#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbu s PHE 2 N 0.00 -0.32 -0.05 1.12 2.19 -1.26 -3.64 117.98 116.02 3fbu s PHE 2 Ca 0.00 0.79 0.01 0.00 0.33 0.00 0.00 56.93 58.06 3fbu s PHE 2 Cb 0.00 -0.05 0.02 0.00 -1.31 0.00 0.00 43.02 41.68 3fbu s PHE 2 CO 0.00 -0.27 -0.07 0.42 1.83 0.00 0.00 175.22 177.13 3fbu s ILE 3 N 1.82 0.73 -0.22 3.12 1.01 -0.04 -4.99 121.20 122.64 3fbu s ILE 3 Ca -0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3fbu s ILE 3 Cb -0.11 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 3fbu s ILE 3 CO -0.08 0.27 0.04 -0.54 0.00 0.00 0.00 174.94 174.63 3fbu s LYS 4 N 0.81 3.68 0.00 2.79 1.02 -1.26 -0.51 119.74 126.27 3fbu s LYS 4 Ca -0.13 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3fbu s LYS 4 Cb -0.15 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3fbu s LYS 4 CO 0.01 -0.03 0.00 0.00 -0.92 0.00 0.00 175.35 174.41 3fbu n ALA 5 N 4.42 0.00 -0.10 5.17 0.00 0.41 -5.01 120.51 125.40 3fbu n ALA 5 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 3fbu n ALA 5 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3fbu n ALA 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fbu n GLU 6 N 0.00 0.52 -0.00 0.00 1.02 -1.26 -4.59 120.64 116.33 3fbu n GLU 6 Ca 0.00 0.37 0.10 0.00 -0.02 0.00 0.00 57.16 57.61 3fbu n GLU 6 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 31.44 29.73 3fbu n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fbu n ARG 7 N -4.46 0.21 -4.19 3.49 1.74 -1.26 -5.00 116.66 107.18 3fbu n ARG 7 Ca -0.22 -0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 56.68 3fbu n ARG 7 Cb 0.54 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 3fbu n ARG 7 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3fbu s LEU 8 N -3.49 1.86 0.19 0.55 0.05 -1.26 -1.16 118.68 115.42 3fbu s LEU 8 Ca 0.03 -1.22 0.05 0.00 0.05 0.00 0.00 54.13 53.05 3fbu s LEU 8 Cb 0.15 0.16 -0.05 0.00 -2.05 0.00 0.00 46.19 44.40 3fbu s LEU 8 CO 0.88 -0.68 -0.08 -1.48 -0.55 0.00 0.00 176.35 174.44 3fbu s LEU 9 N -3.11 2.44 -0.10 1.48 0.05 0.08 -0.45 118.68 119.08 3fbu s LEU 9 Ca 0.26 -1.09 0.02 0.00 0.05 0.00 0.00 54.13 53.37 3fbu s LEU 9 Cb 0.07 -0.43 0.01 0.00 -2.05 0.00 0.00 46.19 43.79 3fbu s LEU 9 CO 0.04 -0.34 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.71 3fbu s ILE 10 N -3.24 1.48 0.30 1.48 1.01 0.33 -0.81 121.20 121.76 3fbu s ILE 10 Ca 0.22 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3fbu s ILE 10 Cb 0.03 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3fbu s ILE 10 CO 0.05 0.44 0.29 0.00 0.00 0.00 0.00 174.94 175.72 3fbu s ARG 11 N 0.85 1.67 0.48 2.79 1.70 -0.93 -0.86 118.95 124.65 3fbu s ARG 11 Ca -0.10 -1.87 -0.20 0.00 -0.47 0.00 0.00 55.73 53.10 3fbu s ARG 11 Cb -0.15 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 3fbu s ARG 11 CO 0.01 -0.62 1.00 0.15 -1.08 0.00 0.00 175.30 174.75 3fbu s LYS 12 N -3.53 3.94 0.57 3.89 1.02 -1.24 -2.64 119.74 121.75 3fbu s LYS 12 Ca 0.38 1.21 -0.21 0.00 0.02 0.00 0.00 55.97 57.37 3fbu s LYS 12 Cb 0.03 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3fbu s LYS 12 CO 0.23 -0.29 1.28 1.19 -0.92 0.00 0.00 175.35 176.83 3fbu n PHE 13 N -1.01 1.99 -4.40 3.18 3.72 -1.26 -4.80 117.46 114.88 3fbu n PHE 13 Ca 0.08 0.43 -0.27 0.00 -0.05 0.00 0.00 57.45 57.65 3fbu n PHE 13 Cb 0.53 -2.31 -0.13 0.00 -0.94 0.00 0.00 39.48 36.63 3fbu n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3fbu s GLU 14 N -2.94 1.31 0.29 -1.08 2.02 -1.26 -4.77 118.70 112.28 3fbu s GLU 14 Ca 0.74 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3fbu s GLU 14 Cb -0.42 -1.67 0.55 0.00 0.10 0.00 0.00 34.13 32.69 3fbu s GLU 14 CO 0.47 0.40 1.87 0.35 0.02 0.00 0.00 175.26 178.37 3fbu h PHE 15 N 4.08 1.09 -0.07 1.61 3.57 -1.97 -1.06 116.94 124.19 3fbu h PHE 15 Ca -0.48 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.07 3fbu h PHE 15 Cb 1.17 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 3fbu h PHE 15 CO 0.59 0.49 0.25 1.57 -2.23 0.00 0.00 178.31 178.98 3fbu h LYS 16 N 1.00 0.00 0.00 1.11 2.10 -2.02 -2.39 116.57 116.37 3fbu h LYS 16 Ca 0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3fbu h LYS 16 Cb 0.38 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3fbu h LYS 16 CO -0.21 0.00 -0.02 -0.44 -2.00 0.00 0.00 179.45 176.79 3fbu h ASP 17 N 0.00 0.00 -0.52 7.07 3.32 -1.61 -3.30 116.42 121.37 3fbu h ASP 17 Ca 0.04 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3fbu h ASP 17 Cb 0.53 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3fbu h ASP 17 CO -0.00 0.02 0.35 4.11 -1.72 0.00 0.00 179.24 181.99 3fbu h TRP 18 N 0.00 0.56 -0.48 4.55 5.08 -1.62 -2.46 115.95 121.58 3fbu h TRP 18 Ca -0.00 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.94 3fbu h TRP 18 Cb 0.11 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 26.06 3fbu h TRP 18 CO 0.00 0.32 0.13 0.93 -1.28 0.00 0.00 178.44 178.54 3fbu h GLU 19 N 0.58 0.76 -0.30 0.12 5.08 -1.84 0.31 114.58 119.29 3fbu h GLU 19 Ca 0.21 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3fbu h GLU 19 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3fbu h GLU 19 CO -0.06 0.73 -0.37 0.00 -1.00 0.00 0.00 179.01 178.32 3fbu h ALA 20 N 0.99 0.79 -0.46 3.43 0.00 -1.74 -2.87 119.26 119.40 3fbu h ALA 20 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fbu h ALA 20 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fbu h ALA 20 CO -0.00 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.47 3fbu h VAL 21 N 0.57 1.13 0.00 0.00 2.07 -1.18 -2.88 116.25 115.96 3fbu h VAL 21 Ca 0.05 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3fbu h VAL 21 Cb 0.90 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3fbu h VAL 21 CO 0.08 0.13 -0.01 -0.74 0.02 0.00 0.00 177.57 177.05 3fbu h HIS 22 N 0.62 0.00 -1.00 1.57 6.17 -0.76 -0.68 115.15 121.08 3fbu h HIS 22 Ca 0.17 0.00 0.23 0.00 0.71 0.00 0.00 60.37 61.48 3fbu h HIS 22 Cb -0.04 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 29.80 3fbu h HIS 22 CO -0.04 0.01 0.63 0.93 0.71 0.00 0.00 177.93 180.18 3fbu h GLU 23 N 0.00 0.49 0.00 5.26 5.08 -1.29 -2.44 114.58 121.68 3fbu h GLU 23 Ca -0.00 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3fbu h GLU 23 Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3fbu h GLU 23 CO 0.00 0.32 -1.74 2.48 -1.00 0.00 0.00 179.01 179.08 3fbu n TYR 24 N -4.65 0.00 0.43 4.33 0.18 -0.38 -4.49 117.16 112.58 3fbu n TYR 24 Ca 0.24 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.15 3fbu n TYR 24 Cb 0.75 -0.49 0.47 0.00 -0.38 0.00 0.00 39.34 39.70 3fbu n TYR 24 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 3fbu h THR 25 N 0.00 0.00 -0.02 -3.48 1.35 -1.22 -2.08 112.91 107.46 3fbu h THR 25 Ca -0.21 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3fbu h THR 25 Cb 1.35 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3fbu h THR 25 CO 0.01 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 3fbu n SER 26 N -2.43 1.04 -4.50 5.36 3.41 -0.92 -1.01 113.62 114.56 3fbu n SER 26 Ca 0.03 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 3fbu n SER 26 Cb 0.32 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 3fbu n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fbu s ASP 27 N -1.95 6.14 0.53 4.04 -1.08 -0.78 -4.83 116.67 118.74 3fbu s ASP 27 Ca 0.40 -0.55 0.20 0.00 -0.52 0.00 0.00 52.55 52.08 3fbu s ASP 27 Cb 0.21 -2.18 1.40 0.00 -1.46 0.00 0.00 42.92 40.88 3fbu s ASP 27 CO 0.33 -0.41 2.16 0.77 0.52 0.00 0.00 175.17 178.55 3fbu h SER 28 N 8.58 0.00 -0.28 -0.34 4.64 -1.89 -0.54 113.55 123.71 3fbu h SER 28 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 3fbu h SER 28 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3fbu h SER 28 CO 0.72 0.02 -0.26 0.44 -0.87 0.00 0.00 176.83 176.88 3fbu h ASP 29 N 0.00 0.72 -0.54 4.97 3.32 -1.94 -2.54 116.42 120.40 3fbu h ASP 29 Ca -0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 3fbu h ASP 29 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3fbu h ASP 29 CO 0.00 1.04 -0.06 0.58 -1.72 0.00 0.00 179.24 179.08 3fbu h VAL 30 N 0.41 1.27 -0.44 -1.35 2.07 -1.65 -3.10 116.25 113.46 3fbu h VAL 30 Ca 0.05 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3fbu h VAL 30 Cb 0.83 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3fbu h VAL 30 CO 0.07 0.43 0.00 0.23 0.02 0.00 0.00 177.57 178.32 3fbu n MET 31 N -4.16 2.12 -0.24 1.57 2.81 -0.28 -4.56 117.12 114.37 3fbu n MET 31 Ca 0.02 -1.63 0.15 0.00 -1.81 0.00 0.00 57.70 54.43 3fbu n MET 31 Cb 0.37 -1.38 0.45 0.00 -0.71 0.00 0.00 33.22 31.95 3fbu n MET 31 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3fbu h LYS 32 N 2.61 0.52 -0.33 0.03 3.64 -1.37 -1.53 116.57 120.13 3fbu h LYS 32 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fbu h LYS 32 Cb 0.65 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3fbu h LYS 32 CO 0.02 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 3fbu n TYR 33 N -4.54 0.43 -3.25 1.91 4.01 -1.26 -4.91 117.16 109.54 3fbu n TYR 33 Ca 0.18 -0.25 -0.39 0.00 -0.16 0.00 0.00 57.90 57.27 3fbu n TYR 33 Cb 0.57 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 3fbu n TYR 33 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3fbu s ILE 34 N -1.35 5.09 0.39 -0.72 -1.09 -0.58 -4.97 121.20 117.98 3fbu s ILE 34 Ca 0.33 0.89 0.09 0.00 -2.23 0.00 0.00 60.65 59.73 3fbu s ILE 34 Cb 0.20 -3.82 0.30 0.00 -1.58 0.00 0.00 42.46 37.55 3fbu s ILE 34 CO 0.27 0.13 1.98 -0.65 -1.23 0.00 0.00 174.94 175.44 3fbu h PRO 35 N 7.75 0.60 0.00 2.79 0.11 -1.91 0.28 132.00 141.62 3fbu h PRO 35 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3fbu h PRO 35 Cb 1.15 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3fbu h PRO 35 CO 0.72 0.39 -0.13 0.93 -0.21 0.00 0.00 178.00 179.71 3fbu h GLU 36 N 0.61 0.00 0.00 1.05 3.07 -1.93 -3.49 114.58 113.89 3fbu h GLU 36 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3fbu h GLU 36 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3fbu h GLU 36 CO -0.09 0.13 0.00 0.41 -1.40 0.00 0.00 179.01 178.06 3fbu n GLY 37 N -0.67 -1.73 3.76 -3.84 0.00 0.08 -4.89 105.19 97.90 3fbu n GLY 37 Ca -0.02 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 3fbu n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fbu s VAL 38 N 0.00 2.62 -0.09 1.61 -7.23 -1.26 -4.98 120.40 111.07 3fbu s VAL 38 Ca 0.00 0.43 -0.07 0.00 -1.81 0.00 0.00 61.98 60.52 3fbu s VAL 38 Cb 0.00 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 3fbu s VAL 38 CO 0.00 -0.04 0.18 -0.36 -0.31 0.00 0.00 175.10 174.57 3fbu s PHE 39 N -1.51 3.61 0.90 2.82 0.40 -0.18 -5.01 117.98 119.02 3fbu s PHE 39 Ca 0.72 0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 57.47 3fbu s PHE 39 Cb -0.32 -1.97 0.15 0.00 0.51 0.00 0.00 43.02 41.39 3fbu s PHE 39 CO 0.37 0.71 1.27 0.95 0.70 0.00 0.00 175.22 179.22 3fbu s THR 40 N -1.09 2.00 0.20 0.64 -4.23 -1.26 -4.27 115.64 107.63 3fbu s THR 40 Ca 0.18 -0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.59 3fbu s THR 40 Cb -0.13 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.84 3fbu s THR 40 CO 0.07 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.61 3fbu h GLU 41 N -1.42 1.02 -0.58 3.99 3.07 -1.99 -1.97 114.58 116.70 3fbu h GLU 41 Ca -0.45 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.30 3fbu h GLU 41 Cb 1.27 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.95 3fbu h GLU 41 CO 0.49 0.80 0.32 1.49 -1.40 0.00 0.00 179.01 180.71 3fbu h GLU 42 N 0.99 0.59 -0.70 2.33 4.81 -2.00 -1.90 114.58 118.70 3fbu h GLU 42 Ca 0.24 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3fbu h GLU 42 Cb 0.12 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 3fbu h GLU 42 CO -0.03 0.39 0.35 -0.44 -0.73 0.00 0.00 179.01 178.55 3fbu h ASP 43 N 0.61 0.45 -0.39 1.04 3.32 -1.75 -1.26 116.42 118.45 3fbu h ASP 43 Ca 0.25 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 3fbu h ASP 43 Cb 0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3fbu h ASP 43 CO -0.15 0.26 -0.25 0.74 -1.72 0.00 0.00 179.24 178.12 3fbu h THR 44 N 0.59 1.28 -0.51 0.35 2.02 -0.92 -0.14 112.91 115.58 3fbu h THR 44 Ca 0.35 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.14 3fbu h THR 44 Cb 0.36 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3fbu h THR 44 CO -0.27 0.47 0.32 0.03 0.37 0.00 0.00 175.52 176.44 3fbu h ARG 45 N 0.66 0.62 -0.77 6.66 3.08 -1.11 -0.33 114.38 123.18 3fbu h ARG 45 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3fbu h ARG 45 Cb 0.82 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 3fbu h ARG 45 CO 0.07 0.41 0.38 -0.91 -1.07 0.00 0.00 179.97 178.85 3fbu h ASN 46 N 0.64 1.00 0.24 7.04 2.35 -1.02 0.11 115.58 125.93 3fbu h ASN 46 Ca 0.20 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fbu h ASN 46 Cb -0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3fbu h ASN 46 CO -0.08 0.85 -0.21 0.15 -1.65 0.00 0.00 177.43 176.49 3fbu h PHE 47 N 1.09 -0.55 -0.15 1.19 3.57 -0.74 0.23 116.94 121.57 3fbu h PHE 47 Ca 0.27 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3fbu h PHE 47 Cb 0.10 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3fbu h PHE 47 CO 0.01 -0.31 0.05 0.28 -2.23 0.00 0.00 178.31 176.11 3fbu h VAL 48 N -0.47 0.97 -0.65 1.41 2.07 -0.87 -2.65 116.25 116.05 3fbu h VAL 48 Ca -0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3fbu h VAL 48 Cb 0.42 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3fbu h VAL 48 CO -0.03 0.02 0.37 -1.13 0.02 0.00 0.00 177.57 176.82 3fbu h ASN 49 N 0.12 0.57 0.22 0.57 -1.24 -0.61 -1.50 115.58 113.71 3fbu h ASN 49 Ca 0.06 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 3fbu h ASN 49 Cb 0.03 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 3fbu h ASN 49 CO -0.06 0.38 -0.14 0.50 -1.29 0.00 0.00 177.43 176.82 3fbu h LYS 50 N 0.70 0.00 -0.65 6.67 3.64 -0.82 -2.82 116.57 123.30 3fbu h LYS 50 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3fbu h LYS 50 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3fbu h LYS 50 CO -0.16 0.14 0.00 0.09 -2.27 0.00 0.00 179.45 177.25 3fbu n ASN 51 N -4.06 4.58 -2.18 4.20 3.02 -0.58 -4.54 115.26 115.69 3fbu n ASN 51 Ca -0.02 -2.44 -0.26 0.00 -0.03 0.00 0.00 54.58 51.83 3fbu n ASN 51 Cb 0.22 -0.57 0.12 0.00 -0.61 0.00 0.00 39.78 38.95 3fbu n ASN 51 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3fbu n MET 52 N 1.05 2.32 -0.40 3.52 2.81 -1.07 -4.33 117.12 121.01 3fbu n MET 52 Ca 0.25 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 3fbu n MET 52 Cb 0.86 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 3fbu n MET 52 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3fbu n ASN 55 N -0.87 -0.05 -4.72 7.83 3.02 -1.26 -5.01 115.26 114.20 3fbu n ASN 55 Ca 0.56 0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.71 3fbu n ASN 55 Cb 1.16 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 40.25 3fbu n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fbu n ALA 56 N -0.16 2.14 -0.36 5.41 0.00 -1.26 -4.92 120.51 121.37 3fbu n ALA 56 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3fbu n ALA 56 Cb 0.02 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.06 3fbu n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fbu n LYS 57 N 2.22 -0.49 -4.05 0.00 5.02 -1.26 -4.95 118.16 114.64 3fbu n LYS 57 Ca 0.10 -0.31 -0.16 0.00 -2.02 0.00 0.00 58.31 55.93 3fbu n LYS 57 Cb 0.35 -0.80 -0.15 0.00 -0.02 0.00 0.00 35.03 34.41 3fbu n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3fbu s ASN 58 N -0.02 0.46 -0.07 4.39 0.01 -1.26 -0.89 114.94 117.56 3fbu s ASN 58 Ca 0.00 -0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.06 3fbu s ASN 58 Cb 0.00 -0.11 0.04 0.00 0.41 0.00 0.00 41.25 41.59 3fbu s ASN 58 CO 0.00 0.01 0.07 -0.36 -1.51 0.00 0.00 177.10 175.31 3fbu s PHE 59 N 0.20 0.07 0.54 2.20 0.08 0.14 -4.63 117.98 116.59 3fbu s PHE 59 Ca -0.02 0.15 -0.21 0.00 0.12 0.00 0.00 56.93 56.97 3fbu s PHE 59 Cb -0.05 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.84 3fbu s PHE 59 CO -0.00 -0.27 1.23 -1.25 -0.10 0.00 0.00 175.22 174.82 3fbu s PRO 60 N 2.17 3.28 -0.23 0.24 0.04 -1.08 -0.31 135.00 139.11 3fbu s PRO 60 Ca 0.04 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 3fbu s PRO 60 Cb -0.13 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3fbu s PRO 60 CO -0.05 -0.98 0.06 0.08 0.04 0.00 0.00 177.00 176.15 3fbu s VAL 61 N -1.51 4.33 -0.10 -0.36 1.01 0.44 -2.19 120.40 122.02 3fbu s VAL 61 Ca 0.71 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3fbu s VAL 61 Cb -0.32 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3fbu s VAL 61 CO 0.37 0.38 -0.22 -0.63 0.00 0.00 0.00 175.10 175.00 3fbu s ILE 62 N 1.27 1.94 -0.11 2.22 -1.09 0.01 -1.13 121.20 124.31 3fbu s ILE 62 Ca 0.05 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.23 3fbu s ILE 62 Cb -0.15 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 3fbu s ILE 62 CO 0.03 0.53 1.37 -0.22 -1.23 0.00 0.00 174.94 175.43 3fbu s LEU 63 N 0.47 4.24 0.29 2.97 2.96 0.26 -0.74 118.68 129.13 3fbu s LEU 63 Ca -0.16 1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 55.35 3fbu s LEU 63 Cb -0.17 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 3fbu s LEU 63 CO 0.06 -0.78 1.20 -0.63 -1.32 0.00 0.00 176.35 174.88 3fbu s ILE 64 N 3.39 3.19 0.00 6.68 1.01 -0.31 -0.21 121.20 134.95 3fbu s ILE 64 Ca 0.61 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3fbu s ILE 64 Cb -0.26 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3fbu s ILE 64 CO 0.21 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3fbu n GLY 65 N 1.20 1.98 0.24 6.18 0.00 -1.26 -4.46 105.19 109.06 3fbu n GLY 65 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3fbu n GLY 65 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fbu h GLU 66 N 0.00 0.00 -6.02 1.61 5.08 -1.97 -3.47 114.58 109.82 3fbu h GLU 66 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 3fbu h GLU 66 Cb 0.00 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.32 3fbu h GLU 66 CO 0.00 0.15 -0.76 -1.71 -1.00 0.00 0.00 179.01 175.69 3fbu n ASN 67 N -3.28 -3.78 -4.61 1.42 5.15 0.71 -4.99 115.26 105.89 3fbu n ASN 67 Ca 0.01 -0.70 -0.34 0.00 -0.60 0.00 0.00 54.58 52.94 3fbu n ASN 67 Cb 0.41 -4.43 -0.11 0.00 -0.53 0.00 0.00 39.78 35.12 3fbu n ASN 67 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3fbu s ILE 68 N -3.41 3.84 -0.19 -1.44 -4.36 -1.20 -4.89 121.20 109.55 3fbu s ILE 68 Ca 0.36 -0.43 -0.25 0.00 -0.26 0.00 0.00 60.65 60.07 3fbu s ILE 68 Cb -0.17 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 3fbu s ILE 68 CO 0.78 0.60 0.82 -0.22 0.24 0.00 0.00 174.94 177.16 3fbu s LEU 69 N -0.83 4.15 0.00 0.37 0.20 -1.26 -0.57 118.68 120.74 3fbu s LEU 69 Ca 0.13 1.12 0.09 0.00 0.69 0.00 0.00 54.13 56.16 3fbu s LEU 69 Cb -0.11 -3.20 -0.06 0.00 -0.43 0.00 0.00 46.19 42.39 3fbu s LEU 69 CO 0.02 -0.42 0.48 1.33 -0.29 0.00 0.00 176.35 177.47 3fbu n VAL 70 N 4.85 0.00 -3.71 1.68 0.24 -0.29 -4.87 118.33 116.23 3fbu n VAL 70 Ca 0.04 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3fbu n VAL 70 Cb 0.49 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 3fbu n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fbu n GLY 71 N 1.07 -1.08 3.10 7.63 0.00 -1.24 -0.62 105.19 114.04 3fbu n GLY 71 Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 3fbu n GLY 71 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3fbu s HIS 72 N -3.00 0.08 -0.10 1.61 -0.00 0.23 -0.42 115.29 113.70 3fbu s HIS 72 Ca 0.00 -0.22 -0.12 0.00 -0.00 0.00 0.00 55.06 54.72 3fbu s HIS 72 Cb 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 32.58 32.46 3fbu s HIS 72 CO 0.00 -0.29 0.28 0.42 -0.00 0.00 0.00 174.74 175.15 3fbu s ILE 73 N -1.55 5.28 -0.21 -5.38 -1.09 0.58 -1.40 121.20 117.43 3fbu s ILE 73 Ca -0.14 0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.72 3fbu s ILE 73 Cb -0.07 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 3fbu s ILE 73 CO 0.01 0.51 0.14 -0.69 -1.23 0.00 0.00 174.94 173.67 3fbu s VAL 74 N -0.41 5.38 -0.25 2.92 1.01 0.43 -0.68 120.40 128.80 3fbu s VAL 74 Ca 0.18 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 3fbu s VAL 74 Cb -0.14 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 32.90 3fbu s VAL 74 CO 0.07 0.42 0.48 0.12 0.00 0.00 0.00 175.10 176.19 3fbu s PHE 75 N 0.53 -1.06 0.18 5.22 5.36 -0.07 -1.06 117.98 127.09 3fbu s PHE 75 Ca 0.08 1.53 -0.21 0.00 -0.96 0.00 0.00 56.93 57.37 3fbu s PHE 75 Cb -0.12 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 42.99 3fbu s PHE 75 CO -0.00 -0.65 0.58 -3.38 -1.46 0.00 0.00 175.22 170.31 3fbu s HIS 76 N 2.70 -0.36 0.35 10.12 -3.43 -0.78 -4.57 115.29 119.31 3fbu s HIS 76 Ca 0.05 0.07 -0.28 0.00 -0.80 0.00 0.00 55.06 54.10 3fbu s HIS 76 Cb -0.13 0.52 -0.12 0.00 -1.43 0.00 0.00 32.58 31.41 3fbu s HIS 76 CO -0.16 -0.91 1.30 1.63 -2.00 0.00 0.00 174.74 174.60 3fbu n LYS 77 N -0.37 2.16 0.00 -0.38 5.02 -1.26 -0.52 118.16 122.81 3fbu n LYS 77 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3fbu n LYS 77 Cb 0.63 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3fbu n LYS 77 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3fbu n TYR 78 N 0.32 0.00 -3.62 2.13 9.36 0.23 -4.66 117.16 120.92 3fbu n TYR 78 Ca 0.04 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.02 3fbu n TYR 78 Cb 0.36 0.07 -0.17 0.00 -0.63 0.00 0.00 39.34 38.97 3fbu n TYR 78 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 3fbu s PHE 79 N -1.97 0.14 0.00 2.98 5.36 -0.67 -5.02 117.98 118.80 3fbu s PHE 79 Ca 0.00 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 3fbu s PHE 79 Cb 0.00 -0.63 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 3fbu s PHE 79 CO 0.00 -0.43 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 3fbu n GLY 80 N 5.29 1.28 0.55 13.12 0.00 -1.26 -2.36 105.19 121.80 3fbu n GLY 80 Ca -0.06 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.46 3fbu n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fbu n GLU 81 N 1.99 1.39 0.01 1.61 1.02 -1.26 -4.54 120.64 120.87 3fbu n GLU 81 Ca 0.00 -1.51 0.11 0.00 -0.02 0.00 0.00 57.16 55.74 3fbu n GLU 81 Cb 0.00 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 3fbu n GLU 81 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3fbu n HIS 82 N 0.64 0.12 -3.96 -0.32 1.44 -1.23 -4.88 115.22 107.03 3fbu n HIS 82 Ca 0.09 0.04 -0.27 0.00 -2.01 0.00 0.00 57.72 55.56 3fbu n HIS 82 Cb 0.35 -0.36 -0.17 0.00 0.12 0.00 0.00 29.99 29.93 3fbu n HIS 82 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3fbu s THR 83 N -3.26 1.12 0.30 0.61 2.01 -0.99 -1.16 115.64 114.27 3fbu s THR 83 Ca 0.01 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.73 3fbu s THR 83 Cb 0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3fbu s THR 83 CO 0.86 0.38 0.13 -0.31 -0.69 0.00 0.00 174.62 174.99 3fbu s TYR 84 N 1.61 2.80 -0.09 4.92 4.12 -0.86 -0.60 117.35 129.26 3fbu s TYR 84 Ca 0.04 -0.28 0.01 0.00 0.02 0.00 0.00 57.07 56.86 3fbu s TYR 84 Cb -0.13 -1.50 -0.02 0.00 -1.52 0.00 0.00 41.96 38.79 3fbu s TYR 84 CO -0.08 0.43 -0.11 -2.00 0.02 0.00 0.00 175.55 173.81 3fbu s GLU 85 N -3.82 2.97 0.09 -0.62 2.12 0.33 -0.68 118.70 119.09 3fbu s GLU 85 Ca 0.36 -0.63 0.08 0.00 0.36 0.00 0.00 54.97 55.14 3fbu s GLU 85 Cb -0.05 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 3fbu s GLU 85 CO 0.23 0.47 -0.19 -1.50 -0.54 0.00 0.00 175.26 173.73 3fbu s ILE 86 N -0.30 2.79 0.14 -3.70 2.07 -0.13 -1.86 121.20 120.20 3fbu s ILE 86 Ca 0.03 -1.40 -0.05 0.00 -1.41 0.00 0.00 60.65 57.82 3fbu s ILE 86 Cb -0.13 -2.24 0.02 0.00 0.13 0.00 0.00 42.46 40.25 3fbu s ILE 86 CO 0.03 0.19 0.27 0.61 -1.91 0.00 0.00 174.94 174.13 3fbu n GLY 87 N 1.09 1.65 3.54 1.50 0.00 -0.22 -4.48 105.19 108.28 3fbu n GLY 87 Ca -0.16 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3fbu n GLY 87 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3fbu s TRP 88 N -6.62 -0.36 -0.03 1.61 -2.14 -1.26 -0.43 118.94 109.70 3fbu s TRP 88 Ca 0.06 0.44 -0.01 0.00 2.66 0.00 0.00 56.10 59.25 3fbu s TRP 88 Cb -0.02 0.49 0.03 0.00 -3.10 0.00 0.00 33.47 30.87 3fbu s TRP 88 CO 0.04 -0.44 0.03 0.08 -2.66 0.00 0.00 176.95 174.00 3fbu s VAL 89 N -2.09 -0.01 0.18 -0.66 1.01 -0.49 -4.95 120.40 113.40 3fbu s VAL 89 Ca 0.01 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.35 3fbu s VAL 89 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3fbu s VAL 89 CO -0.03 0.14 -0.21 -0.36 0.00 0.00 0.00 175.10 174.64 3fbu s PHE 90 N 1.47 2.08 -0.04 5.22 0.40 -1.26 -0.60 117.98 125.25 3fbu s PHE 90 Ca -0.04 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 3fbu s PHE 90 Cb -0.13 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 3fbu s PHE 90 CO -0.03 0.43 1.55 1.21 0.70 0.00 0.00 175.22 179.08 3fbu s ASN 91 N -2.68 6.73 0.32 1.36 3.84 0.21 -4.89 114.94 119.83 3fbu s ASN 91 Ca 0.18 2.18 0.24 0.00 0.21 0.00 0.00 52.86 55.68 3fbu s ASN 91 Cb -0.07 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.25 3fbu s ASN 91 CO 0.08 -0.85 1.74 1.55 -2.79 0.00 0.00 177.10 176.83 3fbu h PRO 92 N 8.82 0.00 -1.06 0.43 0.13 -1.95 -2.04 132.00 136.33 3fbu h PRO 92 Ca -0.38 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.03 3fbu h PRO 92 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3fbu h PRO 92 CO 0.94 0.00 0.69 0.87 -0.23 0.00 0.00 178.00 180.27 3fbu h LYS 93 N 0.00 0.34 -0.51 0.86 1.57 -1.96 -2.18 116.57 114.68 3fbu h LYS 93 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fbu h LYS 93 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3fbu h LYS 93 CO 0.00 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 179.76 3fbu n TYR 94 N -4.60 1.46 -0.24 -1.35 4.01 -0.77 -4.72 117.16 110.95 3fbu n TYR 94 Ca 0.26 -0.70 0.04 0.00 -0.16 0.00 0.00 57.90 57.34 3fbu n TYR 94 Cb 0.93 -0.33 0.15 0.00 -0.31 0.00 0.00 39.34 39.78 3fbu n TYR 94 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3fbu h PHE 95 N 3.37 -0.00 0.00 -0.72 3.57 -1.54 -0.55 116.94 121.06 3fbu h PHE 95 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3fbu h PHE 95 Cb 1.56 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.41 3fbu h PHE 95 CO 0.76 -0.20 0.00 0.09 -2.23 0.00 0.00 178.31 176.73 3fbu n ASN 96 N -5.30 0.00 0.04 0.41 3.02 -1.26 -3.80 115.26 108.37 3fbu n ASN 96 Ca 0.12 0.15 0.13 0.00 -0.03 0.00 0.00 54.58 54.95 3fbu n ASN 96 Cb 0.44 -0.37 0.36 0.00 -0.61 0.00 0.00 39.78 39.60 3fbu n ASN 96 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fbu n LYS 97 N -1.37 0.13 -2.38 3.52 4.76 -0.22 -4.95 118.16 117.66 3fbu n LYS 97 Ca 0.09 0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.46 3fbu n LYS 97 Cb 0.22 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 3fbu n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fbu n GLY 98 N 1.42 -0.17 0.20 0.72 0.00 -1.25 -4.93 105.19 101.18 3fbu n GLY 98 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 3fbu n GLY 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fbu h TYR 99 N -0.23 0.42 -0.01 1.61 0.05 -1.88 -3.03 116.97 113.90 3fbu h TYR 99 Ca -0.33 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3fbu h TYR 99 Cb 1.24 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 3fbu h TYR 99 CO 0.35 0.75 0.00 0.00 -1.05 0.00 0.00 178.16 178.22 3fbu h ALA 100 N 1.23 0.01 -0.74 3.88 0.00 -1.94 -0.46 119.26 121.24 3fbu h ALA 100 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3fbu h ALA 100 Cb 0.93 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3fbu h ALA 100 CO 0.08 -0.49 0.22 0.66 0.00 0.00 0.00 179.25 179.71 3fbu h SER 101 N 0.01 1.10 0.18 0.00 4.64 -1.92 0.13 113.55 117.69 3fbu h SER 101 Ca 0.01 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3fbu h SER 101 Cb 0.01 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3fbu h SER 101 CO -0.01 1.02 -0.09 -0.08 -0.87 0.00 0.00 176.83 176.81 3fbu h GLU 102 N 1.11 -0.24 -0.46 4.77 4.81 -1.38 -0.33 114.58 122.86 3fbu h GLU 102 Ca 0.24 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3fbu h GLU 102 Cb 0.33 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3fbu h GLU 102 CO -0.00 -0.12 0.22 0.00 -0.73 0.00 0.00 179.01 178.38 3fbu h ALA 103 N 0.51 0.59 -0.40 2.92 0.00 -0.92 -2.07 119.26 119.88 3fbu h ALA 103 Ca -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3fbu h ALA 103 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fbu h ALA 103 CO 0.04 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.53 3fbu h ALA 104 N 1.07 0.54 -0.83 0.00 0.00 -0.69 -1.21 119.26 118.14 3fbu h ALA 104 Ca 0.16 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3fbu h ALA 104 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3fbu h ALA 104 CO -0.02 0.23 0.54 0.37 0.00 0.00 0.00 179.25 180.37 3fbu h GLN 105 N 0.52 1.06 -0.06 0.00 4.15 -0.99 -0.11 115.11 119.68 3fbu h GLN 105 Ca 0.13 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3fbu h GLN 105 Cb 0.33 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3fbu h GLN 105 CO 0.00 0.70 -0.37 0.00 -1.93 0.00 0.00 178.83 177.23 3fbu h ALA 106 N 1.32 1.26 -0.28 3.38 0.00 -1.15 -1.35 119.26 122.44 3fbu h ALA 106 Ca 0.32 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3fbu h ALA 106 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fbu h ALA 106 CO -0.09 0.52 -0.27 1.15 0.00 0.00 0.00 179.25 180.57 3fbu h THR 107 N 0.11 1.30 -0.43 0.00 2.02 -0.68 -1.36 112.91 113.88 3fbu h THR 107 Ca 0.01 -1.44 0.05 0.00 0.77 0.00 0.00 66.41 65.80 3fbu h THR 107 Cb 0.72 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3fbu h THR 107 CO 0.05 0.46 0.17 -0.07 0.37 0.00 0.00 175.52 176.51 3fbu h LEU 108 N 0.42 0.22 -0.18 2.58 3.38 -0.75 0.17 115.31 121.15 3fbu h LEU 108 Ca 0.05 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3fbu h LEU 108 Cb 0.84 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3fbu h LEU 108 CO 0.07 0.16 0.02 0.50 0.09 0.00 0.00 178.44 179.28 3fbu h LYS 109 N 0.36 0.09 -0.23 1.13 3.64 -1.13 -0.88 116.57 119.54 3fbu h LYS 109 Ca 0.19 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3fbu h LYS 109 Cb 0.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3fbu h LYS 109 CO -0.18 0.06 0.10 -0.92 -2.27 0.00 0.00 179.45 176.24 3fbu h TYR 110 N 0.09 0.19 -0.61 1.91 3.20 -0.99 0.13 116.97 120.89 3fbu h TYR 110 Ca 0.08 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3fbu h TYR 110 Cb 0.09 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 3fbu h TYR 110 CO -0.15 0.10 0.32 0.78 -1.64 0.00 0.00 178.16 177.58 3fbu h GLY 111 N 0.22 0.88 0.18 1.82 0.00 -0.53 0.01 103.07 105.65 3fbu h GLY 111 Ca 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3fbu h GLY 111 CO -0.07 0.12 -0.33 0.74 0.00 0.00 0.00 176.54 177.00 3fbu h PHE 112 N 0.60 0.14 0.01 5.60 0.04 -1.03 -1.62 116.94 120.68 3fbu h PHE 112 Ca 0.28 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 3fbu h PHE 112 Cb 0.19 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3fbu h PHE 112 CO -0.09 1.13 -0.20 -0.22 -0.60 0.00 0.00 178.31 178.32 3fbu h LYS 113 N -0.83 0.12 0.06 1.51 3.64 -0.72 -2.89 116.57 117.47 3fbu h LYS 113 Ca -0.07 -0.14 -0.34 0.00 -1.27 0.00 0.00 60.65 58.83 3fbu h LYS 113 Cb 1.20 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3fbu h LYS 113 CO 0.02 0.92 -1.93 0.39 -2.27 0.00 0.00 179.45 176.59 3fbu n GLU 114 N -4.54 0.68 0.00 1.90 -0.58 -0.13 -4.35 120.64 113.62 3fbu n GLU 114 Ca -0.10 0.33 0.12 0.00 -0.42 0.00 0.00 57.16 57.09 3fbu n GLU 114 Cb 0.50 -1.67 0.28 0.00 -0.57 0.00 0.00 31.44 29.97 3fbu n GLU 114 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3fbu n MET 115 N -3.77 0.09 -3.52 3.49 2.81 -0.52 -4.95 117.12 110.75 3fbu n MET 115 Ca -0.36 -0.05 -0.26 0.00 -1.81 0.00 0.00 57.70 55.22 3fbu n MET 115 Cb 0.93 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.98 3fbu n MET 115 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3fbu n LYS 116 N -1.41 -5.82 -1.45 0.03 4.76 -0.79 -4.96 118.16 108.53 3fbu n LYS 116 Ca 0.06 0.73 -0.33 0.00 -2.87 0.00 0.00 58.31 55.91 3fbu n LYS 116 Cb 0.34 -5.64 0.08 0.00 -1.84 0.00 0.00 35.03 27.96 3fbu n LYS 116 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fbu s LEU 117 N -7.04 3.23 -0.08 -0.35 1.43 -0.68 -4.99 118.68 110.20 3fbu s LEU 117 Ca 0.52 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 3fbu s LEU 117 Cb -0.25 -4.55 -0.26 0.00 0.03 0.00 0.00 46.19 41.16 3fbu s LEU 117 CO 0.64 -2.01 0.54 -0.74 0.23 0.00 0.00 176.35 175.01 3fbu h HIS 118 N -0.53 0.37 -2.20 0.29 -0.00 -1.48 -3.42 115.15 108.18 3fbu h HIS 118 Ca -0.46 -0.27 -0.07 0.00 -0.00 0.00 0.00 60.37 59.57 3fbu h HIS 118 Cb 1.25 -0.01 -0.20 0.00 -0.00 0.00 0.00 27.41 28.44 3fbu h HIS 118 CO 0.53 1.52 0.07 0.50 -0.00 0.00 0.00 177.93 180.55 3fbu s ARG 119 N -2.58 0.87 -0.03 5.26 3.52 -1.14 -0.79 118.95 124.06 3fbu s ARG 119 Ca -0.15 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 3fbu s ARG 119 Cb 0.07 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3fbu s ARG 119 CO 0.80 -0.20 -0.09 0.42 -0.81 0.00 0.00 175.30 175.42 3fbu s ILE 120 N -0.48 0.82 0.26 4.11 1.01 -0.30 -2.02 121.20 124.60 3fbu s ILE 120 Ca -0.06 -0.36 0.12 0.00 0.00 0.00 0.00 60.65 60.35 3fbu s ILE 120 Cb -0.03 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 3fbu s ILE 120 CO 0.05 0.26 -0.19 0.27 0.00 0.00 0.00 174.94 175.33 3fbu s ILE 121 N 0.34 2.54 0.07 2.92 -5.25 0.14 -1.15 121.20 120.82 3fbu s ILE 121 Ca -0.06 -2.28 -0.08 0.00 -0.99 0.00 0.00 60.65 57.24 3fbu s ILE 121 Cb -0.10 -2.31 -0.00 0.00 2.95 0.00 0.00 42.46 42.99 3fbu s ILE 121 CO 0.01 -0.33 0.18 0.00 -1.79 0.00 0.00 174.94 173.01 3fbu s ALA 122 N -2.30 -0.21 0.10 2.27 0.00 -0.46 -0.96 121.76 120.20 3fbu s ALA 122 Ca 0.28 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.70 3fbu s ALA 122 Cb -0.06 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3fbu s ALA 122 CO 0.14 -0.46 -0.08 0.95 0.00 0.00 0.00 175.76 176.31 3fbu s THR 123 N -3.54 0.81 0.23 0.00 -4.23 -1.26 0.01 115.64 107.67 3fbu s THR 123 Ca 0.03 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 58.57 3fbu s THR 123 Cb 0.04 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.46 3fbu s THR 123 CO -0.09 -0.69 0.71 0.00 -0.54 0.00 0.00 174.62 174.01 3fbu s GLN 125 N -3.81 4.64 0.56 0.00 1.11 -1.26 -0.45 119.66 120.45 3fbu s GLN 125 Ca 0.08 1.55 0.28 0.00 0.01 0.00 0.00 55.36 57.28 3fbu s GLN 125 Cb -0.04 -3.05 1.48 0.00 -1.01 0.00 0.00 33.01 30.38 3fbu s GLN 125 CO 0.01 0.29 1.97 -1.35 0.01 0.00 0.00 175.29 176.22 3fbu h PRO 126 N 3.62 0.00 0.00 2.91 0.11 -1.93 0.87 132.00 137.59 3fbu h PRO 126 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fbu h PRO 126 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fbu h PRO 126 CO 0.66 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.38 3fbu h GLU 127 N 0.00 0.00 -3.34 1.05 3.07 -1.95 -3.37 114.58 110.04 3fbu h GLU 127 Ca 0.23 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.35 3fbu h GLU 127 Cb 1.06 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.85 3fbu h GLU 127 CO -0.00 0.00 2.40 -1.71 -1.40 0.00 0.00 179.01 178.30 3fbu n ASN 128 N -2.67 5.80 -0.23 1.42 2.85 0.30 -4.82 115.26 117.91 3fbu n ASN 128 Ca 0.02 -3.04 0.03 0.00 -0.11 0.00 0.00 54.58 51.48 3fbu n ASN 128 Cb 0.32 -1.48 0.15 0.00 1.24 0.00 0.00 39.78 40.01 3fbu n ASN 128 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3fbu h THR 129 N 3.48 0.61 -0.12 -0.44 2.02 -1.82 -1.42 112.91 115.23 3fbu h THR 129 Ca 0.52 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 3fbu h THR 129 Cb 0.54 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3fbu h THR 129 CO 1.65 0.06 -0.03 -0.65 0.37 0.00 0.00 175.52 176.92 3fbu h PRO 130 N 0.32 0.17 0.23 6.66 0.11 -1.97 -1.47 132.00 136.05 3fbu h PRO 130 Ca 0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 3fbu h PRO 130 Cb 0.58 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3fbu h PRO 130 CO -0.43 0.22 -0.11 1.03 -0.21 0.00 0.00 178.00 178.49 3fbu h SER 131 N 0.17 -0.26 1.02 -2.05 0.87 -1.66 -2.15 113.55 109.48 3fbu h SER 131 Ca 0.04 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3fbu h SER 131 Cb 0.17 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3fbu h SER 131 CO 0.01 0.13 -0.20 0.10 -0.53 0.00 0.00 176.83 176.33 3fbu h TYR 132 N -0.70 0.00 -0.74 2.24 -0.00 -1.45 -1.75 116.97 114.57 3fbu h TYR 132 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.63 3fbu h TYR 132 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.18 3fbu h TYR 132 CO 0.04 0.20 0.21 0.00 -0.00 0.00 0.00 178.16 178.61 3fbu h ARG 133 N 0.00 1.15 -0.43 0.10 3.08 -1.18 -0.38 114.38 116.73 3fbu h ARG 133 Ca -0.00 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3fbu h ARG 133 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3fbu h ARG 133 CO 0.03 0.99 0.21 0.28 -1.07 0.00 0.00 179.97 180.41 3fbu h VAL 134 N 1.10 1.17 -0.82 2.04 2.07 -0.95 -1.13 116.25 119.74 3fbu h VAL 134 Ca 0.24 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3fbu h VAL 134 Cb 0.33 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3fbu h VAL 134 CO -0.00 0.19 0.49 0.24 0.02 0.00 0.00 177.57 178.50 3fbu h MET 135 N 0.55 0.85 -0.32 1.57 2.86 -0.89 -1.57 114.93 117.99 3fbu h MET 135 Ca 0.15 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.56 3fbu h MET 135 Cb 0.10 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3fbu h MET 135 CO -0.02 0.56 -0.51 0.93 1.06 0.00 0.00 176.91 178.94 3fbu h GLU 136 N 0.88 0.90 -0.61 1.72 5.08 -0.87 -0.92 114.58 120.76 3fbu h GLU 136 Ca 0.37 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3fbu h GLU 136 Cb 0.22 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3fbu h GLU 136 CO -0.19 1.19 0.34 -0.22 -1.00 0.00 0.00 179.01 179.12 3fbu h LYS 137 N 0.70 0.83 -0.23 2.33 3.64 -0.68 -2.20 116.57 120.97 3fbu h LYS 137 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3fbu h LYS 137 Cb 1.11 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3fbu h LYS 137 CO 0.12 0.61 0.00 0.44 -2.27 0.00 0.00 179.45 178.34 3fbu n ILE 138 N -4.39 0.29 -0.01 2.00 -5.35 -0.64 -4.92 119.36 106.35 3fbu n ILE 138 Ca 0.06 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3fbu n ILE 138 Cb 0.09 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3fbu n ILE 138 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fbu n GLY 139 N 1.07 0.90 3.79 3.28 0.00 -0.83 -4.98 105.19 108.42 3fbu n GLY 139 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3fbu n GLY 139 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fbu s MET 140 N -0.99 4.24 -0.12 1.61 -1.94 -0.36 -4.85 119.30 116.90 3fbu s MET 140 Ca 0.00 1.36 -0.06 0.00 -1.71 0.00 0.00 55.69 55.29 3fbu s MET 140 Cb 0.00 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 3fbu s MET 140 CO 0.00 -0.05 0.09 1.03 -0.01 0.00 0.00 175.02 176.08 3fbu s ARG 141 N -2.62 3.41 -0.36 2.03 0.52 0.61 -4.40 118.95 118.13 3fbu s ARG 141 Ca 0.58 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.25 3fbu s ARG 141 Cb -0.18 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3fbu s ARG 141 CO 0.23 0.67 1.39 0.50 0.02 0.00 0.00 175.30 178.10 3fbu s ARG 142 N -0.74 3.70 -0.03 3.54 3.52 -1.26 -0.90 118.95 126.78 3fbu s ARG 142 Ca 0.13 1.09 0.20 0.00 -0.13 0.00 0.00 55.73 57.01 3fbu s ARG 142 Cb -0.12 -3.98 -0.30 0.00 -1.56 0.00 0.00 34.95 28.99 3fbu s ARG 142 CO 0.03 -1.40 0.42 0.39 -0.81 0.00 0.00 175.30 173.93 3fbu n GLU 143 N 7.79 0.61 -3.85 5.12 1.02 0.66 -4.98 120.64 127.01 3fbu n GLU 143 Ca 0.16 -0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 3fbu n GLU 143 Cb 0.47 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 3fbu n GLU 143 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3fbu s GLY 144 N -4.32 0.04 -0.28 0.62 0.00 -0.98 -4.99 107.32 97.40 3fbu s GLY 144 Ca -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 3fbu s GLY 144 CO 0.82 -0.40 0.12 -0.47 0.00 0.00 0.00 173.10 173.17 3fbu s TYR 145 N -2.23 0.56 -0.22 1.90 5.04 -1.26 -1.23 117.35 119.91 3fbu s TYR 145 Ca -0.08 -0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 53.47 3fbu s TYR 145 Cb -0.03 -1.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 3fbu s TYR 145 CO -0.02 -0.81 0.12 -0.06 -1.34 0.00 0.00 175.55 173.44 3fbu s PHE 146 N 2.02 3.28 -0.18 4.97 0.08 0.49 -4.97 117.98 123.67 3fbu s PHE 146 Ca 0.08 0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.15 3fbu s PHE 146 Cb -0.16 -2.21 -0.05 0.00 -0.57 0.00 0.00 43.02 40.03 3fbu s PHE 146 CO -0.33 0.07 0.20 0.15 -0.10 0.00 0.00 175.22 175.21 3fbu s LYS 147 N 0.87 4.19 -1.36 0.44 1.02 -1.26 -1.16 119.74 122.48 3fbu s LYS 147 Ca 0.06 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.95 3fbu s LYS 147 Cb -0.13 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3fbu s LYS 147 CO 0.03 0.29 0.73 1.63 -0.92 0.00 0.00 175.35 177.11 3fbu n LYS 148 N 3.48 -4.92 -0.03 1.68 5.02 -1.22 -4.88 118.16 117.28 3fbu n LYS 148 Ca -0.14 0.60 0.05 0.00 -2.02 0.00 0.00 58.31 56.79 3fbu n LYS 148 Cb 0.52 -5.19 -0.16 0.00 -0.02 0.00 0.00 35.03 30.18 3fbu n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fbu s ILE 150 N -3.14 3.15 -0.04 0.00 -1.09 -0.75 -4.95 121.20 114.37 3fbu s ILE 150 Ca -0.08 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 3fbu s ILE 150 Cb 0.11 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 3fbu s ILE 150 CO 0.83 0.43 1.07 -2.16 -1.23 0.00 0.00 174.94 173.88 3fbu s PRO 151 N 1.45 4.45 -0.26 2.79 0.04 -1.26 -0.08 135.00 142.12 3fbu s PRO 151 Ca 0.05 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 3fbu s PRO 151 Cb -0.14 -3.50 0.08 0.00 0.04 0.00 0.00 34.50 30.98 3fbu s PRO 151 CO -0.05 -0.27 0.06 -1.58 0.04 0.00 0.00 177.00 175.20 3fbu s HIS 152 N 1.66 1.48 0.00 0.56 2.46 -0.18 -4.93 115.29 116.35 3fbu s HIS 152 Ca 0.52 -1.38 0.00 0.00 0.47 0.00 0.00 55.06 54.68 3fbu s HIS 152 Cb -0.22 -1.41 0.00 0.00 -0.13 0.00 0.00 32.58 30.82 3fbu s HIS 152 CO 0.23 -0.76 0.00 0.41 -2.47 0.00 0.00 174.74 172.15 3fbu n GLY 153 N 4.92 3.16 1.29 1.59 0.00 -1.26 -1.12 105.19 113.77 3fbu n GLY 153 Ca -0.06 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.31 3fbu n GLY 153 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fbu n ASN 154 N 6.87 3.78 -4.36 1.61 3.02 -1.26 -4.94 115.26 119.97 3fbu n ASN 154 Ca 0.00 -2.33 -0.18 0.00 -0.03 0.00 0.00 54.58 52.03 3fbu n ASN 154 Cb 0.00 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 3fbu n ASN 154 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fbu s GLU 155 N -1.76 1.44 -0.12 3.52 2.02 -0.27 -5.15 118.70 118.39 3fbu s GLU 155 Ca 0.40 -1.76 0.01 0.00 0.02 0.00 0.00 54.97 53.64 3fbu s GLU 155 Cb 0.25 -0.64 -0.01 0.00 0.10 0.00 0.00 34.13 33.83 3fbu s GLU 155 CO 0.19 -0.15 -0.15 -1.58 0.02 0.00 0.00 175.26 173.59 3fbu s TRP 156 N -3.43 2.75 0.18 1.61 0.52 -1.26 -1.01 118.94 118.29 3fbu s TRP 156 Ca 0.32 -0.68 0.06 0.00 0.02 0.00 0.00 56.10 55.82 3fbu s TRP 156 Cb 0.07 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 3fbu s TRP 156 CO 0.12 -0.22 0.12 -1.58 0.02 0.00 0.00 176.95 175.41 3fbu s TRP 157 N 0.26 3.10 0.58 -1.98 0.52 0.88 -4.74 118.94 117.57 3fbu s TRP 157 Ca -0.11 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 3fbu s TRP 157 Cb -0.16 -1.48 0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3fbu s TRP 157 CO 0.06 0.52 0.85 -0.51 0.02 0.00 0.00 176.95 177.89 3fbu s ASP 158 N -3.17 5.37 -0.07 2.95 1.01 -1.26 -0.76 116.67 120.73 3fbu s ASP 158 Ca 0.31 0.38 -0.03 0.00 0.71 0.00 0.00 52.55 53.92 3fbu s ASP 158 Cb -0.10 -1.31 0.04 0.00 1.01 0.00 0.00 42.92 42.56 3fbu s ASP 158 CO 0.23 -1.14 0.16 -1.61 0.21 0.00 0.00 175.17 173.02 3fbu s GLU 159 N -4.91 0.10 0.16 8.23 2.02 -0.31 -4.48 118.70 119.52 3fbu s GLU 159 Ca 0.55 0.42 -0.20 0.00 0.02 0.00 0.00 54.97 55.76 3fbu s GLU 159 Cb -0.10 -0.18 -0.08 0.00 0.10 0.00 0.00 34.13 33.87 3fbu s GLU 159 CO 0.42 -0.18 0.67 0.71 0.02 0.00 0.00 175.26 176.89 3fbu s TYR 160 N 1.31 3.74 -0.13 1.61 2.02 0.40 -0.38 117.35 125.91 3fbu s TYR 160 Ca -0.08 1.36 0.02 0.00 -0.37 0.00 0.00 57.07 58.00 3fbu s TYR 160 Cb -0.11 -2.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.88 3fbu s TYR 160 CO -0.06 0.45 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.73 3fbu s TYR 161 N -1.33 2.29 0.10 2.71 5.04 -0.36 -1.95 117.35 123.85 3fbu s TYR 161 Ca 0.37 -1.17 0.07 0.00 -2.44 0.00 0.00 57.07 53.90 3fbu s TYR 161 Cb -0.18 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.47 3fbu s TYR 161 CO 0.21 -0.58 -0.12 0.71 -1.34 0.00 0.00 175.55 174.43 3fbu s TYR 162 N 1.06 2.70 0.05 4.97 1.51 0.10 -0.24 117.35 127.50 3fbu s TYR 162 Ca -0.04 -0.17 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3fbu s TYR 162 Cb -0.15 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3fbu s TYR 162 CO -0.04 0.41 0.10 0.00 -1.11 0.00 0.00 175.55 174.90 3fbu s ALA 163 N -1.17 -0.00 -0.07 3.71 0.00 -0.08 -1.35 121.76 122.79 3fbu s ALA 163 Ca 0.20 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 3fbu s ALA 163 Cb -0.11 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3fbu s ALA 163 CO 0.12 -0.37 0.19 -1.50 0.00 0.00 0.00 175.76 174.20 3fbu s ILE 164 N -3.15 -0.01 0.11 0.00 2.07 -0.30 -0.28 121.20 119.64 3fbu s ILE 164 Ca -0.00 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 3fbu s ILE 164 Cb 0.02 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 3fbu s ILE 164 CO -0.07 0.01 0.21 -0.76 -1.91 0.00 0.00 174.94 172.42 3fbu s LEU 165 N 0.26 4.20 0.39 8.50 1.43 -1.26 -1.15 118.68 131.05 3fbu s LEU 165 Ca -0.01 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.33 3fbu s LEU 165 Cb -0.03 -2.81 0.88 0.00 0.03 0.00 0.00 46.19 44.27 3fbu s LEU 165 CO -0.01 0.12 1.94 -0.08 0.23 0.00 0.00 176.35 178.54 3fbu h GLU 166 N 2.69 0.58 0.00 1.70 4.22 -1.21 -1.57 114.58 121.00 3fbu h GLU 166 Ca -0.47 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3fbu h GLU 166 Cb 1.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fbu h GLU 166 CO 0.70 0.39 0.00 1.05 -2.18 0.00 0.00 179.01 178.97 3fbu h GLU 167 N 0.60 0.00 -0.00 1.92 4.11 -1.94 -3.51 114.58 115.76 3fbu h GLU 167 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 3fbu h GLU 167 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3fbu h GLU 167 CO -0.12 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.35