#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n SER 4 N 0.00 0.70 -0.19 0.00 2.88 -1.26 -3.29 113.62 112.46 2fug n SER 4 Ca 0.00 0.46 -0.05 0.00 -1.33 0.00 0.00 58.87 57.95 2fug n SER 4 Cb 0.00 -0.56 0.12 0.00 -0.75 0.00 0.00 64.21 63.02 2fug n SER 4 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2fug h SER 5 N 0.00 0.92 -0.02 -3.46 4.64 -2.00 -2.78 113.55 110.84 2fug h SER 5 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2fug h SER 5 Cb 0.71 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2fug h SER 5 CO 0.00 0.90 0.01 -0.33 -0.87 0.00 0.00 176.83 176.55 2fug h GLU 6 N 0.92 0.03 -0.40 4.77 5.08 -1.98 -1.85 114.58 121.15 2fug h GLU 6 Ca 0.19 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2fug h GLU 6 Cb 0.36 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 2fug h GLU 6 CO 0.00 0.02 -0.46 -0.09 -1.00 0.00 0.00 179.01 177.48 2fug h ARG 7 N 0.03 -0.34 -0.67 2.33 2.43 -1.65 -1.89 114.38 114.62 2fug h ARG 7 Ca 0.01 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2fug h ARG 7 Cb -0.00 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 2fug h ARG 7 CO -0.00 -0.23 0.36 1.49 -1.51 0.00 0.00 179.97 180.08 2fug h GLU 8 N -0.35 0.63 -0.25 0.20 4.57 -1.32 -1.91 114.58 116.15 2fug h GLU 8 Ca 0.12 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2fug h GLU 8 Cb 0.59 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.97 2fug h GLU 8 CO -0.58 0.42 -0.49 1.25 -1.18 0.00 0.00 179.01 178.43 2fug h LEU 9 N 0.65 -1.58 -0.39 1.64 5.85 -0.50 0.40 115.31 121.37 2fug h LEU 9 Ca 0.31 0.21 0.03 0.00 0.84 0.00 0.00 57.88 59.26 2fug h LEU 9 Cb 0.24 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 2fug h LEU 9 CO -0.21 -0.43 0.21 1.88 -0.34 0.00 0.00 178.44 179.55 2fug h TYR 10 N -0.47 0.38 -0.92 1.25 0.05 -1.32 0.28 116.97 116.22 2fug h TYR 10 Ca 0.08 0.02 0.24 0.00 0.05 0.00 0.00 58.73 59.11 2fug h TYR 10 Cb 0.63 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.20 2fug h TYR 10 CO -0.60 0.21 0.63 1.49 -1.05 0.00 0.00 178.16 178.84 2fug h GLU 11 N 0.42 0.20 0.00 4.88 4.81 -0.40 0.96 114.58 125.45 2fug h GLU 11 Ca 0.16 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2fug h GLU 11 Cb 0.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2fug h GLU 11 CO -0.10 0.13 -0.21 0.00 -0.73 0.00 0.00 179.01 178.10 2fug h ALA 12 N 1.58 0.02 -1.00 2.92 0.00 0.21 -3.17 119.26 119.82 2fug h ALA 12 Ca 0.46 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 55.12 2fug h ALA 12 Cb 1.48 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 2fug h ALA 12 CO -0.11 0.06 0.61 2.35 0.00 0.00 0.00 179.25 182.16 2fug h TRP 13 N -0.58 0.98 -0.66 0.00 2.91 0.18 0.36 115.95 119.14 2fug h TRP 13 Ca -0.03 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 2fug h TRP 13 Cb 0.99 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 2fug h TRP 13 CO 0.19 0.19 0.34 0.28 -1.03 0.00 0.00 178.44 178.40 2fug h VAL 14 N 0.67 1.22 0.43 2.65 2.07 -1.13 -0.04 116.25 122.12 2fug h VAL 14 Ca 0.58 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2fug h VAL 14 Cb 1.03 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2fug h VAL 14 CO -0.37 0.24 -0.21 -0.08 0.02 0.00 0.00 177.57 177.18 2fug h GLU 15 N 0.90 -0.56 -0.83 1.57 4.81 -0.51 -0.43 114.58 119.54 2fug h GLU 15 Ca 0.23 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.70 2fug h GLU 15 Cb 0.08 0.13 -0.14 0.00 0.63 0.00 0.00 28.75 29.45 2fug h GLU 15 CO -0.03 -0.26 0.12 1.25 -0.73 0.00 0.00 179.01 179.36 2fug h LEU 16 N -0.85 -0.18 0.77 1.64 7.12 -0.29 0.27 115.31 123.78 2fug h LEU 16 Ca -0.06 0.20 -0.04 0.00 0.13 0.00 0.00 57.88 58.12 2fug h LEU 16 Cb 0.56 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2fug h LEU 16 CO 0.10 -0.18 -0.39 -0.07 -0.13 0.00 0.00 178.44 177.77 2fug h LEU 17 N 0.15 -0.93 -0.98 2.25 3.38 -0.83 -2.15 115.31 116.20 2fug h LEU 17 Ca 0.49 0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.83 2fug h LEU 17 Cb 0.95 0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 2fug h LEU 17 CO -0.68 -0.65 0.22 -0.24 0.09 0.00 0.00 178.44 177.18 2fug n SER 18 N -5.55 0.06 0.35 -0.43 2.88 0.72 0.11 113.62 111.76 2fug n SER 18 Ca -0.14 1.65 -0.18 0.00 -1.33 0.00 0.00 58.87 58.86 2fug n SER 18 Cb 0.43 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 63.12 2fug n SER 18 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2fug h TRP 19 N 0.00 -1.28 -0.95 0.66 6.55 -0.31 0.48 115.95 121.09 2fug h TRP 19 Ca 0.68 -0.00 0.28 0.00 0.95 0.00 0.00 58.89 60.80 2fug h TRP 19 Cb 1.60 0.48 -0.14 0.00 -0.86 0.00 0.00 29.16 30.23 2fug h TRP 19 CO -0.31 -0.67 0.44 0.52 -1.05 0.00 0.00 178.44 177.37 2fug h MET 20 N -1.06 0.30 -0.23 0.49 2.86 0.20 0.58 114.93 118.08 2fug h MET 20 Ca -0.08 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2fug h MET 20 Cb 0.88 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2fug h MET 20 CO 0.03 0.20 -0.08 0.00 1.06 0.00 0.00 176.91 178.12 2fug h ARG 21 N 0.31 0.45 0.11 1.72 3.08 -0.87 -1.00 114.38 118.18 2fug h ARG 21 Ca 0.65 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.53 2fug h ARG 21 Cb 1.39 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 2fug h ARG 21 CO -0.61 0.71 -0.24 1.49 -1.07 0.00 0.00 179.97 180.25 2fug h GLU 22 N 0.18 -0.43 -0.12 0.04 4.81 0.19 -2.08 114.58 117.17 2fug h GLU 22 Ca 0.05 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2fug h GLU 22 Cb 0.56 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2fug h GLU 22 CO 0.03 -0.28 0.03 -0.92 -0.73 0.00 0.00 179.01 177.13 2fug h TYR 23 N -0.44 0.16 0.04 0.92 5.03 -0.02 -1.71 116.97 120.95 2fug h TYR 23 Ca 0.03 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2fug h TYR 23 Cb 0.47 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2fug h TYR 23 CO -0.23 0.15 -0.02 0.00 -1.32 0.00 0.00 178.16 176.74 2fug h ALA 24 N 1.87 -0.06 -0.10 1.82 0.00 -0.69 -1.46 119.26 120.64 2fug h ALA 24 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2fug h ALA 24 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fug h ALA 24 CO -0.00 -0.20 -0.21 0.37 0.00 0.00 0.00 179.25 179.21 2fug h GLN 25 N -0.73 0.17 -0.11 0.00 -0.00 -1.38 -1.50 115.11 111.56 2fug h GLN 25 Ca -0.01 -0.05 -0.15 0.00 -0.00 0.00 0.00 58.65 58.44 2fug h GLN 25 Cb 0.63 -0.02 0.01 0.00 0.00 0.00 0.00 27.48 28.10 2fug h GLN 25 CO 0.01 0.38 -0.53 0.00 0.00 0.00 0.00 178.83 178.69 2fug h ALA 26 N 1.63 0.22 -0.31 3.38 0.00 -1.34 -3.31 119.26 119.54 2fug h ALA 26 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2fug h ALA 26 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2fug h ALA 26 CO 0.03 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.33 2fug n LYS 27 N -4.20 2.20 -1.70 0.00 4.76 -0.55 -4.95 118.16 113.71 2fug n LYS 27 Ca -0.08 -1.81 -0.10 0.00 -2.87 0.00 0.00 58.31 53.45 2fug n LYS 27 Cb 0.61 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 2fug n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fug n GLY 28 N 1.35 0.63 3.60 0.72 0.00 -0.64 -5.02 105.19 105.83 2fug n GLY 28 Ca 0.18 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2fug n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fug s VAL 29 N -2.45 3.66 -0.17 1.61 0.11 -0.77 -5.05 120.40 117.34 2fug s VAL 29 Ca 0.00 -0.86 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 2fug s VAL 29 Cb 0.00 -2.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.23 2fug s VAL 29 CO 0.00 0.33 1.06 -0.60 -3.33 0.00 0.00 175.10 172.56 2fug s ARG 30 N -1.62 4.31 -0.03 1.54 3.00 -1.20 -4.22 118.95 120.74 2fug s ARG 30 Ca 0.19 1.42 -0.10 0.00 -1.00 0.00 0.00 55.73 56.23 2fug s ARG 30 Cb -0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 34.95 31.17 2fug s ARG 30 CO 0.10 -0.53 0.30 0.12 0.00 0.00 0.00 175.30 175.29 2fug s PHE 31 N 2.79 3.65 -0.09 5.12 2.19 -1.26 -1.26 117.98 129.13 2fug s PHE 31 Ca 0.47 0.76 -0.07 0.00 0.33 0.00 0.00 56.93 58.42 2fug s PHE 31 Cb -0.17 -2.11 0.03 0.00 -1.31 0.00 0.00 43.02 39.45 2fug s PHE 31 CO 0.12 0.66 0.22 -2.00 1.83 0.00 0.00 175.22 176.04 2fug s GLU 32 N -1.26 0.24 -0.22 10.12 2.12 -0.93 -4.99 118.70 123.78 2fug s GLU 32 Ca 0.22 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 2fug s GLU 32 Cb -0.14 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2fug s GLU 32 CO 0.11 -0.07 1.10 0.21 -0.54 0.00 0.00 175.26 176.08 2fug s LYS 33 N 0.42 4.23 -0.04 4.30 2.20 -1.26 -1.80 119.74 127.79 2fug s LYS 33 Ca -0.03 1.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.87 2fug s LYS 33 Cb -0.04 -3.68 -0.31 0.00 -1.51 0.00 0.00 37.83 32.29 2fug s LYS 33 CO -0.02 -0.68 0.69 1.49 -0.36 0.00 0.00 175.35 176.47 2fug h GLU 34 N 7.71 0.41 -1.64 4.03 4.57 -0.12 -3.49 114.58 126.04 2fug h GLU 34 Ca -0.21 -0.69 0.05 0.00 -1.18 0.00 0.00 59.36 57.33 2fug h GLU 34 Cb 1.07 0.26 -0.24 0.00 -0.16 0.00 0.00 28.75 29.67 2fug h GLU 34 CO 0.98 1.33 0.44 0.00 -1.18 0.00 0.00 179.01 180.58 2fug s ALA 35 N -2.58 -1.93 0.26 2.92 0.00 -1.00 -4.99 121.76 114.43 2fug s ALA 35 Ca -0.16 1.77 0.02 0.00 0.00 0.00 0.00 51.96 53.59 2fug s ALA 35 Cb 0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2fug s ALA 35 CO 0.86 -0.27 0.42 -0.51 0.00 0.00 0.00 175.76 176.26 2fug s ASP 36 N -0.24 6.33 0.01 0.00 1.11 -1.26 -1.95 116.67 120.67 2fug s ASP 36 Ca 0.01 0.27 -0.35 0.00 0.18 0.00 0.00 52.55 52.66 2fug s ASP 36 Cb -0.03 -1.95 -0.14 0.00 1.07 0.00 0.00 42.92 41.87 2fug s ASP 36 CO -0.02 -0.12 1.68 0.49 1.18 0.00 0.00 175.17 178.37 2fug n PHE 37 N -1.29 2.17 0.05 4.23 3.01 -0.30 -4.81 117.46 120.52 2fug n PHE 37 Ca -0.07 0.24 -0.03 0.00 1.01 0.00 0.00 57.45 58.61 2fug n PHE 37 Cb 0.56 -2.55 0.22 0.00 -0.01 0.00 0.00 39.48 37.70 2fug n PHE 37 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2fug h PRO 38 N 7.10 0.38 0.00 -1.08 0.11 -1.96 -0.66 132.00 135.89 2fug h PRO 38 Ca -0.47 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.49 2fug h PRO 38 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fug h PRO 38 CO 0.90 0.65 0.31 -3.47 -0.21 0.00 0.00 178.00 176.19 2fug n ASP 39 N -4.10 0.01 0.00 -2.05 -0.08 -1.26 -1.64 116.55 107.42 2fug n ASP 39 Ca -0.01 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2fug n ASP 39 Cb 0.42 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2fug n ASP 39 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2fug n PHE 40 N -1.22 0.00 -0.23 -0.67 -0.00 -0.38 -4.27 117.46 110.70 2fug n PHE 40 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 2fug n PHE 40 Cb 0.31 0.02 0.13 0.00 -0.00 0.00 0.00 39.48 39.95 2fug n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2fug h ILE 41 N 0.00 0.79 -0.47 -2.13 2.04 -0.26 -0.18 117.51 117.30 2fug h ILE 41 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2fug h ILE 41 Cb 0.80 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2fug h ILE 41 CO 0.00 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.02 2fug n TYR 42 N -4.93 0.63 -2.14 1.37 4.01 -0.71 -4.89 117.16 110.49 2fug n TYR 42 Ca 0.11 -0.31 -0.37 0.00 -0.16 0.00 0.00 57.90 57.16 2fug n TYR 42 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2fug n TYR 42 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2fug s ARG 43 N -1.37 3.57 -0.17 -0.72 3.00 -0.08 -5.00 118.95 118.18 2fug s ARG 43 Ca 0.35 1.87 -0.08 0.00 -1.00 0.00 0.00 55.73 56.87 2fug s ARG 43 Cb 0.18 -2.33 0.07 0.00 0.00 0.00 0.00 34.95 32.87 2fug s ARG 43 CO 0.25 -0.73 0.40 -1.64 0.00 0.00 0.00 175.30 173.57 2fug s MET 44 N -2.80 0.35 0.00 5.12 1.00 -1.26 -4.87 119.30 116.83 2fug s MET 44 Ca 0.66 0.86 0.00 0.00 0.00 0.00 0.00 55.69 57.22 2fug s MET 44 Cb -0.31 0.09 0.00 0.00 0.00 0.00 0.00 34.83 34.61 2fug s MET 44 CO 0.37 -0.20 0.00 -0.85 0.00 0.00 0.00 175.02 174.34 2fug n GLU 45 N 4.72 -1.41 -2.92 2.03 0.00 -1.26 -4.81 120.64 116.98 2fug n GLU 45 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.79 2fug n GLU 45 Cb 0.53 -2.68 0.05 0.00 0.00 0.00 0.00 31.44 29.33 2fug n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2fug s ARG 46 N -0.67 2.40 0.92 3.44 0.52 -1.26 -5.10 118.95 119.21 2fug s ARG 46 Ca 0.00 -1.36 -0.13 0.00 -0.52 0.00 0.00 55.73 53.72 2fug s ARG 46 Cb 0.00 -2.62 0.15 0.00 0.52 0.00 0.00 34.95 33.00 2fug s ARG 46 CO 0.00 -0.75 1.17 -1.25 0.02 0.00 0.00 175.30 174.49 2fug s PRO 47 N -4.65 1.04 0.00 3.54 0.04 -1.26 -5.08 135.00 128.64 2fug s PRO 47 Ca 0.60 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2fug s PRO 47 Cb -0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2fug s PRO 47 CO 0.38 -2.23 0.00 0.98 0.04 0.00 0.00 177.00 176.17 2fug n TYR 48 N -3.76 0.00 -0.50 0.56 4.19 -1.26 -4.97 117.16 111.42 2fug n TYR 48 Ca 0.09 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.34 2fug n TYR 48 Cb 0.60 0.00 0.07 0.00 0.49 0.00 0.00 39.34 40.49 2fug n TYR 48 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2fug n ASP 49 N 0.00 2.16 -4.76 2.98 5.68 -1.26 -5.04 116.55 116.30 2fug n ASP 49 Ca 0.00 -2.51 -0.39 0.00 -0.50 0.00 0.00 54.79 51.39 2fug n ASP 49 Cb 0.00 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 39.73 2fug n ASP 49 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2fug s LEU 50 N -1.87 4.48 0.00 -2.12 0.20 -1.26 -5.01 118.68 113.09 2fug s LEU 50 Ca 0.15 2.09 0.00 0.00 0.69 0.00 0.00 54.13 57.06 2fug s LEU 50 Cb 0.13 -3.77 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 2fug s LEU 50 CO 0.01 -0.11 0.96 -2.65 -0.29 0.00 0.00 176.35 174.27 2fug n PRO 51 N 0.97 0.00 -4.52 0.98 -0.02 -1.26 -4.85 135.00 126.31 2fug n PRO 51 Ca 0.00 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 62.13 2fug n PRO 51 Cb 0.47 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.41 2fug n PRO 51 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2fug s THR 52 N -2.83 1.76 -0.36 3.45 -4.23 -1.26 -5.02 115.64 107.15 2fug s THR 52 Ca 0.00 -1.90 0.20 0.00 -1.18 0.00 0.00 61.69 58.81 2fug s THR 52 Cb 0.00 -2.66 -0.28 0.00 1.34 0.00 0.00 72.50 70.90 2fug s THR 52 CO 0.00 0.00 0.59 0.35 -0.54 0.00 0.00 174.62 175.02 2fug n THR 53 N -1.18 0.00 -2.37 3.99 -2.24 -1.26 -4.93 114.28 106.28 2fug n THR 53 Ca -0.09 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2fug n THR 53 Cb 0.66 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 2fug n THR 53 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2fug s ILE 54 N -3.22 4.10 -0.05 2.28 2.07 -1.26 -1.15 121.20 123.97 2fug s ILE 54 Ca -0.02 1.42 0.05 0.00 -1.41 0.00 0.00 60.65 60.69 2fug s ILE 54 Cb 0.14 -3.91 -0.07 0.00 0.13 0.00 0.00 42.46 38.74 2fug s ILE 54 CO 0.84 -0.03 0.03 0.80 -1.91 0.00 0.00 174.94 174.66 2fug n MET 55 N 5.62 2.86 -3.66 3.50 0.00 -0.88 -4.85 117.12 119.71 2fug n MET 55 Ca 0.12 -0.01 -0.26 0.00 -0.00 0.00 0.00 57.70 57.56 2fug n MET 55 Cb 0.45 -1.14 -0.17 0.00 0.00 0.00 0.00 33.22 32.36 2fug n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2fug s THR 56 N -2.16 0.09 0.52 1.12 2.01 -0.82 -2.43 115.64 113.97 2fug s THR 56 Ca -0.03 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.83 2fug s THR 56 Cb 0.02 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.90 2fug s THR 56 CO 0.23 -0.18 0.24 0.00 -0.69 0.00 0.00 174.62 174.22 2fug s ALA 57 N 2.06 4.26 0.15 7.40 0.00 -0.06 0.62 121.76 136.19 2fug s ALA 57 Ca 0.02 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 2fug s ALA 57 Cb -0.16 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.60 2fug s ALA 57 CO -0.08 -0.27 0.88 -1.54 0.00 0.00 0.00 175.76 174.76 2fug s SER 58 N -4.10 -0.25 -0.23 0.00 1.04 -0.74 -2.19 113.70 107.23 2fug s SER 58 Ca 0.24 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2fug s SER 58 Cb -0.00 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.69 2fug s SER 58 CO 0.14 -0.94 -0.06 -0.76 0.98 0.00 0.00 173.24 172.60 2fug s LEU 59 N -2.85 2.57 0.27 2.42 1.43 -0.81 -2.19 118.68 119.52 2fug s LEU 59 Ca 0.10 -1.15 0.08 0.00 -1.03 0.00 0.00 54.13 52.13 2fug s LEU 59 Cb -0.02 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2fug s LEU 59 CO 0.00 -0.22 0.15 -0.44 0.23 0.00 0.00 176.35 176.07 2fug s SER 60 N 1.38 5.21 0.00 2.29 0.01 -0.39 -1.43 113.70 120.78 2fug s SER 60 Ca -0.05 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2fug s SER 60 Cb -0.19 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2fug s SER 60 CO -0.06 -0.07 0.00 -0.90 0.41 0.00 0.00 173.24 172.61 2fug n ASP 61 N -1.13 0.00 -0.04 2.44 5.68 -0.83 -3.24 116.55 119.43 2fug n ASP 61 Ca -0.07 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.09 2fug n ASP 61 Cb 0.58 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 2fug n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fug h GLY 62 N 0.00 0.24 2.00 6.12 0.00 -1.89 -3.12 103.07 106.42 2fug h GLY 62 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2fug h GLY 62 CO 0.00 0.22 -0.02 1.41 0.00 0.00 0.00 176.54 178.15 2fug h LEU 63 N -0.19 0.00 0.00 3.11 4.07 -1.94 -3.48 115.31 116.88 2fug h LEU 63 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2fug h LEU 63 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2fug h LEU 63 CO 0.02 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 2fug n GLY 64 N 0.51 3.52 1.84 0.83 0.00 -1.18 -5.07 105.19 105.64 2fug n GLY 64 Ca 0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2fug n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fug n GLU 65 N 0.00 0.00 -2.45 1.61 -0.58 -1.26 -3.39 120.64 114.57 2fug n GLU 65 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2fug n GLU 65 Cb 0.00 -0.75 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 2fug n GLU 65 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2fug s PRO 66 N 1.07 3.96 -0.05 3.49 0.02 -1.26 -1.97 135.00 140.25 2fug s PRO 66 Ca 0.51 1.57 0.07 0.00 0.02 0.00 0.00 61.00 63.16 2fug s PRO 66 Cb -0.72 -2.41 0.11 0.00 0.02 0.00 0.00 34.50 31.50 2fug s PRO 66 CO 0.37 -0.33 0.98 1.97 -0.33 0.00 0.00 177.00 179.66 2fug n PHE 67 N -0.38 0.00 -3.36 6.54 1.16 -0.51 -4.58 117.46 116.32 2fug n PHE 67 Ca 0.07 -0.50 0.02 0.00 -1.87 0.00 0.00 57.45 55.17 2fug n PHE 67 Cb 0.50 -0.08 -0.04 0.00 -1.61 0.00 0.00 39.48 38.25 2fug n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2fug s LEU 68 N -1.32 -0.45 -0.12 5.98 1.98 -1.21 -4.57 118.68 118.97 2fug s LEU 68 Ca 0.12 0.63 0.03 0.00 -2.89 0.00 0.00 54.13 52.01 2fug s LEU 68 Cb 0.10 1.52 0.01 0.00 0.66 0.00 0.00 46.19 48.48 2fug s LEU 68 CO 0.01 -0.09 -0.21 -0.76 -1.89 0.00 0.00 176.35 173.41 2fug s LEU 69 N 2.30 2.03 -0.02 -0.68 1.43 0.09 -1.93 118.68 121.90 2fug s LEU 69 Ca -0.02 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2fug s LEU 69 Cb -0.05 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 2fug s LEU 69 CO -0.17 0.10 -0.24 0.00 0.23 0.00 0.00 176.35 176.27 2fug s ALA 70 N 0.63 2.23 -0.27 4.21 0.00 -0.93 -1.08 121.76 126.54 2fug s ALA 70 Ca -0.12 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 2fug s ALA 70 Cb -0.16 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.42 2fug s ALA 70 CO 0.03 0.53 0.75 0.16 0.00 0.00 0.00 175.76 177.23 2fug s ASP 71 N -0.62 -0.74 0.21 0.00 -4.77 -0.55 -0.88 116.67 109.32 2fug s ASP 71 Ca 0.10 1.39 0.07 0.00 -3.30 0.00 0.00 52.55 50.81 2fug s ASP 71 Cb -0.10 1.40 -0.04 0.00 -1.09 0.00 0.00 42.92 43.09 2fug s ASP 71 CO -0.01 -0.24 0.10 0.54 0.70 0.00 0.00 175.17 176.26 2fug s VAL 72 N 0.51 4.12 0.25 2.11 0.11 -1.02 0.23 120.40 126.70 2fug s VAL 72 Ca -0.01 -1.38 -0.27 0.00 -2.93 0.00 0.00 61.98 57.39 2fug s VAL 72 Cb -0.05 -3.14 -0.09 0.00 -1.53 0.00 0.00 36.38 31.57 2fug s VAL 72 CO -0.02 -0.21 0.89 -0.94 -3.33 0.00 0.00 175.10 171.49 2fug s SER 73 N -3.34 7.48 0.76 3.54 1.04 -0.93 -4.89 113.70 117.36 2fug s SER 73 Ca 0.31 1.83 -0.15 0.00 0.48 0.00 0.00 55.95 58.41 2fug s SER 73 Cb -0.09 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.49 2fug s SER 73 CO 0.22 0.10 0.94 -0.81 0.98 0.00 0.00 173.24 174.67 2fug n PRO 74 N 1.22 0.34 0.31 4.02 -0.04 -1.26 -4.88 135.00 134.71 2fug n PRO 74 Ca -0.02 0.18 0.18 0.00 -0.04 0.00 0.00 63.50 63.80 2fug n PRO 74 Cb 0.48 -2.21 0.99 0.00 -0.04 0.00 0.00 33.50 32.72 2fug n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2fug h ARG 75 N -0.53 0.00 -0.72 0.54 0.11 -1.97 -2.11 114.38 109.71 2fug h ARG 75 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2fug h ARG 75 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2fug h ARG 75 CO 0.45 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.24 2fug n HIS 76 N -2.87 1.03 -2.98 4.08 8.25 -1.26 -4.97 115.22 116.49 2fug n HIS 76 Ca -0.02 -0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 56.74 2fug n HIS 76 Cb 0.17 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.26 2fug n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2fug s ALA 77 N -1.10 4.37 0.33 -1.41 0.00 -0.80 -5.12 121.76 118.03 2fug s ALA 77 Ca 0.49 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2fug s ALA 77 Cb 0.26 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2fug s ALA 77 CO 0.32 -0.34 0.13 0.21 0.00 0.00 0.00 175.76 176.07 2fug s LYS 78 N -4.41 2.38 -1.27 0.00 2.47 -1.26 -4.62 119.74 113.02 2fug s LYS 78 Ca 0.54 -1.53 -0.01 0.00 -1.56 0.00 0.00 55.97 53.42 2fug s LYS 78 Cb -0.10 -2.18 -0.00 0.00 -1.46 0.00 0.00 37.83 34.09 2fug s LYS 78 CO 0.34 0.14 0.77 1.28 0.16 0.00 0.00 175.35 178.04 2fug n LEU 79 N -1.13 -3.37 -4.66 5.43 4.32 -1.26 -4.86 117.00 111.46 2fug n LEU 79 Ca -0.03 -0.78 -0.39 0.00 -0.02 0.00 0.00 56.01 54.78 2fug n LEU 79 Cb 0.61 -2.77 0.03 0.00 -1.62 0.00 0.00 43.42 39.67 2fug n LEU 79 CO 0.43 0.39 0.74 0.29 -1.22 0.00 0.00 177.39 178.02 2fug n LYS 80 N -4.21 1.43 -3.57 3.23 5.02 -1.26 -5.01 118.16 113.78 2fug n LYS 80 Ca -0.29 0.52 -0.07 0.00 -2.02 0.00 0.00 58.31 56.46 2fug n LYS 80 Cb 0.67 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 2fug n LYS 80 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2fug s ARG 81 N -2.50 0.48 -0.15 1.97 3.03 -1.26 -4.96 118.95 115.56 2fug s ARG 81 Ca 0.69 -0.07 -0.01 0.00 2.03 0.00 0.00 55.73 58.37 2fug s ARG 81 Cb -0.47 0.22 -0.01 0.00 -1.03 0.00 0.00 34.95 33.66 2fug s ARG 81 CO 0.52 -0.19 -0.12 -1.50 -1.13 0.00 0.00 175.30 172.89 2fug s ILE 82 N -2.04 3.07 0.20 4.99 2.07 -0.74 -2.18 121.20 126.57 2fug s ILE 82 Ca 0.05 -0.64 0.11 0.00 -1.41 0.00 0.00 60.65 58.76 2fug s ILE 82 Cb -0.01 -2.31 -0.04 0.00 0.13 0.00 0.00 42.46 40.22 2fug s ILE 82 CO -0.04 0.51 -0.19 -0.83 -1.91 0.00 0.00 174.94 172.47 2fug s GLY 83 N 0.62 1.74 -0.02 1.50 0.00 0.14 -0.62 107.32 110.67 2fug s GLY 83 Ca -0.07 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 43.10 2fug s GLY 83 CO 0.03 -1.66 -0.25 1.08 0.00 0.00 0.00 173.10 172.30 2fug s LEU 84 N -2.85 2.05 -0.09 0.66 1.43 0.23 -1.48 118.68 118.62 2fug s LEU 84 Ca 0.23 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2fug s LEU 84 Cb -0.08 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.91 2fug s LEU 84 CO 0.12 0.30 0.21 -0.60 0.23 0.00 0.00 176.35 176.62 2fug s ARG 85 N -0.58 0.16 -0.41 1.70 3.00 -0.24 0.64 118.95 123.22 2fug s ARG 85 Ca 0.09 0.48 -0.14 0.00 -1.00 0.00 0.00 55.73 55.16 2fug s ARG 85 Cb -0.10 -0.14 0.03 0.00 0.00 0.00 0.00 34.95 34.74 2fug s ARG 85 CO -0.01 -0.17 0.28 -0.51 0.00 0.00 0.00 175.30 174.89 2fug s LEU 86 N 1.25 5.04 0.92 -0.88 1.43 -0.67 -0.73 118.68 125.04 2fug s LEU 86 Ca -0.09 -0.99 -0.13 0.00 -1.03 0.00 0.00 54.13 51.90 2fug s LEU 86 Cb -0.11 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.04 2fug s LEU 86 CO -0.08 -0.45 0.57 -2.65 0.23 0.00 0.00 176.35 173.97 2fug n PRO 87 N 5.11 -0.25 0.00 1.29 -0.02 -1.26 -3.03 135.00 136.84 2fug n PRO 87 Ca -0.11 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2fug n PRO 87 Cb 0.46 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2fug n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2fug n ARG 88 N -2.09 0.00 -3.94 -0.52 1.74 -1.26 -4.76 116.66 105.82 2fug n ARG 88 Ca 0.08 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 2fug n ARG 88 Cb 0.53 -2.04 -0.14 0.00 -1.02 0.00 0.00 32.46 29.78 2fug n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fug s ALA 89 N -0.00 3.06 0.00 7.54 0.00 -1.17 -5.02 121.76 126.18 2fug s ALA 89 Ca 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 48.96 2fug s ALA 89 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.04 2fug s ALA 89 CO 0.00 -1.93 0.20 -2.39 0.00 0.00 0.00 175.76 171.64 2fug n HIS 90 N 3.47 0.00 -3.54 0.00 1.44 -1.26 -4.67 115.22 110.66 2fug n HIS 90 Ca 0.05 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.53 2fug n HIS 90 Cb 0.35 -0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.21 2fug n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2fug s ILE 91 N 0.15 -0.21 -0.04 0.61 1.01 -1.26 -5.07 121.20 116.40 2fug s ILE 91 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2fug s ILE 91 Cb 0.00 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 2fug s ILE 91 CO 0.00 -0.33 -0.24 -1.00 0.00 0.00 0.00 174.94 173.37 2fug s HIS 92 N 2.23 2.27 -0.07 3.97 3.76 -1.26 -1.67 115.29 124.52 2fug s HIS 92 Ca 0.06 -0.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2fug s HIS 92 Cb -0.16 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.05 2fug s HIS 92 CO -0.16 -0.14 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.88 2fug s LEU 93 N -0.31 1.95 -0.21 0.89 1.02 0.21 -4.98 118.68 117.24 2fug s LEU 93 Ca 0.02 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.69 2fug s LEU 93 Cb -0.12 -1.18 -0.00 0.00 0.02 0.00 0.00 46.19 44.91 2fug s LEU 93 CO 0.02 0.15 -0.08 -1.00 0.02 0.00 0.00 176.35 175.45 2fug s HIS 94 N 0.25 2.92 -0.17 0.29 3.76 -1.26 -0.60 115.29 120.47 2fug s HIS 94 Ca -0.12 -1.10 -0.05 0.00 -0.15 0.00 0.00 55.06 53.64 2fug s HIS 94 Cb -0.15 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2fug s HIS 94 CO 0.05 -0.61 0.00 0.00 -0.85 0.00 0.00 174.74 173.34 2fug s ALA 95 N 1.43 3.14 0.42 -1.40 0.00 0.21 -4.48 121.76 121.08 2fug s ALA 95 Ca 0.06 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2fug s ALA 95 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2fug s ALA 95 CO -0.06 0.14 0.21 -1.01 0.00 0.00 0.00 175.76 175.05 2fug s HIS 96 N 0.48 2.59 -0.05 0.00 3.76 -0.52 -1.80 115.29 119.74 2fug s HIS 96 Ca -0.01 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.36 2fug s HIS 96 Cb -0.14 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.54 2fug s HIS 96 CO 0.02 0.12 -0.17 -0.47 -0.85 0.00 0.00 174.74 173.39 2fug s TYR 97 N -2.59 2.62 -0.05 1.40 5.04 -1.26 -2.33 117.35 120.18 2fug s TYR 97 Ca 0.42 -0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 2fug s TYR 97 Cb 0.03 -1.62 0.01 0.00 0.35 0.00 0.00 41.96 40.73 2fug s TYR 97 CO 0.23 0.08 -0.09 -1.21 -1.34 0.00 0.00 175.55 173.22 2fug s GLU 98 N -0.58 1.24 0.21 4.97 0.41 -0.40 -5.00 118.70 119.55 2fug s GLU 98 Ca 0.08 -0.30 -0.32 0.00 -0.41 0.00 0.00 54.97 54.02 2fug s GLU 98 Cb -0.11 -1.10 -0.12 0.00 -1.78 0.00 0.00 34.13 31.02 2fug s GLU 98 CO 0.01 0.03 1.71 -0.35 -0.49 0.00 0.00 175.26 176.17 2fug n PRO 99 N 3.70 2.74 0.00 0.39 -0.04 -1.26 0.10 135.00 140.64 2fug n PRO 99 Ca -0.22 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2fug n PRO 99 Cb 0.52 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 2fug n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fug n GLY 100 N 3.92 2.12 0.28 0.55 0.00 -1.26 -4.48 105.19 106.33 2fug n GLY 100 Ca 0.16 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2fug n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fug h LYS 101 N 0.00 0.32 0.00 1.61 1.79 -2.02 -3.48 116.57 114.79 2fug h LYS 101 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2fug h LYS 101 Cb 0.00 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2fug h LYS 101 CO 0.00 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 2fug n GLY 102 N -1.44 -0.11 3.61 3.86 0.00 0.12 -4.86 105.19 106.35 2fug n GLY 102 Ca 0.01 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2fug n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fug s LEU 103 N 0.00 3.66 0.31 0.99 2.96 -1.26 -1.27 118.68 124.07 2fug s LEU 103 Ca 0.00 0.89 0.07 0.00 -0.22 0.00 0.00 54.13 54.88 2fug s LEU 103 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2fug s LEU 103 CO 0.00 -1.34 -0.06 0.68 -1.32 0.00 0.00 176.35 174.31 2fug s VAL 104 N 5.10 1.83 -0.41 1.68 -7.23 -0.98 -0.63 120.40 119.76 2fug s VAL 104 Ca 0.59 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2fug s VAL 104 Cb -0.14 -2.56 0.45 0.00 0.56 0.00 0.00 36.38 34.69 2fug s VAL 104 CO 0.30 -0.24 1.38 0.35 -0.31 0.00 0.00 175.10 176.58 2fug n THR 105 N -0.68 2.76 0.00 5.32 -2.24 0.57 -1.44 114.28 118.58 2fug n THR 105 Ca -0.05 -4.10 0.00 0.00 -2.27 0.00 0.00 64.05 57.62 2fug n THR 105 Cb 0.64 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2fug n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fug n GLY 106 N -0.70 1.51 0.00 3.38 0.00 -1.26 -4.59 105.19 103.52 2fug n GLY 106 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2fug n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fug n LYS 107 N 0.00 1.19 -3.09 1.61 5.02 -1.26 -5.02 118.16 116.61 2fug n LYS 107 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2fug n LYS 107 Cb 0.00 -0.91 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 2fug n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fug s ILE 108 N -1.65 5.05 0.62 -0.18 1.09 -1.26 -5.01 121.20 119.86 2fug s ILE 108 Ca 0.00 1.32 -0.17 0.00 -1.10 0.00 0.00 60.65 60.70 2fug s ILE 108 Cb 0.00 -3.99 -0.02 0.00 -1.06 0.00 0.00 42.46 37.39 2fug s ILE 108 CO 0.00 0.22 1.17 -2.84 -0.10 0.00 0.00 174.94 173.39 2fug s PRO 109 N 1.10 2.85 -0.65 2.79 0.02 -1.26 -0.31 135.00 139.54 2fug s PRO 109 Ca 0.34 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 62.99 2fug s PRO 109 Cb -0.17 -1.93 0.17 0.00 0.02 0.00 0.00 34.50 32.59 2fug s PRO 109 CO 0.15 -1.26 0.49 -1.17 -0.33 0.00 0.00 177.00 174.87 2fug s LEU 110 N -4.39 5.54 0.40 -5.54 2.96 0.20 -4.76 118.68 113.09 2fug s LEU 110 Ca 0.74 -2.75 -0.02 0.00 -0.22 0.00 0.00 54.13 51.88 2fug s LEU 110 Cb -0.27 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2fug s LEU 110 CO 0.36 -0.43 0.64 0.42 -1.32 0.00 0.00 176.35 176.02 2fug s THR 111 N 0.09 5.03 0.18 3.68 -4.23 -1.26 -4.88 115.64 114.24 2fug s THR 111 Ca 0.16 -0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 2fug s THR 111 Cb -0.19 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 69.90 2fug s THR 111 CO -0.04 -0.67 1.62 0.50 -0.54 0.00 0.00 174.62 175.49 2fug h LYS 112 N 0.56 -0.13 -0.06 3.99 3.64 -1.99 0.12 116.57 122.69 2fug h LYS 112 Ca -0.49 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2fug h LYS 112 Cb 1.21 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 2fug h LYS 112 CO 0.61 -0.09 -0.53 0.93 -2.27 0.00 0.00 179.45 178.11 2fug h GLU 113 N -0.14 -0.60 -0.48 1.90 4.39 -2.00 -1.10 114.58 116.56 2fug h GLU 113 Ca 0.21 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.04 2fug h GLU 113 Cb 0.46 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.15 2fug h GLU 113 CO -0.52 -0.40 -0.19 -0.09 -1.16 0.00 0.00 179.01 176.66 2fug h ARG 114 N -0.62 -0.08 -0.03 2.33 2.43 -1.68 0.17 114.38 116.91 2fug h ARG 114 Ca 0.02 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2fug h ARG 114 Cb 0.69 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2fug h ARG 114 CO -0.39 -0.05 -0.31 0.35 -1.51 0.00 0.00 179.97 178.07 2fug h PHE 115 N -0.08 -0.90 -0.78 2.20 3.57 -0.12 0.11 116.94 120.93 2fug h PHE 115 Ca 0.23 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.93 2fug h PHE 115 Cb 0.43 0.40 -0.14 0.00 2.79 0.00 0.00 35.95 39.43 2fug h PHE 115 CO -0.46 -0.32 -0.10 0.74 -2.23 0.00 0.00 178.31 175.94 2fug h PHE 116 N -0.36 -0.24 -0.93 0.41 -1.00 -0.55 1.15 116.94 115.42 2fug h PHE 116 Ca 0.01 0.06 0.09 0.00 2.81 0.00 0.00 57.97 60.94 2fug h PHE 116 Cb 0.40 0.23 -0.07 0.00 3.61 0.00 0.00 35.95 40.12 2fug h PHE 116 CO -0.48 -0.30 0.60 0.00 -1.61 0.00 0.00 178.31 176.52 2fug h ALA 117 N 1.76 1.56 0.01 2.45 0.00 -0.25 1.05 119.26 125.84 2fug h ALA 117 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2fug h ALA 117 Cb 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2fug h ALA 117 CO -0.75 0.26 -0.00 1.25 0.00 0.00 0.00 179.25 180.01 2fug h LEU 118 N 0.98 -0.01 -0.80 0.00 5.85 0.36 -1.58 115.31 120.10 2fug h LEU 118 Ca 0.42 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2fug h LEU 118 Cb 0.34 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2fug h LEU 118 CO -0.18 0.56 0.48 0.00 -0.34 0.00 0.00 178.44 178.95 2fug h ALA 119 N 0.41 1.11 0.22 1.25 0.00 0.99 -1.07 119.26 122.16 2fug h ALA 119 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2fug h ALA 119 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fug h ALA 119 CO 0.00 0.19 -0.17 0.22 0.00 0.00 0.00 179.25 179.49 2fug h ASP 120 N 0.87 -0.44 -0.84 0.00 3.58 0.12 0.20 116.42 119.91 2fug h ASP 120 Ca 0.36 0.03 0.21 0.00 0.42 0.00 0.00 57.03 58.05 2fug h ASP 120 Cb 0.21 0.14 -0.14 0.00 1.72 0.00 0.00 39.33 41.25 2fug h ASP 120 CO -0.19 -0.24 0.13 0.03 -2.88 0.00 0.00 179.24 176.10 2fug h ARG 121 N -0.37 0.15 -0.08 0.28 2.47 -1.13 0.36 114.38 116.07 2fug h ARG 121 Ca -0.03 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2fug h ARG 121 Cb 0.31 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2fug h ARG 121 CO 0.01 0.10 0.04 0.00 0.56 0.00 0.00 179.97 180.68 2fug h ALA 122 N 1.76 0.10 -0.66 0.04 0.00 -1.05 -2.38 119.26 117.08 2fug h ALA 122 Ca 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2fug h ALA 122 Cb 0.96 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2fug h ALA 122 CO -0.67 -0.33 0.38 -0.09 0.00 0.00 0.00 179.25 178.53 2fug h ARG 123 N -0.00 0.91 -0.29 0.00 2.43 0.15 -1.15 114.38 116.43 2fug h ARG 123 Ca 0.03 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2fug h ARG 123 Cb 0.13 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 2fug h ARG 123 CO -0.00 0.67 -0.20 0.93 -1.51 0.00 0.00 179.97 179.86 2fug h GLU 124 N 0.90 -0.17 0.10 0.20 4.39 -0.13 -2.59 114.58 117.28 2fug h GLU 124 Ca 0.23 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.75 2fug h GLU 124 Cb 0.01 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2fug h GLU 124 CO -0.04 -0.11 -0.94 0.00 -1.16 0.00 0.00 179.01 176.76 2fug h ALA 125 N 0.97 0.04 0.00 3.43 0.00 -1.34 -3.40 119.26 118.97 2fug h ALA 125 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2fug h ALA 125 Cb 0.41 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2fug h ALA 125 CO -0.40 0.50 -0.37 1.28 0.00 0.00 0.00 179.25 180.27 2fug n LEU 126 N -4.15 0.51 -4.66 0.00 4.77 -0.44 -4.90 117.00 108.12 2fug n LEU 126 Ca -0.19 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 2fug n LEU 126 Cb 0.79 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2fug n LEU 126 CO 0.42 -0.00 1.50 0.00 -1.33 0.00 0.00 177.39 177.98 2fug s ALA 127 N -3.07 3.61 -0.15 -1.18 0.00 -0.98 -4.87 121.76 115.13 2fug s ALA 127 Ca 0.10 1.19 0.16 0.00 0.00 0.00 0.00 51.96 53.41 2fug s ALA 127 Cb 0.16 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2fug s ALA 127 CO 0.66 -1.48 1.20 0.74 0.00 0.00 0.00 175.76 176.88 2fug h PHE 128 N 10.05 0.00 0.00 0.00 -1.00 -1.91 -3.50 116.94 120.58 2fug h PHE 128 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2fug h PHE 128 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2fug h PHE 128 CO 0.92 0.51 0.00 0.00 -1.61 0.00 0.00 178.31 178.13