 0.00 178.44 177.94 3d5x h HIS 128 N 0.03 0.60 0.00 1.25 2.76 -0.92 0.13 115.15 118.99 3d5x h HIS 128 Ca 0.05 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3d5x h HIS 128 Cb 0.43 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3d5x h HIS 128 CO 0.04 0.47 -0.09 0.87 -1.30 0.00 0.00 177.93 177.92 3d5x h LYS 129 N 0.55 0.00 0.03 5.26 6.56 -1.21 0.36 116.57 128.12 3d5x h LYS 129 Ca 0.15 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.43 3d5x h LYS 129 Cb 0.08 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.70 3d5x h LYS 129 CO -0.02 0.09 -1.76 -2.13 -2.06 0.00 0.00 179.45 173.57 3d5x n ARG 130 N -4.11 0.66 -0.09 3.15 3.00 -0.99 -4.53 116.66 113.75 3d5x n ARG 130 Ca -0.03 0.29 -0.08 0.00 -0.00 0.00 0.00 57.85 58.04 3d5x n ARG 130 Cb 0.18 -1.78 -0.15 0.00 0.00 0.00 0.00 32.46 30.70 3d5x n ARG 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3d5x n ARG 131 N -3.15 0.86 0.00 -0.14 5.12 0.41 -4.96 116.66 114.79 3d5x n ARG 131 Ca -0.20 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 3d5x n ARG 131 Cb 1.05 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 3d5x n ARG 131 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3d5x n LYS 132 N -2.66 0.00 -1.66 5.56 4.76 0.12 -4.65 118.16 119.63 3d5x n LYS 132 Ca -0.29 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.69 3d5x n LYS 132 Cb 1.07 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 34.21 3d5x n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d5x n ALA 133 N 8.33 1.11 -2.01 7.82 0.00 -1.26 -4.72 120.51 129.78 3d5x n ALA 133 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 3d5x n ALA 133 Cb 0.00 -2.58 0.05 0.00 0.00 0.00 0.00 19.45 16.92 3d5x n ALA 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3d5x s VAL 134 N 4.71 2.86 0.62 0.00 -7.23 -0.08 -4.96 120.40 116.31 3d5x s VAL 134 Ca 0.94 -0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 60.66 3d5x s VAL 134 Cb -0.62 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 3d5x s VAL 134 CO 0.48 -0.16 1.10 0.42 -0.31 0.00 0.00 175.10 176.64 3d5x s THR 135 N -3.03 3.36 0.18 5.32 -4.23 -1.26 -4.70 115.64 111.28 3d5x s THR 135 Ca 0.57 0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 61.63 3d5x s THR 135 Cb -0.11 -3.21 0.08 0.00 1.34 0.00 0.00 72.50 70.61 3d5x s THR 135 CO 0.43 -0.35 1.75 -0.08 -0.54 0.00 0.00 174.62 175.83 3d5x h GLU 136 N 0.39 0.32 -0.49 3.99 4.81 -1.96 -1.82 114.58 119.81 3d5x h GLU 136 Ca -0.47 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 3d5x h GLU 136 Cb 1.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3d5x h GLU 136 CO 0.55 0.21 0.33 -1.35 -0.73 0.00 0.00 179.01 178.03 3d5x h PRO 137 N 0.33 0.37 -0.37 0.92 0.11 -1.94 -1.52 132.00 129.91 3d5x h PRO 137 Ca 0.23 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 3d5x h PRO 137 Cb 0.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3d5x h PRO 137 CO -0.24 0.25 -0.09 0.93 -0.21 0.00 0.00 178.00 178.64 3d5x h GLU 138 N 0.38 0.71 -0.46 1.05 5.08 -1.68 -2.00 114.58 117.67 3d5x h GLU 138 Ca 0.22 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3d5x h GLU 138 Cb 0.37 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3d5x h GLU 138 CO -0.05 0.86 0.24 0.00 -1.00 0.00 0.00 179.01 179.06 3d5x h ALA 139 N 0.83 0.58 -0.17 3.43 0.00 -0.90 -0.74 119.26 122.29 3d5x h ALA 139 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3d5x h ALA 139 Cb 0.60 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3d5x h ALA 139 CO 0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 179.25 179.02 3d5x h ARG 140 N 0.48 -0.18 0.02 0.00 3.08 -1.20 0.29 114.38 116.88 3d5x h ARG 140 Ca 0.19 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3d5x h ARG 140 Cb 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3d5x h ARG 140 CO -0.12 -0.12 -0.04 -0.92 -1.07 0.00 0.00 179.97 177.70 3d5x h TYR 141 N -0.19 -0.11 -0.38 3.04 3.20 -0.98 -1.28 116.97 120.26 3d5x h TYR 141 Ca 0.11 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3d5x h TYR 141 Cb 0.35 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3d5x h TYR 141 CO -0.30 -0.07 -0.13 0.74 -1.64 0.00 0.00 178.16 176.76 3d5x h PHE 142 N -0.09 0.87 -0.42 -3.82 0.04 -1.02 -2.94 116.94 109.57 3d5x h PHE 142 Ca 0.01 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 60.49 3d5x h PHE 142 Cb 0.10 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3d5x h PHE 142 CO -0.11 0.92 -0.10 0.52 -0.60 0.00 0.00 178.31 178.95 3d5x h MET 143 N 0.57 0.82 -0.20 1.51 2.86 -0.92 -2.35 114.93 117.21 3d5x h MET 143 Ca 0.09 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3d5x h MET 143 Cb 0.66 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3d5x h MET 143 CO 0.05 0.94 0.05 -0.09 1.06 0.00 0.00 176.91 178.91 3d5x h ARG 144 N 0.64 0.13 -0.45 1.72 2.43 -1.23 0.20 114.38 117.82 3d5x h ARG 144 Ca 0.11 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3d5x h ARG 144 Cb 0.63 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3d5x h ARG 144 CO 0.04 0.08 0.04 1.96 -1.51 0.00 0.00 179.97 180.59 3d5x h GLN 145 N 0.13 0.70 -0.18 0.20 4.20 -1.52 -0.86 115.11 117.79 3d5x h GLN 145 Ca 0.09 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3d5x h GLN 145 Cb 0.08 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3d5x h GLN 145 CO -0.11 0.69 -0.24 1.15 -0.67 0.00 0.00 178.83 179.65 3d5x h THR 146 N 0.67 1.34 -0.60 -0.54 2.02 -0.96 -2.36 112.91 112.49 3d5x h THR 146 Ca 0.14 -1.44 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 3d5x h THR 146 Cb 0.35 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3d5x h THR 146 CO 0.01 0.44 0.18 0.40 0.37 0.00 0.00 175.52 176.91 3d5x h ILE 147 N 0.12 1.25 -0.97 3.11 2.04 -0.48 0.61 117.51 123.19 3d5x h ILE 147 Ca 0.02 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.10 3d5x h ILE 147 Cb 0.80 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 3d5x h ILE 147 CO 0.06 0.32 0.63 1.56 0.00 0.00 0.00 178.15 180.72 3d5x h GLN 148 N 0.86 1.06 -0.40 2.37 4.20 -1.17 0.40 115.11 122.42 3d5x h GLN 148 Ca 0.19 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3d5x h GLN 148 Cb 0.31 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3d5x h GLN 148 CO -0.00 0.70 0.03 0.78 -0.67 0.00 0.00 178.83 179.67 3d5x h GLY 149 N 1.09 0.74 1.42 3.46 0.00 -0.82 -2.78 103.07 106.19 3d5x h GLY 149 Ca 0.43 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3d5x h GLY 149 CO -0.18 0.48 -0.40 -2.08 0.00 0.00 0.00 176.54 174.36 3d5x h VAL 150 N 0.53 1.29 -0.43 4.60 2.07 -0.14 -2.70 116.25 121.48 3d5x h VAL 150 Ca 0.12 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.10 3d5x h VAL 150 Cb 0.42 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3d5x h VAL 150 CO 0.01 0.50 0.21 -0.61 0.02 0.00 0.00 177.57 177.70 3d5x h GLN 151 N 0.52 0.41 -0.99 1.57 4.15 -0.23 0.12 115.11 120.66 3d5x h GLN 151 Ca 0.04 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.49 3d5x h GLN 151 Cb 0.92 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.46 3d5x h GLN 151 CO 0.08 0.27 0.65 -0.92 -1.93 0.00 0.00 178.83 176.98 3d5x h TYR 152 N 0.42 1.21 -0.31 3.99 3.20 -1.36 0.17 116.97 124.28 3d5x h TYR 152 Ca 0.19 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3d5x h TYR 152 Cb 0.11 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3d5x h TYR 152 CO -0.11 0.67 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.01 3d5x h LEU 153 N 1.23 0.55 -0.70 2.82 3.38 -1.07 -2.40 115.31 119.11 3d5x h LEU 153 Ca 0.41 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3d5x h LEU 153 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3d5x h LEU 153 CO -0.14 0.73 -0.49 0.45 0.09 0.00 0.00 178.44 179.07 3d5x h HIS 154 N 0.35 0.47 0.00 1.13 3.86 -0.56 0.46 115.15 120.86 3d5x h HIS 154 Ca 0.09 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 3d5x h HIS 154 Cb 0.45 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3d5x h HIS 154 CO 0.04 0.81 -0.22 -0.91 0.86 0.00 0.00 177.93 178.51 3d5x h ASN 155 N 0.31 0.00 -0.55 2.45 4.21 -0.66 -2.48 115.58 118.86 3d5x h ASN 155 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3d5x h ASN 155 Cb 0.98 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 3d5x h ASN 155 CO 0.08 0.22 0.00 0.59 -1.29 0.00 0.00 177.43 177.03 3d5x n ASN 156 N -3.94 5.24 -2.47 5.81 5.03 -0.91 -4.94 115.26 119.09 3d5x n ASN 156 Ca -0.02 -2.79 -0.21 0.00 0.87 0.00 0.00 54.58 52.44 3d5x n ASN 156 Cb 0.30 -0.66 -0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3d5x n ASN 156 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3d5x n ARG 157 N 0.66 -2.20 -4.43 3.52 5.12 -0.93 -4.95 116.66 113.45 3d5x n ARG 157 Ca 0.25 0.99 -0.34 0.00 -1.93 0.00 0.00 57.85 56.83 3d5x n ARG 157 Cb 1.08 -5.68 -0.14 0.00 -1.16 0.00 0.00 32.46 26.57 3d5x n ARG 157 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3d5x s VAL 158 N -3.06 3.36 -0.19 1.55 1.01 0.16 -1.18 120.40 122.05 3d5x s VAL 158 Ca 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3d5x s VAL 158 Cb -0.02 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3d5x s VAL 158 CO 0.06 0.49 0.00 -0.63 0.00 0.00 0.00 175.10 175.03 3d5x s ILE 159 N 0.67 4.08 0.01 2.22 1.01 -0.75 -3.30 121.20 125.13 3d5x s ILE 159 Ca -0.04 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3d5x s ILE 159 Cb -0.15 -2.83 -0.18 0.00 0.01 0.00 0.00 42.46 39.31 3d5x s ILE 159 CO 0.02 0.44 1.30 -0.74 0.00 0.00 0.00 174.94 175.96 3d5x h HIS 160 N 7.23 0.21 0.00 3.97 -0.00 -1.89 -1.94 115.15 122.72 3d5x h HIS 160 Ca -0.35 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3d5x h HIS 160 Cb 1.18 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 3d5x h HIS 160 CO 0.58 0.62 0.00 0.54 -0.00 0.00 0.00 177.93 179.67 3d5x n ARG 161 N -4.71 0.00 -2.67 5.26 1.74 -1.26 -3.27 116.66 111.75 3d5x n ARG 161 Ca -0.07 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.96 3d5x n ARG 161 Cb 0.31 -2.30 0.04 0.00 -1.02 0.00 0.00 32.46 29.49 3d5x n ARG 161 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3d5x n ASP 162 N 0.00 2.26 -4.67 0.55 2.03 -1.26 -4.93 116.55 110.52 3d5x n ASP 162 Ca 0.00 -2.38 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 3d5x n ASP 162 Cb 0.00 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 3d5x n ASP 162 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d5x s LEU 163 N -3.76 4.29 0.21 -2.67 1.43 -1.26 -4.87 118.68 112.05 3d5x s LEU 163 Ca 0.32 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 3d5x s LEU 163 Cb 0.34 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3d5x s LEU 163 CO -0.02 -0.80 0.54 -1.59 0.23 0.00 0.00 176.35 174.71 3d5x s LYS 164 N 3.15 1.44 0.34 1.70 -2.85 -1.26 -4.77 119.74 117.49 3d5x s LYS 164 Ca 0.65 -0.92 0.07 0.00 -1.00 0.00 0.00 55.97 54.77 3d5x s LYS 164 Cb -0.30 0.53 0.75 0.00 -2.06 0.00 0.00 37.83 36.75 3d5x s LYS 164 CO 0.25 -0.62 1.88 -0.07 0.10 0.00 0.00 175.35 176.89 3d5x h LEU 165 N 2.18 0.71 -1.02 2.77 3.38 -1.93 -0.33 115.31 121.07 3d5x h LEU 165 Ca -0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3d5x h LEU 165 Cb 1.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3d5x h LEU 165 CO 0.35 0.38 0.00 1.23 0.09 0.00 0.00 178.44 180.50 3d5x h GLY 166 N 0.77 0.00 0.20 0.83 0.00 -1.94 -2.35 103.07 100.57 3d5x h GLY 166 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3d5x h GLY 166 CO -0.20 0.00 -1.10 0.70 0.00 0.00 0.00 176.54 175.94 3d5x n ASN 167 N -2.47 0.74 -4.43 0.19 5.03 -0.15 -4.72 115.26 109.44 3d5x n ASN 167 Ca 0.01 -0.65 -0.44 0.00 0.87 0.00 0.00 54.58 54.37 3d5x n ASN 167 Cb 0.23 1.04 -0.01 0.00 -1.02 0.00 0.00 39.78 40.01 3d5x n ASN 167 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3d5x s LEU 168 N -3.38 5.41 0.60 3.41 1.43 -1.09 -2.13 118.68 122.94 3d5x s LEU 168 Ca 0.05 -2.72 -0.15 0.00 -1.03 0.00 0.00 54.13 50.28 3d5x s LEU 168 Cb 0.16 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3d5x s LEU 168 CO 0.85 -0.77 1.05 -0.36 0.23 0.00 0.00 176.35 177.34 3d5x s PHE 169 N 1.42 3.10 -0.04 0.29 0.08 -0.19 -1.49 117.98 121.15 3d5x s PHE 169 Ca 0.35 1.48 0.05 0.00 0.12 0.00 0.00 56.93 58.93 3d5x s PHE 169 Cb -0.05 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 3d5x s PHE 169 CO -0.05 -1.02 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.35 3d5x s LEU 170 N -4.69 1.97 0.00 -0.37 1.43 0.43 -0.27 118.68 117.18 3d5x s LEU 170 Ca 0.61 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3d5x s LEU 170 Cb -0.15 -1.08 0.10 0.00 0.03 0.00 0.00 46.19 45.10 3d5x s LEU 170 CO 0.41 0.19 0.80 -0.46 0.23 0.00 0.00 176.35 177.51 3d5x n ASN 171 N 3.02 1.67 0.01 2.29 0.23 -1.11 -1.52 115.26 119.85 3d5x n ASN 171 Ca -0.17 -2.27 0.14 0.00 -0.53 0.00 0.00 54.58 51.74 3d5x n ASN 171 Cb 0.53 -0.46 0.59 0.00 -2.08 0.00 0.00 39.78 38.35 3d5x n ASN 171 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3d5x h ASP 172 N -0.15 0.18 -0.06 0.53 3.32 -1.92 0.84 116.42 119.16 3d5x h ASP 172 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3d5x h ASP 172 Cb 1.13 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3d5x h ASP 172 CO 0.34 0.11 0.00 0.47 -1.72 0.00 0.00 179.24 178.44 3d5x n ASP 173 N -4.45 0.82 -1.16 6.45 10.43 -1.26 -4.85 116.55 122.53 3d5x n ASP 173 Ca 0.07 -1.45 -0.12 0.00 2.57 0.00 0.00 54.79 55.86 3d5x n ASP 173 Cb 0.39 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.29 3d5x n ASP 173 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3d5x n MET 174 N -0.29 -0.88 -2.90 -1.24 2.81 0.29 -4.69 117.12 110.22 3d5x n MET 174 Ca 0.17 0.70 -0.39 0.00 -1.81 0.00 0.00 57.70 56.37 3d5x n MET 174 Cb 0.21 -4.79 -0.06 0.00 -0.71 0.00 0.00 33.22 27.87 3d5x n MET 174 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3d5x s ASP 175 N -2.63 7.47 0.09 7.83 1.01 -1.26 -4.84 116.67 124.33 3d5x s ASP 175 Ca 0.00 1.75 -0.30 0.00 0.71 0.00 0.00 52.55 54.71 3d5x s ASP 175 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3d5x s ASP 175 CO 0.00 0.17 1.04 -0.69 0.21 0.00 0.00 175.17 175.90 3d5x s VAL 176 N -1.19 4.37 -0.17 -1.27 1.01 -1.26 -2.74 120.40 119.14 3d5x s VAL 176 Ca 0.38 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 3d5x s VAL 176 Cb -0.24 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.00 3d5x s VAL 176 CO 0.28 0.23 -0.03 -0.54 0.00 0.00 0.00 175.10 175.04 3d5x s LYS 177 N 0.36 1.21 0.10 2.72 -0.14 0.63 -4.45 119.74 120.17 3d5x s LYS 177 Ca 0.51 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 3d5x s LYS 177 Cb -0.25 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 33.85 3d5x s LYS 177 CO 0.30 -0.48 1.08 0.42 -0.76 0.00 0.00 175.35 175.91 3d5x s ILE 178 N 1.69 4.22 0.00 2.17 1.01 -0.31 -1.03 121.20 128.95 3d5x s ILE 178 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.40 3d5x s ILE 178 Cb -0.16 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 3d5x s ILE 178 CO -0.07 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3d5x n GLY 179 N 2.54 4.03 2.81 6.18 0.00 -0.91 -0.65 105.19 119.20 3d5x n GLY 179 Ca 0.05 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 3d5x n GLY 179 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5x n ASP 180 N -2.94 -7.97 -2.02 1.61 -0.08 -1.26 -4.90 116.55 98.99 3d5x n ASP 180 Ca 0.00 0.90 -0.08 0.00 -1.51 0.00 0.00 54.79 54.10 3d5x n ASP 180 Cb 0.00 -5.33 0.29 0.00 2.34 0.00 0.00 41.12 38.42 3d5x n ASP 180 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3d5x n PHE 181 N 0.12 2.52 0.27 -0.67 3.72 -1.26 -4.60 117.46 117.55 3d5x n PHE 181 Ca 0.07 -1.29 0.12 0.00 -0.05 0.00 0.00 57.45 56.29 3d5x n PHE 181 Cb 0.28 -0.72 0.55 0.00 -0.94 0.00 0.00 39.48 38.65 3d5x n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d5x n GLY 182 N -0.29 -1.05 0.13 1.37 0.00 -1.26 -1.66 105.19 102.42 3d5x n GLY 182 Ca 0.43 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.65 3d5x n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5x n LEU 183 N -2.27 1.56 -4.80 0.99 4.77 -1.26 -4.95 117.00 111.04 3d5x n LEU 183 Ca 0.00 -2.08 -0.35 0.00 -0.03 0.00 0.00 56.01 53.55 3d5x n LEU 183 Cb 0.12 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3d5x n LEU 183 CO 0.14 0.49 0.68 0.00 -1.33 0.00 0.00 177.39 177.37 3d5x s ALA 184 N -1.54 3.05 0.14 -1.18 0.00 -0.66 -4.55 121.76 117.02 3d5x s ALA 184 Ca 0.14 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.65 3d5x s ALA 184 Cb 0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3d5x s ALA 184 CO 0.01 -0.01 -0.06 -0.08 0.00 0.00 0.00 175.76 175.63 3d5x s THR 185 N -1.92 0.84 -0.16 0.00 -1.32 -0.73 -4.87 115.64 107.48 3d5x s THR 185 Ca 0.60 -1.99 -0.04 0.00 -1.21 0.00 0.00 61.69 59.05 3d5x s THR 185 Cb -0.15 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 3d5x s THR 185 CO 0.19 -0.71 -0.04 -0.54 -2.21 0.00 0.00 174.62 171.31 3d5x s LYS 186 N -3.83 3.65 -0.33 7.08 1.02 -1.26 -1.82 119.74 124.25 3d5x s LYS 186 Ca 0.17 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 3d5x s LYS 186 Cb 0.05 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3d5x s LYS 186 CO -0.00 0.23 1.23 0.42 -0.92 0.00 0.00 175.35 176.30 3d5x s ILE 187 N 0.40 4.23 0.01 2.17 1.01 -0.32 -4.91 121.20 123.79 3d5x s ILE 187 Ca -0.04 1.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 3d5x s ILE 187 Cb -0.14 -4.27 -0.27 0.00 0.01 0.00 0.00 42.46 37.79 3d5x s ILE 187 CO 0.03 -0.54 0.87 -0.33 0.00 0.00 0.00 174.94 174.97 3d5x h GLU 188 N 9.02 0.23 -4.57 2.79 4.39 -1.97 -3.47 114.58 120.99 3d5x h GLU 188 Ca -0.24 -0.39 -0.22 0.00 0.34 0.00 0.00 59.36 58.85 3d5x h GLU 188 Cb 1.08 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.73 3d5x h GLU 188 CO 1.04 1.08 -0.66 -0.59 -1.16 0.00 0.00 179.01 178.73 3d5x s PHE 189 N -2.62 0.97 0.24 4.33 -0.12 -1.26 -5.13 117.98 114.38 3d5x s PHE 189 Ca -0.08 -1.11 -0.30 0.00 -0.05 0.00 0.00 56.93 55.38 3d5x s PHE 189 Cb 0.07 -0.56 -0.10 0.00 -0.63 0.00 0.00 43.02 41.80 3d5x s PHE 189 CO 0.85 -0.36 1.48 -0.51 -0.05 0.00 0.00 175.22 176.63 3d5x s ASP 190 N -3.08 6.61 -0.69 1.98 1.01 -1.26 -2.77 116.67 118.46 3d5x s ASP 190 Ca 0.21 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.16 3d5x s ASP 190 Cb 0.07 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3d5x s ASP 190 CO 0.01 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.25 3d5x n GLY 191 N 2.49 0.83 3.71 0.21 0.00 -1.26 -4.97 105.19 106.19 3d5x n GLY 191 Ca 0.08 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3d5x n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d5x s GLU 192 N -2.17 4.26 -0.10 1.61 2.12 -1.11 -5.02 118.70 118.30 3d5x s GLU 192 Ca 0.00 2.18 -0.01 0.00 0.36 0.00 0.00 54.97 57.49 3d5x s GLU 192 Cb 0.00 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 3d5x s GLU 192 CO 0.00 -0.57 -0.03 1.03 -0.54 0.00 0.00 175.26 175.15 3d5x s ARG 193 N 1.68 3.06 -0.03 4.30 1.81 -1.26 -4.61 118.95 123.89 3d5x s ARG 193 Ca 0.68 -0.48 -0.01 0.00 -1.72 0.00 0.00 55.73 54.19 3d5x s ARG 193 Cb -0.38 -2.75 -0.04 0.00 -0.45 0.00 0.00 34.95 31.33 3d5x s ARG 193 CO 0.30 0.59 0.07 0.15 -0.68 0.00 0.00 175.30 175.73 3d5x s LYS 194 N -0.59 3.09 -0.01 3.54 -0.14 0.05 -4.77 119.74 120.92 3d5x s LYS 194 Ca 0.09 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.29 3d5x s LYS 194 Cb -0.12 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.12 3d5x s LYS 194 CO 0.02 0.67 0.02 0.36 -0.76 0.00 0.00 175.35 175.67 3d5x n LYS 195 N 1.47 1.75 -3.01 1.68 2.85 -1.26 -2.29 118.16 119.35 3d5x n LYS 195 Ca -0.15 -0.01 -0.43 0.00 -1.05 0.00 0.00 58.31 56.67 3d5x n LYS 195 Cb 0.53 -1.04 0.01 0.00 -0.65 0.00 0.00 35.03 33.88 3d5x n LYS 195 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3d5x n ASP 196 N -1.79 6.28 -3.64 -5.58 8.00 -1.26 -5.00 116.55 113.56 3d5x n ASP 196 Ca -0.01 -3.36 -0.06 0.00 0.71 0.00 0.00 54.79 52.07 3d5x n ASP 196 Cb 0.28 -1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.02 3d5x n ASP 196 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3d5x s ILE 204 N -2.48 -0.07 0.56 0.53 2.07 -1.26 -5.13 121.20 115.42 3d5x s ILE 204 Ca 0.31 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.40 3d5x s ILE 204 Cb 0.03 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.57 3d5x s ILE 204 CO 0.08 0.00 1.02 0.00 -1.91 0.00 0.00 174.94 174.13 3d5x s ALA 205 N 1.69 2.94 0.45 1.50 0.00 -1.26 -4.96 121.76 122.12 3d5x s ALA 205 Ca -0.10 0.23 0.15 0.00 0.00 0.00 0.00 51.96 52.25 3d5x s ALA 205 Cb -0.05 -3.16 1.08 0.00 0.00 0.00 0.00 23.12 20.99 3d5x s ALA 205 CO -0.19 -0.50 1.99 -1.35 0.00 0.00 0.00 175.76 175.71 3d5x h PRO 206 N 0.61 0.34 -0.50 0.00 0.11 -1.94 -2.36 132.00 128.25 3d5x h PRO 206 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3d5x h PRO 206 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3d5x h PRO 206 CO 0.60 0.22 0.29 0.93 -0.21 0.00 0.00 178.00 179.83 3d5x h GLU 207 N 0.35 0.67 0.16 1.05 3.07 -1.93 -1.05 114.58 116.89 3d5x h GLU 207 Ca 0.25 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 58.76 3d5x h GLU 207 Cb 0.54 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3d5x h GLU 207 CO -0.06 0.49 -1.30 0.28 -1.40 0.00 0.00 179.01 177.02 3d5x h VAL 208 N 0.69 1.36 -0.17 3.13 2.07 -1.74 -2.60 116.25 118.99 3d5x h VAL 208 Ca 0.18 -2.72 -0.14 0.00 0.82 0.00 0.00 66.70 64.83 3d5x h VAL 208 Cb -0.00 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3d5x h VAL 208 CO -0.03 0.81 -0.49 -0.07 0.02 0.00 0.00 177.57 177.81 3d5x h LEU 209 N 0.17 0.48 -0.15 2.57 3.38 -1.35 -2.92 115.31 117.49 3d5x h LEU 209 Ca -0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3d5x h LEU 209 Cb 1.99 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3d5x h LEU 209 CO 0.23 0.90 -0.20 0.00 0.09 0.00 0.00 178.44 179.47 3d5x n LYS 211 N -1.18 -1.42 0.23 0.00 4.76 -1.05 -4.87 118.16 114.63 3d5x n LYS 211 Ca 0.10 1.20 0.13 0.00 -2.87 0.00 0.00 58.31 56.88 3d5x n LYS 211 Cb 0.31 -5.57 0.34 0.00 -1.84 0.00 0.00 35.03 28.26 3d5x n LYS 211 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3d5x h LYS 212 N 0.00 0.00 0.00 1.97 6.56 -1.77 -3.48 116.57 119.85 3d5x h LYS 212 Ca -0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.17 3d5x h LYS 212 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 3d5x h LYS 212 CO 0.61 0.04 0.00 0.41 -2.06 0.00 0.00 179.45 178.44 3d5x n GLY 213 N 0.73 3.16 3.30 3.86 0.00 -1.24 -5.02 105.19 109.98 3d5x n GLY 213 Ca 0.03 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 3d5x n GLY 213 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3d5x s HIS 214 N -1.39 -0.15 0.00 1.61 -3.43 -0.97 -4.81 115.29 106.15 3d5x s HIS 214 Ca 0.00 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 3d5x s HIS 214 Cb 0.00 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 3d5x s HIS 214 CO 0.00 -0.67 0.00 -1.13 -2.00 0.00 0.00 174.74 170.94 3d5x n SER 215 N -0.18 0.00 0.15 7.38 3.41 -1.26 -0.77 113.62 122.35 3d5x n SER 215 Ca -0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.48 3d5x n SER 215 Cb 0.63 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.01 3d5x n SER 215 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3d5x h PHE 216 N 0.00 0.18 0.00 7.33 -1.00 -1.98 -3.24 116.94 118.24 3d5x h PHE 216 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3d5x h PHE 216 Cb 0.00 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.51 3d5x h PHE 216 CO 0.00 0.31 0.00 -0.85 -1.61 0.00 0.00 178.31 176.16 3d5x n GLU 217 N -4.29 0.52 0.13 1.51 0.00 -1.26 -2.23 120.64 115.01 3d5x n GLU 217 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 57.16 57.17 3d5x n GLU 217 Cb 0.26 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.30 3d5x n GLU 217 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 3d5x h VAL 218 N 0.00 1.33 -0.12 3.84 -1.51 -1.96 -2.94 116.25 114.89 3d5x h VAL 218 Ca 0.00 -2.39 -0.15 0.00 -1.23 0.00 0.00 66.70 62.93 3d5x h VAL 218 Cb 0.04 2.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3d5x h VAL 218 CO 0.00 0.65 -0.57 0.44 -1.23 0.00 0.00 177.57 176.86 3d5x h ASP 219 N 0.00 0.41 -0.49 4.19 5.19 -1.71 -2.55 116.42 121.45 3d5x h ASP 219 Ca -0.01 -0.22 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 3d5x h ASP 219 Cb 1.29 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 3d5x h ASP 219 CO 0.09 0.89 -0.02 0.40 -3.12 0.00 0.00 179.24 177.48 3d5x h ILE 220 N 0.28 1.27 0.06 0.35 1.08 -1.68 -1.18 117.51 117.68 3d5x h ILE 220 Ca -0.00 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.37 3d5x h ILE 220 Cb 1.09 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 3d5x h ILE 220 CO 0.10 0.39 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.55 3d5x h TRP 221 N 0.75 -0.39 -0.85 1.37 2.91 -1.46 -0.88 115.95 117.40 3d5x h TRP 221 Ca 0.14 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.23 3d5x h TRP 221 Cb 0.55 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.30 3d5x h TRP 221 CO 0.04 -0.22 0.52 0.77 -1.03 0.00 0.00 178.44 178.51 3d5x h SER 222 N -0.28 0.80 -0.42 2.65 0.02 -1.35 -1.28 113.55 113.69 3d5x h SER 222 Ca 0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3d5x h SER 222 Cb 0.31 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3d5x h SER 222 CO -0.11 0.51 0.19 -0.07 -1.14 0.00 0.00 176.83 176.22 3d5x h LEU 223 N 0.94 0.60 -0.68 5.07 3.38 -0.82 -1.22 115.31 122.58 3d5x h LEU 223 Ca 0.37 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3d5x h LEU 223 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3d5x h LEU 223 CO -0.18 0.54 0.14 1.23 0.09 0.00 0.00 178.44 180.26 3d5x h GLY 224 N 0.80 1.19 0.98 0.83 0.00 -0.05 -1.01 103.07 105.82 3d5x h GLY 224 Ca 0.16 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3d5x h GLY 224 CO -0.02 0.71 0.27 0.00 0.00 0.00 0.00 176.54 177.51 3d5x h ILE 226 N 0.75 1.11 -0.79 0.00 2.04 -1.05 -0.18 117.51 119.39 3d5x h ILE 226 Ca 0.19 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3d5x h ILE 226 Cb 0.11 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3d5x h ILE 226 CO -0.02 0.09 0.43 0.25 0.00 0.00 0.00 178.15 178.90 3d5x h LEU 227 N 0.01 0.98 0.11 1.44 5.85 -1.13 -0.44 115.31 122.13 3d5x h LEU 227 Ca 0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3d5x h LEU 227 Cb 0.12 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3d5x h LEU 227 CO -0.00 0.79 -0.05 0.22 -0.34 0.00 0.00 178.44 179.05 3d5x h TYR 228 N 1.10 -0.14 -0.63 1.25 3.20 -1.10 -2.53 116.97 118.13 3d5x h TYR 228 Ca 0.28 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3d5x h TYR 228 Cb 0.03 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3d5x h TYR 228 CO 0.01 -0.03 0.31 1.15 -1.64 0.00 0.00 178.16 177.96 3d5x h THR 229 N -0.22 1.20 -0.22 1.81 2.02 -0.53 0.40 112.91 117.37 3d5x h THR 229 Ca -0.02 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 3d5x h THR 229 Cb 0.18 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3d5x h THR 229 CO 0.03 0.23 -0.05 -0.07 0.37 0.00 0.00 175.52 176.03 3d5x h LEU 230 N 0.88 0.43 0.00 2.58 3.38 -1.05 -0.87 115.31 120.66 3d5x h LEU 230 Ca 0.22 -0.36 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 3d5x h LEU 230 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3d5x h LEU 230 CO -0.03 0.69 -1.05 -0.07 0.09 0.00 0.00 178.44 178.07 3d5x h LEU 231 N 0.16 0.12 0.06 1.67 3.38 -1.19 -0.19 115.31 119.32 3d5x h LEU 231 Ca 0.06 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.58 3d5x h LEU 231 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3d5x h LEU 231 CO 0.02 1.08 -1.83 0.52 0.09 0.00 0.00 178.44 178.33 3d5x n VAL 232 N -3.42 1.65 0.00 1.22 0.31 0.11 -4.60 118.33 113.60 3d5x n VAL 232 Ca -0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3d5x n VAL 232 Cb 0.95 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3d5x n VAL 232 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d5x n GLY 233 N 1.75 1.47 2.99 2.92 0.00 -0.33 -4.34 105.19 109.66 3d5x n GLY 233 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3d5x n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d5x s LYS 234 N -0.36 0.31 0.52 1.61 -2.85 -1.25 -4.61 119.74 113.11 3d5x s LYS 234 Ca 0.00 -0.56 -0.23 0.00 -1.00 0.00 0.00 55.97 54.18 3d5x s LYS 234 Cb 0.00 0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.82 3d5x s LYS 234 CO 0.00 -0.05 1.37 -2.14 0.10 0.00 0.00 175.35 174.63 3d5x s PRO 235 N -1.39 3.31 0.53 1.78 0.02 -1.26 -4.14 135.00 133.85 3d5x s PRO 235 Ca -0.15 2.28 0.31 0.00 0.02 0.00 0.00 61.00 63.46 3d5x s PRO 235 Cb -0.09 -2.37 1.39 0.00 0.02 0.00 0.00 34.50 33.44 3d5x s PRO 235 CO -0.01 -1.07 2.00 -1.00 -0.33 0.00 0.00 177.00 176.60 3d5x h PRO 236 N 1.71 0.00 0.00 5.54 0.13 -1.93 -3.20 132.00 134.26 3d5x h PRO 236 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3d5x h PRO 236 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3d5x h PRO 236 CO 0.58 0.08 0.00 1.19 -0.23 0.00 0.00 178.00 179.62 3d5x n PHE 237 N -3.27 0.00 -2.18 1.56 3.72 -1.26 -4.64 117.46 111.39 3d5x n PHE 237 Ca -0.00 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 3d5x n PHE 237 Cb 0.30 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3d5x n PHE 237 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3d5x s GLU 238 N -0.77 4.34 0.13 -1.08 2.12 -1.21 -4.55 118.70 117.68 3d5x s GLU 238 Ca 0.00 2.08 -0.06 0.00 0.36 0.00 0.00 54.97 57.35 3d5x s GLU 238 Cb 0.00 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3d5x s GLU 238 CO 0.00 -0.38 0.16 0.99 -0.54 0.00 0.00 175.26 175.50 3d5x s THR 239 N 0.73 0.11 0.40 -1.70 2.01 -1.26 -5.03 115.64 110.89 3d5x s THR 239 Ca 0.62 -1.56 0.27 0.00 0.31 0.00 0.00 61.69 61.33 3d5x s THR 239 Cb -0.37 -1.78 0.29 0.00 0.01 0.00 0.00 72.50 70.65 3d5x s THR 239 CO 0.33 -0.48 2.06 0.77 -0.69 0.00 0.00 174.62 176.61 3d5x h SER 240 N 2.74 0.00 -3.01 3.53 4.64 -2.01 -3.43 113.55 116.01 3d5x h SER 240 Ca -0.33 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.34 3d5x h SER 240 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 3d5x h SER 240 CO 0.55 0.12 -0.53 0.00 -0.87 0.00 0.00 176.83 176.10 3d5x h LEU 242 N 5.66 0.46 -0.59 0.00 6.46 -2.01 -2.93 115.31 122.37 3d5x h LEU 242 Ca -0.48 -0.33 -0.11 0.00 -0.12 0.00 0.00 57.88 56.84 3d5x h LEU 242 Cb 1.20 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 3d5x h LEU 242 CO 0.63 1.10 -0.10 0.11 -0.62 0.00 0.00 178.44 179.56 3d5x h LYS 243 N 0.23 1.02 -0.18 1.25 1.57 -1.97 -2.84 116.57 115.65 3d5x h LYS 243 Ca -0.05 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 3d5x h LYS 243 Cb 1.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 3d5x h LYS 243 CO 0.14 1.05 -0.29 1.49 -0.57 0.00 0.00 179.45 181.28 3d5x h GLU 244 N 0.91 0.34 -0.27 3.15 4.57 -1.97 -2.64 114.58 118.67 3d5x h GLU 244 Ca 0.14 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3d5x h GLU 244 Cb 0.66 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 3d5x h GLU 244 CO 0.05 0.60 0.11 1.15 -1.18 0.00 0.00 179.01 179.74 3d5x h THR 245 N 0.30 1.17 -0.46 0.32 2.02 -1.38 -2.66 112.91 112.22 3d5x h THR 245 Ca 0.04 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 3d5x h THR 245 Cb 0.66 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3d5x h THR 245 CO 0.05 0.18 0.03 1.88 0.37 0.00 0.00 175.52 178.03 3d5x h TYR 246 N 0.28 0.77 -0.50 3.16 0.99 -1.37 -2.55 116.97 117.76 3d5x h TYR 246 Ca 0.09 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 3d5x h TYR 246 Cb 0.18 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.67 3d5x h TYR 246 CO -0.01 0.71 0.18 0.82 -0.00 0.00 0.00 178.16 179.86 3d5x h ILE 247 N 0.70 1.22 -0.54 -2.88 2.04 -1.40 -1.64 117.51 115.01 3d5x h ILE 247 Ca 0.14 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3d5x h ILE 247 Cb 0.38 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3d5x h ILE 247 CO 0.01 0.26 0.16 0.03 0.00 0.00 0.00 178.15 178.61 3d5x h ARG 248 N 0.67 0.80 -0.10 2.37 3.08 -1.26 -1.40 114.38 118.54 3d5x h ARG 248 Ca 0.16 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3d5x h ARG 248 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3d5x h ARG 248 CO -0.01 0.71 0.00 0.82 -1.07 0.00 0.00 179.97 180.42 3d5x h ILE 249 N 0.78 1.24 -0.63 2.04 2.04 -1.28 0.72 117.51 122.42 3d5x h ILE 249 Ca 0.18 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3d5x h ILE 249 Cb 0.25 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3d5x h ILE 249 CO -0.01 0.22 0.30 0.11 0.00 0.00 0.00 178.15 178.77 3d5x h LYS 250 N -0.10 0.52 -0.18 2.37 6.56 -1.03 -2.19 116.57 122.52 3d5x h LYS 250 Ca 0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3d5x h LYS 250 Cb 0.33 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 3d5x h LYS 250 CO 0.00 0.35 0.00 1.63 -2.06 0.00 0.00 179.45 179.37 3d5x n LYS 251 N -4.89 1.85 -3.68 3.15 4.01 -0.55 -4.94 118.16 113.10 3d5x n LYS 251 Ca 0.09 -1.28 -0.25 0.00 -0.51 0.00 0.00 58.31 56.36 3d5x n LYS 251 Cb 0.23 -1.42 0.06 0.00 -0.51 0.00 0.00 35.03 33.39 3d5x n LYS 251 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3d5x n ASN 252 N 0.51 -5.18 -4.41 4.39 2.85 -0.15 -4.94 115.26 108.33 3d5x n ASN 252 Ca 0.17 -0.64 -0.44 0.00 -0.11 0.00 0.00 54.58 53.56 3d5x n ASN 252 Cb 0.38 -4.65 -0.04 0.00 1.24 0.00 0.00 39.78 36.71 3d5x n ASN 252 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3d5x s GLU 253 N -6.29 3.20 0.09 1.20 2.02 0.23 -4.98 118.70 114.17 3d5x s GLU 253 Ca 0.52 -1.34 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 3d5x s GLU 253 Cb -0.24 -4.38 0.00 0.00 0.10 0.00 0.00 34.13 29.61 3d5x s GLU 253 CO 0.76 -1.65 0.21 1.52 0.02 0.00 0.00 175.26 176.13 3d5x s TYR 254 N 2.91 0.12 -0.17 1.61 1.13 -1.26 -4.75 117.35 116.94 3d5x s TYR 254 Ca 0.19 -0.54 -0.03 0.00 -1.41 0.00 0.00 57.07 55.27 3d5x s TYR 254 Cb -0.18 -0.03 0.06 0.00 -1.10 0.00 0.00 41.96 40.71 3d5x s TYR 254 CO 0.04 -0.56 0.05 0.45 -2.51 0.00 0.00 175.55 173.02 3d5x s SER 255 N -2.86 2.53 -0.20 -0.18 0.15 -1.26 -5.10 113.70 106.77 3d5x s SER 255 Ca 0.05 -0.65 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 3d5x s SER 255 Cb 0.05 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 3d5x s SER 255 CO -0.11 -0.31 1.40 -0.69 1.20 0.00 0.00 173.24 174.72 3d5x s VAL 256 N 1.98 4.03 0.83 4.45 1.01 -1.26 -4.99 120.40 126.45 3d5x s VAL 256 Ca 0.01 1.21 -0.13 0.00 0.00 0.00 0.00 61.98 63.06 3d5x s VAL 256 Cb -0.16 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.37 3d5x s VAL 256 CO -0.08 -0.26 1.00 -2.65 0.00 0.00 0.00 175.10 173.11 3d5x n PRO 257 N 7.11 0.06 0.25 2.72 -0.02 -1.26 -4.89 135.00 138.97 3d5x n PRO 257 Ca 0.16 0.09 0.17 0.00 -2.02 0.00 0.00 63.50 61.89 3d5x n PRO 257 Cb 0.45 -2.27 0.74 0.00 -0.02 0.00 0.00 33.50 32.40 3d5x n PRO 257 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3d5x h ARG 258 N -1.03 0.00 0.00 -0.52 -0.00 -2.03 -2.94 114.38 107.85 3d5x h ARG 258 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.50 3d5x h ARG 258 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.27 3d5x h ARG 258 CO 0.43 0.00 -0.10 0.45 -0.00 0.00 0.00 179.97 180.75 3d5x h HIS 259 N 0.00 0.00 -3.46 4.08 3.86 -2.03 -3.45 115.15 114.15 3d5x h HIS 259 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3d5x h HIS 259 Cb 0.33 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.82 3d5x h HIS 259 CO 0.00 0.10 0.56 0.42 0.86 0.00 0.00 177.93 179.87 3d5x s ILE 260 N -3.45 3.56 -0.11 2.45 -1.09 -1.11 -4.96 121.20 116.49 3d5x s ILE 260 Ca 0.03 1.30 -0.38 0.00 -2.23 0.00 0.00 60.65 59.38 3d5x s ILE 260 Cb 0.08 -3.83 -0.15 0.00 -1.58 0.00 0.00 42.46 36.98 3d5x s ILE 260 CO 0.62 0.20 1.66 -3.20 -1.23 0.00 0.00 174.94 172.99 3d5x n ASN 261 N 2.57 2.48 -0.33 3.58 5.15 -1.26 -4.76 115.26 122.68 3d5x n ASN 261 Ca 0.05 1.07 0.22 0.00 -0.60 0.00 0.00 54.58 55.31 3d5x n ASN 261 Cb 0.45 -1.22 0.45 0.00 -0.53 0.00 0.00 39.78 38.92 3d5x n ASN 261 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3d5x h PRO 262 N 6.82 0.36 -0.68 1.20 0.13 -1.93 0.13 132.00 138.03 3d5x h PRO 262 Ca -0.47 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3d5x h PRO 262 Cb 1.31 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3d5x h PRO 262 CO 0.91 0.24 0.41 0.28 -0.23 0.00 0.00 178.00 179.60 3d5x h VAL 263 N 0.37 1.20 -0.11 1.56 2.07 -2.00 0.18 116.25 119.52 3d5x h VAL 263 Ca 0.71 -0.45 -0.19 0.00 0.82 0.00 0.00 66.70 67.59 3d5x h VAL 263 Cb 1.56 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3d5x h VAL 263 CO -0.58 0.21 -0.71 0.00 0.02 0.00 0.00 177.57 176.51 3d5x h ALA 264 N 1.21 0.57 -0.72 1.67 0.00 -1.41 -3.00 119.26 117.58 3d5x h ALA 264 Ca 0.24 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3d5x h ALA 264 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3d5x h ALA 264 CO -0.04 0.74 0.29 1.03 0.00 0.00 0.00 179.25 181.26 3d5x h SER 265 N 0.34 1.00 -0.67 0.00 0.87 -0.40 -1.87 113.55 112.81 3d5x h SER 265 Ca -0.03 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3d5x h SER 265 Cb 1.29 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 3d5x h SER 265 CO 0.13 0.90 0.26 0.00 -0.53 0.00 0.00 176.83 177.59 3d5x h ALA 266 N 1.14 0.87 -0.39 6.23 0.00 -0.67 -2.49 119.26 123.94 3d5x h ALA 266 Ca 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3d5x h ALA 266 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3d5x h ALA 266 CO -0.02 0.49 -0.05 1.25 0.00 0.00 0.00 179.25 180.93 3d5x h LEU 267 N 0.95 0.72 -0.35 0.00 5.85 -1.36 -2.74 115.31 118.37 3d5x h LEU 267 Ca 0.22 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3d5x h LEU 267 Cb 0.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3d5x h LEU 267 CO -0.02 0.89 0.20 0.40 -0.34 0.00 0.00 178.44 179.57 3d5x h ILE 268 N 0.54 1.04 -0.28 4.05 2.04 -1.26 -0.59 117.51 123.04 3d5x h ILE 268 Ca 0.11 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3d5x h ILE 268 Cb 0.54 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3d5x h ILE 268 CO 0.03 0.08 0.08 0.03 0.00 0.00 0.00 178.15 178.36 3d5x h ARG 269 N 0.42 0.41 0.05 2.37 3.08 -1.40 0.05 114.38 119.35 3d5x h ARG 269 Ca 0.14 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 3d5x h ARG 269 Cb 0.00 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.00 3d5x h ARG 269 CO -0.07 0.37 -1.12 0.00 -1.07 0.00 0.00 179.97 178.09 3d5x h ARG 270 N 0.40 0.68 -0.41 0.04 3.08 -1.18 -2.95 114.38 114.04 3d5x h ARG 270 Ca 0.10 -0.79 -0.06 0.00 0.07 0.00 0.00 59.98 59.30 3d5x h ARG 270 Cb 0.15 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3d5x h ARG 270 CO -0.00 1.35 0.02 0.52 -1.07 0.00 0.00 179.97 180.79 3d5x h MET 271 N 0.35 0.65 -0.91 0.04 2.86 -0.70 -2.92 114.93 114.30 3d5x h MET 271 Ca -0.15 -0.15 -0.52 0.00 -2.06 0.00 0.00 59.70 56.82 3d5x h MET 271 Cb 1.78 -0.09 -0.28 0.00 0.06 0.00 0.00 31.60 33.07 3d5x h MET 271 CO 0.22 0.66 0.56 1.28 1.06 0.00 0.00 176.91 180.69 3d5x n LEU 272 N -4.26 6.60 -4.77 1.22 4.77 -0.03 -3.83 117.00 116.70 3d5x n LEU 272 Ca 0.02 -3.87 -0.40 0.00 -0.03 0.00 0.00 56.01 51.73 3d5x n LEU 272 Cb 0.26 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 3d5x n LEU 272 CO 0.40 1.24 0.93 -2.28 -1.33 0.00 0.00 177.39 176.35 3d5x s HIS 273 N -3.45 3.06 0.36 -1.77 2.46 -1.10 -4.92 115.29 109.93 3d5x s HIS 273 Ca 0.57 1.46 0.04 0.00 0.47 0.00 0.00 55.06 57.60 3d5x s HIS 273 Cb 0.48 -3.60 0.69 0.00 -0.13 0.00 0.00 32.58 30.02 3d5x s HIS 273 CO 0.06 -1.69 2.01 0.00 -2.47 0.00 0.00 174.74 172.65 3d5x h ALA 274 N 3.18 1.57 -2.31 1.58 0.00 -1.92 -3.39 119.26 117.97 3d5x h ALA 274 Ca -0.49 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 3d5x h ALA 274 Cb 1.23 -0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 3d5x h ALA 274 CO 0.65 0.38 0.18 0.34 0.00 0.00 0.00 179.25 180.80 3d5x s ASP 275 N -6.56 6.46 0.59 0.00 2.15 -1.26 -4.95 116.67 113.10 3d5x s ASP 275 Ca -0.09 0.24 0.30 0.00 0.43 0.00 0.00 52.55 53.42 3d5x s ASP 275 Cb 0.17 -2.34 1.76 0.00 -0.30 0.00 0.00 42.92 42.21 3d5x s ASP 275 CO 0.76 -0.59 2.18 -0.65 -0.17 0.00 0.00 175.17 176.69 3d5x h PRO 276 N 8.41 0.00 0.00 4.34 0.11 -1.97 -1.50 132.00 141.39 3d5x h PRO 276 Ca -0.26 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 3d5x h PRO 276 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3d5x h PRO 276 CO 0.84 0.00 -0.78 1.15 -0.21 0.00 0.00 178.00 179.00 3d5x h THR 277 N 0.00 1.41 -0.00 -1.15 2.02 -1.94 -3.23 112.91 110.02 3d5x h THR 277 Ca 0.04 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.41 3d5x h THR 277 Cb 0.26 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 3d5x h THR 277 CO -0.00 0.77 -0.18 0.18 0.37 0.00 0.00 175.52 176.65 3d5x n LEU 278 N -3.40 0.46 -4.77 2.58 4.77 -0.57 -4.85 117.00 111.22 3d5x n LEU 278 Ca 0.00 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.66 3d5x n LEU 278 Cb 0.81 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3d5x n LEU 278 CO 0.44 0.09 0.81 -0.13 -1.33 0.00 0.00 177.39 177.27 3d5x s ARG 279 N -2.67 4.27 0.50 3.23 0.52 -1.18 -4.92 118.95 118.70 3d5x s ARG 279 Ca 0.22 1.78 -0.22 0.00 -0.52 0.00 0.00 55.73 56.99 3d5x s ARG 279 Cb 0.19 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.78 3d5x s ARG 279 CO 0.53 -0.11 1.21 -2.14 0.02 0.00 0.00 175.30 174.81 3d5x s PRO 280 N -2.06 3.51 0.77 3.54 0.02 -1.26 -5.02 135.00 134.50 3d5x s PRO 280 Ca 0.53 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 3d5x s PRO 280 Cb -0.30 -2.30 0.05 0.00 0.02 0.00 0.00 34.50 31.97 3d5x s PRO 280 CO 0.38 -0.78 1.08 -1.54 -0.33 0.00 0.00 177.00 175.81 3d5x s SER 281 N -1.31 4.67 0.50 2.53 1.04 -1.26 -4.93 113.70 114.95 3d5x s SER 281 Ca 0.67 1.57 0.15 0.00 0.48 0.00 0.00 55.95 58.82 3d5x s SER 281 Cb -0.31 -2.34 1.19 0.00 0.10 0.00 0.00 66.02 64.66 3d5x s SER 281 CO 0.37 -1.89 2.12 1.62 0.98 0.00 0.00 173.24 176.44 3d5x h VAL 282 N -1.03 1.00 -0.25 5.02 3.04 -1.97 -2.50 116.25 119.56 3d5x h VAL 282 Ca -0.45 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.08 3d5x h VAL 282 Cb 1.24 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 3d5x h VAL 282 CO 0.56 0.02 -0.36 0.00 -1.01 0.00 0.00 177.57 176.78 3d5x h ALA 283 N 1.93 0.91 -0.01 3.17 0.00 -1.96 -3.04 119.26 120.26 3d5x h ALA 283 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d5x h ALA 283 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3d5x h ALA 283 CO -0.01 0.63 -0.06 -0.85 0.00 0.00 0.00 179.25 178.96 3d5x n GLU 284 N -4.05 1.46 0.00 0.00 0.28 -0.96 -3.96 120.64 113.41 3d5x n GLU 284 Ca -0.01 -0.84 -0.13 0.00 -0.16 0.00 0.00 57.16 56.02 3d5x n GLU 284 Cb 0.49 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.78 3d5x n GLU 284 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3d5x h LEU 285 N 2.04 -0.02 -1.70 -1.84 4.07 -1.39 -3.21 115.31 113.27 3d5x h LEU 285 Ca 0.00 -0.40 0.02 0.00 0.08 0.00 0.00 57.88 57.58 3d5x h LEU 285 Cb 0.49 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3d5x h LEU 285 CO 0.00 0.39 0.23 -0.07 -1.08 0.00 0.00 178.44 177.91 3d5x h LEU 286 N -0.44 0.35 -1.64 1.67 -0.00 -1.70 -2.54 115.31 111.02 3d5x h LEU 286 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3d5x h LEU 286 Cb 0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3d5x h LEU 286 CO 0.00 0.25 0.00 0.35 -0.00 0.00 0.00 178.44 179.04 3d5x n THR 287 N -4.49 0.54 -2.07 0.22 -2.24 -1.24 -4.73 114.28 100.28 3d5x n THR 287 Ca 0.03 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 3d5x n THR 287 Cb 0.11 0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3d5x n THR 287 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d5x s ASP 288 N -1.13 5.53 0.29 3.42 2.15 -0.96 -4.94 116.67 121.04 3d5x s ASP 288 Ca 0.32 2.06 0.04 0.00 0.43 0.00 0.00 52.55 55.40 3d5x s ASP 288 Cb 0.17 -2.56 0.67 0.00 -0.30 0.00 0.00 42.92 40.89 3d5x s ASP 288 CO 0.23 -1.34 1.78 -0.08 -0.17 0.00 0.00 175.17 175.58 3d5x h GLU 289 N 0.71 0.76 -0.97 4.34 4.81 -1.91 -1.98 114.58 120.34 3d5x h GLU 289 Ca -0.48 -0.05 0.20 0.00 -0.13 0.00 0.00 59.36 58.90 3d5x h GLU 289 Cb 1.25 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 3d5x h GLU 289 CO 0.56 0.50 0.61 0.35 -0.73 0.00 0.00 179.01 180.31 3d5x h PHE 290 N 0.78 0.82 -0.12 0.92 3.57 -1.92 0.37 116.94 121.37 3d5x h PHE 290 Ca 0.55 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.07 3d5x h PHE 290 Cb 0.78 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3d5x h PHE 290 CO -0.02 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.45 3d5x n PHE 291 N -4.64 0.16 0.00 0.41 3.72 -0.74 -4.03 117.46 112.34 3d5x n PHE 291 Ca 0.22 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3d5x n PHE 291 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3d5x n PHE 291 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d5x n THR 292 N 0.01 0.00 0.08 4.37 -2.24 0.33 -4.87 114.28 111.96 3d5x n THR 292 Ca 0.15 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 3d5x n THR 292 Cb 0.25 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3d5x n THR 292 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d5x h SER 293 N 0.00 0.29 -2.84 3.42 4.64 -0.53 -3.48 113.55 115.06 3d5x h SER 293 Ca 0.00 -0.25 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3d5x h SER 293 Cb 0.00 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3d5x h SER 293 CO 0.00 1.07 -0.07 0.61 -0.87 0.00 0.00 176.83 177.58 3d5x n GLY 294 N 0.98 3.99 3.69 -0.77 0.00 -1.26 -5.11 105.19 106.71 3d5x n GLY 294 Ca -0.04 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3d5x n GLY 294 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d5x s TYR 295 N -1.72 2.36 -0.42 1.61 5.04 -1.26 -4.99 117.35 117.97 3d5x s TYR 295 Ca 0.03 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 3d5x s TYR 295 Cb 0.00 -3.97 0.12 0.00 0.35 0.00 0.00 41.96 38.46 3d5x s TYR 295 CO 0.02 -3.90 0.18 0.00 -1.34 0.00 0.00 175.55 170.50 3d5x s ALA 296 N 2.79 3.13 0.26 3.97 0.00 -1.26 -4.37 121.76 126.28 3d5x s ALA 296 Ca 0.74 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 3d5x s ALA 296 Cb -0.39 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 3d5x s ALA 296 CO 0.32 -1.83 1.42 -1.25 0.00 0.00 0.00 175.76 174.43 3d5x s PRO 297 N 0.65 4.27 0.30 0.00 0.04 -1.26 -4.93 135.00 134.08 3d5x s PRO 297 Ca 0.12 2.30 0.19 0.00 0.04 0.00 0.00 61.00 63.65 3d5x s PRO 297 Cb -0.21 -3.10 0.14 0.00 0.04 0.00 0.00 34.50 31.36 3d5x s PRO 297 CO -0.05 -0.39 1.37 0.52 0.04 0.00 0.00 177.00 178.49 3d5x h MET 298 N 4.73 0.00 -4.69 4.56 2.86 -1.98 -3.43 114.93 116.97 3d5x h MET 298 Ca -0.47 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 56.90 3d5x h MET 298 Cb 1.22 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.69 3d5x h MET 298 CO 0.75 0.21 -0.73 1.03 1.06 0.00 0.00 176.91 179.23 3d5x s ARG 299 N -3.11 0.66 -0.04 1.72 1.81 -1.26 -5.15 118.95 113.57 3d5x s ARG 299 Ca 0.04 -0.96 0.03 0.00 -1.72 0.00 0.00 55.73 53.12 3d5x s ARG 299 Cb 0.07 -0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.23 3d5x s ARG 299 CO 0.73 0.05 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.75 3d5x s LEU 300 N -2.05 1.82 0.67 2.53 1.43 -1.26 -5.15 118.68 116.67 3d5x s LEU 300 Ca -0.02 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3d5x s LEU 300 Cb -0.05 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.35 3d5x s LEU 300 CO -0.01 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 3d5x s PRO 301 N 0.21 3.04 0.09 1.29 0.04 -1.26 -4.65 135.00 133.76 3d5x s PRO 301 Ca -0.06 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.12 3d5x s PRO 301 Cb -0.11 -2.00 0.61 0.00 0.04 0.00 0.00 34.50 33.03 3d5x s PRO 301 CO 0.02 -1.02 1.42 0.25 0.04 0.00 0.00 177.00 177.72 3d5x n THR 302 N -2.88 1.22 0.29 1.26 -2.24 -1.26 -2.28 114.28 108.39 3d5x n THR 302 Ca 0.08 0.37 0.16 0.00 -2.27 0.00 0.00 64.05 62.38 3d5x n THR 302 Cb 0.53 -1.25 0.87 0.00 -2.10 0.00 0.00 70.33 68.38 3d5x n THR 302 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d5x h SER 303 N 0.00 0.00 0.30 3.42 4.64 -1.92 -2.71 113.55 117.28 3d5x h SER 303 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d5x h SER 303 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3d5x h SER 303 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3d5x h LEU 305 N 0.00 0.00 0.00 0.00 3.38 -1.73 -3.39 115.31 113.57 3d5x h LEU 305 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d5x h LEU 305 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3d5x h LEU 305 CO 0.00 0.45 -0.95 0.35 0.09 0.00 0.00 178.44 178.38 3d5x n THR 306 N -3.85 0.00 -4.17 0.22 -2.24 -0.79 -4.61 114.28 98.84 3d5x n THR 306 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3d5x n THR 306 Cb 0.50 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 3d5x n THR 306 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3d5x s VAL 307 N -1.95 0.99 0.39 2.28 -7.23 -0.03 -4.73 120.40 110.12 3d5x s VAL 307 Ca 0.00 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.38 3d5x s VAL 307 Cb 0.00 -1.25 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 3d5x s VAL 307 CO 0.00 -0.45 1.38 -2.16 -0.31 0.00 0.00 175.10 173.56 3d5x s PRO 308 N -2.43 4.03 0.00 4.82 0.04 -1.26 -3.64 135.00 136.56 3d5x s PRO 308 Ca 0.03 2.34 0.13 0.00 0.04 0.00 0.00 61.00 63.53 3d5x s PRO 308 Cb -0.05 -2.86 0.76 0.00 0.04 0.00 0.00 34.50 32.39 3d5x s PRO 308 CO 0.01 -0.50 1.19 -0.35 0.04 0.00 0.00 177.00 177.39