#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 0.67 -0.24 0.00 2.88 -1.26 -3.31 113.62 112.36 2fug n SER 4 Ca 0.00 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 2fug n SER 4 Cb 0.00 -0.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.99 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 1.04 -0.12 -3.46 4.64 -2.00 -2.82 113.55 110.83 2fug h SER 5 Ca 0.00 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2fug h SER 5 Cb 0.70 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2fug h SER 5 CO 0.00 1.01 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.62 2fug h GLU 6 N 1.03 0.01 -0.33 4.77 5.08 -1.98 -1.79 114.58 121.37 2fug h GLU 6 Ca 0.21 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2fug h GLU 6 Cb 0.38 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2fug h GLU 6 CO 0.00 0.01 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.45 2fug h ARG 7 N 0.01 -0.40 -0.53 2.33 2.43 -1.65 -2.28 114.38 114.29 2fug h ARG 7 Ca 0.06 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2fug h ARG 7 Cb 0.09 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2fug h ARG 7 CO -0.12 -0.26 0.21 1.49 -1.51 0.00 0.00 179.97 179.78 2fug h GLU 8 N -0.41 0.39 -0.51 0.20 4.57 -1.31 -1.51 114.58 116.01 2fug h GLU 8 Ca 0.10 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2fug h GLU 8 Cb 0.61 -0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 2fug h GLU 8 CO -0.54 0.26 -0.37 1.25 -1.18 0.00 0.00 179.01 178.44 2fug h LEU 9 N 0.40 -1.24 -0.50 1.64 5.85 -0.74 0.65 115.31 121.37 2fug h LEU 9 Ca 0.26 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.17 2fug h LEU 9 Cb 0.26 0.58 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2fug h LEU 9 CO -0.24 -0.33 0.20 1.88 -0.34 0.00 0.00 178.44 179.61 2fug h TYR 10 N -0.23 0.75 -0.89 1.25 0.05 -1.28 0.19 116.97 116.81 2fug h TYR 10 Ca 0.19 -0.06 0.19 0.00 0.05 0.00 0.00 58.73 59.11 2fug h TYR 10 Cb 0.56 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 38.00 2fug h TYR 10 CO -0.62 0.63 0.59 1.49 -1.05 0.00 0.00 178.16 179.20 2fug h GLU 11 N 0.66 0.44 -0.02 4.88 4.81 0.21 0.24 114.58 125.80 2fug h GLU 11 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2fug h GLU 11 Cb 0.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2fug h GLU 11 CO -0.01 0.29 -0.12 0.00 -0.73 0.00 0.00 179.01 178.44 2fug h ALA 12 N 1.61 0.04 -1.02 2.92 0.00 0.15 -3.09 119.26 119.88 2fug h ALA 12 Ca 0.47 -0.38 0.25 0.00 0.00 0.00 0.00 54.91 55.24 2fug h ALA 12 Cb 1.09 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2fug h ALA 12 CO -0.19 -0.04 0.64 2.35 0.00 0.00 0.00 179.25 182.02 2fug h TRP 13 N -0.51 0.76 -0.49 0.00 2.91 0.12 0.61 115.95 119.36 2fug h TRP 13 Ca -0.01 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 2fug h TRP 13 Cb 0.80 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2fug h TRP 13 CO 0.16 0.10 0.20 0.28 -1.03 0.00 0.00 178.44 178.15 2fug h VAL 14 N 0.48 1.21 0.64 2.65 2.07 -1.13 -0.84 116.25 121.34 2fug h VAL 14 Ca 0.59 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2fug h VAL 14 Cb 1.34 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2fug h VAL 14 CO -0.33 0.24 -0.31 -0.08 0.02 0.00 0.00 177.57 177.11 2fug h GLU 15 N 0.64 -0.83 -0.93 1.57 4.81 0.09 -0.83 114.58 119.11 2fug h GLU 15 Ca 0.16 0.06 0.27 0.00 -0.13 0.00 0.00 59.36 59.72 2fug h GLU 15 Cb 0.18 0.19 -0.16 0.00 0.63 0.00 0.00 28.75 29.59 2fug h GLU 15 CO -0.02 -0.51 0.25 1.25 -0.73 0.00 0.00 179.01 179.25 2fug h LEU 16 N -1.06 -0.03 0.92 1.64 7.12 -0.27 0.40 115.31 124.04 2fug h LEU 16 Ca -0.09 0.22 -0.05 0.00 0.13 0.00 0.00 57.88 58.10 2fug h LEU 16 Cb 0.70 0.31 0.01 0.00 -0.53 0.00 0.00 40.66 41.15 2fug h LEU 16 CO 0.15 -0.23 -0.44 -0.07 -0.13 0.00 0.00 178.44 177.71 2fug h LEU 17 N 0.15 -1.05 -0.88 2.25 3.38 -0.95 -1.97 115.31 116.23 2fug h LEU 17 Ca 0.61 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.92 2fug h LEU 17 Cb 1.31 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 42.17 2fug h LEU 17 CO -0.73 -0.72 0.25 -0.24 0.09 0.00 0.00 178.44 177.09 2fug n SER 18 N -5.61 0.10 0.45 -0.43 2.88 0.12 0.76 113.62 111.89 2fug n SER 18 Ca -0.16 1.48 -0.20 0.00 -1.33 0.00 0.00 58.87 58.66 2fug n SER 18 Cb 0.49 -0.63 -0.10 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.30 -0.85 0.66 6.55 -0.52 0.34 115.95 120.83 2fug h TRP 19 Ca 0.64 -0.02 0.21 0.00 0.95 0.00 0.00 58.89 60.68 2fug h TRP 19 Cb 1.54 0.46 -0.14 0.00 -0.86 0.00 0.00 29.16 30.16 2fug h TRP 19 CO -0.23 -0.74 0.20 0.52 -1.05 0.00 0.00 178.44 177.14 2fug h MET 20 N -1.22 0.20 -0.25 0.49 2.86 0.11 0.46 114.93 117.58 2fug h MET 20 Ca -0.11 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2fug h MET 20 Cb 0.97 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2fug h MET 20 CO 0.12 0.13 0.08 0.00 1.06 0.00 0.00 176.91 178.31 2fug h ARG 21 N 0.21 0.38 -0.16 1.72 3.08 -0.86 -1.10 114.38 117.65 2fug h ARG 21 Ca 0.51 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.53 2fug h ARG 21 Cb 1.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 2fug h ARG 21 CO -0.64 0.44 -0.09 1.49 -1.07 0.00 0.00 179.97 180.11 2fug h GLU 22 N 0.24 -0.08 -0.18 0.04 4.81 0.15 -2.08 114.58 117.47 2fug h GLU 22 Ca 0.08 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2fug h GLU 22 Cb 0.22 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2fug h GLU 22 CO -0.00 -0.05 0.02 -0.92 -0.73 0.00 0.00 179.01 177.32 2fug h TYR 23 N -0.08 0.26 0.01 0.92 5.03 -0.04 -1.78 116.97 121.28 2fug h TYR 23 Ca 0.09 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 2fug h TYR 23 Cb 0.22 -0.08 0.01 0.00 1.55 0.00 0.00 36.73 38.42 2fug h TYR 23 CO -0.23 0.26 -0.23 0.00 -1.32 0.00 0.00 178.16 176.64 2fug h ALA 24 N 1.76 0.01 -0.09 1.82 0.00 -0.73 -1.55 119.26 120.48 2fug h ALA 24 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2fug h ALA 24 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fug h ALA 24 CO 0.00 0.07 -0.33 0.37 0.00 0.00 0.00 179.25 179.37 2fug h GLN 25 N -0.60 0.17 -0.08 0.00 -0.00 -1.39 -1.34 115.11 111.86 2fug h GLN 25 Ca -0.03 -0.06 -0.17 0.00 -0.00 0.00 0.00 58.65 58.38 2fug h GLN 25 Cb 1.03 -0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.51 2fug h GLN 25 CO 0.04 0.49 -0.61 0.00 0.00 0.00 0.00 178.83 178.75 2fug h ALA 26 N 1.52 0.19 -0.33 3.38 0.00 -1.37 -3.31 119.26 119.34 2fug h ALA 26 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2fug h ALA 26 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2fug h ALA 26 CO 0.05 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.38 2fug n LYS 27 N -4.15 2.27 -1.83 0.00 4.76 -0.58 -4.95 118.16 113.68 2fug n LYS 27 Ca -0.09 -1.92 -0.11 0.00 -2.87 0.00 0.00 58.31 53.33 2fug n LYS 27 Cb 0.66 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.39 0.46 3.61 0.72 0.00 -0.59 -5.02 105.19 105.76 2fug n GLY 28 Ca 0.18 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.47 3.69 -0.13 1.61 0.11 -0.71 -5.04 120.40 117.46 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 -2.65 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 2fug s VAL 29 CO 0.00 0.32 1.10 -0.60 -3.33 0.00 0.00 175.10 172.59 2fug s ARG 30 N -1.65 4.34 -0.05 1.54 3.00 -1.21 -4.23 118.95 120.69 2fug s ARG 30 Ca 0.19 1.49 -0.06 0.00 -1.00 0.00 0.00 55.73 56.35 2fug s ARG 30 Cb -0.11 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.20 2fug s ARG 30 CO 0.10 -0.48 0.19 0.12 0.00 0.00 0.00 175.30 175.24 2fug s PHE 31 N 2.54 3.58 -0.12 5.12 2.19 -1.26 -0.91 117.98 129.13 2fug s PHE 31 Ca 0.50 0.50 -0.08 0.00 0.33 0.00 0.00 56.93 58.18 2fug s PHE 31 Cb -0.20 -1.93 0.04 0.00 -1.31 0.00 0.00 43.02 39.62 2fug s PHE 31 CO 0.16 0.68 0.30 -2.00 1.83 0.00 0.00 175.22 176.18 2fug s GLU 32 N -1.49 0.31 -0.14 10.12 2.12 -1.02 -4.98 118.70 123.61 2fug s GLU 32 Ca 0.22 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.77 2fug s GLU 32 Cb -0.13 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 2fug s GLU 32 CO 0.12 -0.10 1.19 0.21 -0.54 0.00 0.00 175.26 176.14 2fug s LYS 33 N 0.73 4.28 -0.05 4.30 2.20 -1.26 -2.34 119.74 127.61 2fug s LYS 33 Ca -0.05 1.60 -0.07 0.00 -0.36 0.00 0.00 55.97 57.09 2fug s LYS 33 Cb -0.06 -3.67 -0.29 0.00 -1.51 0.00 0.00 37.83 32.30 2fug s LYS 33 CO -0.05 -0.59 0.65 1.49 -0.36 0.00 0.00 175.35 176.49 2fug h GLU 34 N 7.79 0.32 -1.52 4.03 4.57 -0.46 -3.49 114.58 125.82 2fug h GLU 34 Ca -0.28 -0.54 0.08 0.00 -1.18 0.00 0.00 59.36 57.44 2fug h GLU 34 Cb 1.12 0.20 -0.26 0.00 -0.16 0.00 0.00 28.75 29.64 2fug h GLU 34 CO 0.94 1.21 0.53 0.00 -1.18 0.00 0.00 179.01 180.51 2fug s ALA 35 N -2.58 -2.00 0.22 2.92 0.00 -1.08 -4.99 121.76 114.25 2fug s ALA 35 Ca -0.15 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.62 2fug s ALA 35 Cb 0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2fug s ALA 35 CO 0.84 -0.23 0.39 -0.51 0.00 0.00 0.00 175.76 176.24 2fug s ASP 36 N -0.08 6.35 0.01 0.00 1.11 -1.26 -1.92 116.67 120.88 2fug s ASP 36 Ca 0.03 0.31 -0.36 0.00 0.18 0.00 0.00 52.55 52.71 2fug s ASP 36 Cb -0.04 -1.97 -0.15 0.00 1.07 0.00 0.00 42.92 41.84 2fug s ASP 36 CO -0.06 -0.07 1.59 0.49 1.18 0.00 0.00 175.17 178.30 2fug n PHE 37 N -0.94 2.00 -0.04 4.23 3.01 -0.17 -4.82 117.46 120.73 2fug n PHE 37 Ca -0.06 0.38 -0.06 0.00 1.01 0.00 0.00 57.45 58.72 2fug n PHE 37 Cb 0.55 -2.48 0.12 0.00 -0.01 0.00 0.00 39.48 37.66 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 6.35 0.64 0.00 -1.08 0.11 -1.96 0.13 132.00 136.19 2fug h PRO 38 Ca -0.47 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.37 2fug h PRO 38 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2fug h PRO 38 CO 0.88 0.85 0.34 -3.47 -0.21 0.00 0.00 178.00 176.39 2fug n ASP 39 N -4.10 0.00 0.00 -2.05 -0.08 -1.26 -1.28 116.55 107.79 2fug n ASP 39 Ca -0.00 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2fug n ASP 39 Cb 0.44 -0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.76 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 -1.14 0.00 -0.24 -0.67 -0.00 -0.24 -4.28 117.46 110.89 2fug n PHE 40 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 2fug n PHE 40 Cb 0.34 0.03 0.16 0.00 -0.00 0.00 0.00 39.48 40.02 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 0.65 -0.54 -2.13 2.04 0.34 0.18 117.51 118.05 2fug h ILE 41 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2fug h ILE 41 Cb 0.78 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2fug h ILE 41 CO 0.00 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 177.00 2fug n TYR 42 N -5.04 1.26 -2.37 1.37 4.01 -0.60 -4.89 117.16 110.90 2fug n TYR 42 Ca 0.12 -0.50 -0.36 0.00 -0.16 0.00 0.00 57.90 57.00 2fug n TYR 42 Cb 0.38 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.81 3.83 -0.17 -0.72 3.00 0.64 -5.01 118.95 118.71 2fug s ARG 43 Ca 0.43 1.63 -0.08 0.00 -1.00 0.00 0.00 55.73 56.71 2fug s ARG 43 Cb 0.28 -2.36 0.07 0.00 0.00 0.00 0.00 34.95 32.94 2fug s ARG 43 CO 0.21 -0.46 0.39 -1.64 0.00 0.00 0.00 175.30 173.80 2fug s MET 44 N -2.78 0.34 0.00 5.12 1.00 -1.26 -4.87 119.30 116.85 2fug s MET 44 Ca 0.64 0.86 0.00 0.00 0.00 0.00 0.00 55.69 57.18 2fug s MET 44 Cb -0.25 0.09 0.00 0.00 0.00 0.00 0.00 34.83 34.67 2fug s MET 44 CO 0.30 -0.20 0.00 -0.85 0.00 0.00 0.00 175.02 174.27 2fug n GLU 45 N 4.72 -1.71 -2.84 2.03 0.00 -1.26 -4.82 120.64 116.77 2fug n GLU 45 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.79 2fug n GLU 45 Cb 0.53 -2.55 0.04 0.00 0.00 0.00 0.00 31.44 29.46 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 -0.30 2.48 1.01 3.44 0.52 -1.26 -5.10 118.95 119.75 2fug s ARG 46 Ca 0.00 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.91 2fug s ARG 46 Cb 0.00 -2.59 0.20 0.00 0.52 0.00 0.00 34.95 33.07 2fug s ARG 46 CO 0.00 -0.68 1.17 -1.25 0.02 0.00 0.00 175.30 174.56 2fug s PRO 47 N -4.65 0.35 0.00 3.54 0.04 -1.26 -5.07 135.00 127.95 2fug s PRO 47 Ca 0.59 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2fug s PRO 47 Cb -0.09 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2fug s PRO 47 CO 0.37 -2.69 0.00 0.98 0.04 0.00 0.00 177.00 175.71 2fug n TYR 48 N -4.06 0.00 -0.76 0.56 4.19 -1.26 -4.96 117.16 110.87 2fug n TYR 48 Ca 0.10 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.38 2fug n TYR 48 Cb 0.59 0.00 0.09 0.00 0.49 0.00 0.00 39.34 40.52 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 2.18 -4.75 2.98 5.68 -1.26 -5.04 116.55 116.34 2fug n ASP 49 Ca 0.00 -2.72 -0.40 0.00 -0.50 0.00 0.00 54.79 51.17 2fug n ASP 49 Cb 0.00 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 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 -2.24 4.63 0.04 -2.12 0.20 -1.26 -5.01 118.68 112.93 2fug s LEU 50 Ca 0.21 2.00 -0.08 0.00 0.69 0.00 0.00 54.13 56.95 2fug s LEU 50 Cb 0.19 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.32 2fug s LEU 50 CO 0.02 0.11 1.15 -0.65 -0.29 0.00 0.00 176.35 176.68 2fug h PRO 51 N 4.14 -0.01 -5.38 0.98 0.11 -1.96 -3.45 132.00 126.43 2fug h PRO 51 Ca -0.45 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.01 2fug h PRO 51 Cb 1.20 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 2fug h PRO 51 CO 0.68 -0.00 -0.55 0.95 -0.21 0.00 0.00 178.00 178.86 2fug s THR 52 N -3.68 1.48 -0.41 -1.15 -4.23 -1.26 -5.02 115.64 101.37 2fug s THR 52 Ca -0.03 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.66 2fug s THR 52 Cb 0.03 -2.54 -0.25 0.00 1.34 0.00 0.00 72.50 71.08 2fug s THR 52 CO 0.17 0.00 0.58 0.35 -0.54 0.00 0.00 174.62 175.18 2fug n THR 53 N -1.11 0.00 -2.47 3.99 -2.24 -1.26 -4.94 114.28 106.26 2fug n THR 53 Ca -0.12 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 2fug n THR 53 Cb 0.67 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 -3.04 4.26 -0.03 2.28 2.07 -1.26 -1.00 121.20 124.47 2fug s ILE 54 Ca -0.01 1.59 0.03 0.00 -1.41 0.00 0.00 60.65 60.85 2fug s ILE 54 Cb 0.13 -4.02 -0.05 0.00 0.13 0.00 0.00 42.46 38.65 2fug s ILE 54 CO 0.77 0.02 0.02 0.80 -1.91 0.00 0.00 174.94 174.64 2fug n MET 55 N 4.99 3.01 -3.63 3.50 0.00 -0.91 -4.85 117.12 119.22 2fug n MET 55 Ca 0.10 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.70 57.53 2fug n MET 55 Cb 0.46 -1.09 -0.17 0.00 0.00 0.00 0.00 33.22 32.43 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 -2.11 0.09 0.46 1.12 2.01 -0.81 -2.46 115.64 113.94 2fug s THR 56 Ca -0.02 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.67 2fug s THR 56 Cb 0.01 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 2fug s THR 56 CO 0.15 -0.34 0.29 0.00 -0.69 0.00 0.00 174.62 174.02 2fug s ALA 57 N 2.05 3.98 0.25 7.40 0.00 0.49 0.32 121.76 136.25 2fug s ALA 57 Ca 0.03 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.04 2fug s ALA 57 Cb -0.16 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.36 2fug s ALA 57 CO -0.13 -0.26 0.76 -1.54 0.00 0.00 0.00 175.76 174.59 2fug s SER 58 N -4.07 -0.25 -0.21 0.00 1.04 -0.99 -1.55 113.70 107.67 2fug s SER 58 Ca 0.39 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2fug s SER 58 Cb 0.00 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.86 2fug s SER 58 CO 0.23 -1.26 -0.06 -0.76 0.98 0.00 0.00 173.24 172.37 2fug s LEU 59 N -2.92 2.28 0.29 2.42 1.43 -0.91 -2.44 118.68 118.83 2fug s LEU 59 Ca 0.11 -1.02 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 2fug s LEU 59 Cb -0.05 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2fug s LEU 59 CO 0.06 -0.21 0.18 -0.44 0.23 0.00 0.00 176.35 176.16 2fug s SER 60 N 1.46 5.17 0.00 2.29 0.01 -0.08 -1.85 113.70 120.70 2fug s SER 60 Ca -0.04 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2fug s SER 60 Cb -0.18 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2fug s SER 60 CO -0.07 -0.16 0.00 -0.90 0.41 0.00 0.00 173.24 172.53 2fug n ASP 61 N -1.18 0.00 -0.06 2.44 5.68 -0.93 -3.32 116.55 119.19 2fug n ASP 61 Ca -0.05 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.11 2fug n ASP 61 Cb 0.59 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.41 2.00 6.12 0.00 -1.89 -3.02 103.07 106.69 2fug h GLY 62 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2fug h GLY 62 CO 0.00 0.37 0.00 1.41 0.00 0.00 0.00 176.54 178.32 2fug h LEU 63 N 0.01 0.00 0.00 3.11 4.07 -1.94 -3.48 115.31 117.09 2fug h LEU 63 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2fug h LEU 63 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2fug h LEU 63 CO 0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 2fug n GLY 64 N 0.76 3.19 2.64 0.83 0.00 -1.14 -5.07 105.19 106.40 2fug n GLY 64 Ca 0.03 -1.07 -0.48 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.07 1.61 -0.58 -1.26 -3.23 120.64 115.10 2fug n GLU 65 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2fug n GLU 65 Cb 0.00 -1.07 0.02 0.00 -0.57 0.00 0.00 31.44 29.82 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 2.36 3.08 -0.03 3.49 0.02 -1.26 -2.18 135.00 140.49 2fug s PRO 66 Ca 0.76 1.71 0.04 0.00 0.02 0.00 0.00 61.00 63.53 2fug s PRO 66 Cb -1.07 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 31.55 2fug s PRO 66 CO 0.57 -1.09 0.87 1.97 -0.33 0.00 0.00 177.00 179.00 2fug n PHE 67 N -1.56 0.00 -3.50 6.54 1.16 -0.77 -4.64 117.46 114.68 2fug n PHE 67 Ca 0.13 -0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.40 2fug n PHE 67 Cb 0.50 -0.05 -0.05 0.00 -1.61 0.00 0.00 39.48 38.27 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 -0.80 -0.46 -0.09 5.98 1.98 -1.23 -4.57 118.68 119.50 2fug s LEU 68 Ca 0.06 0.67 0.02 0.00 -2.89 0.00 0.00 54.13 51.99 2fug s LEU 68 Cb 0.05 1.58 0.01 0.00 0.66 0.00 0.00 46.19 48.50 2fug s LEU 68 CO 0.01 -0.10 -0.14 -0.76 -1.89 0.00 0.00 176.35 173.47 2fug s LEU 69 N 1.84 1.67 -0.05 -0.68 1.43 0.11 -2.14 118.68 120.86 2fug s LEU 69 Ca -0.05 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2fug s LEU 69 Cb -0.04 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2fug s LEU 69 CO -0.16 0.02 -0.23 0.00 0.23 0.00 0.00 176.35 176.21 2fug s ALA 70 N 0.86 2.00 -0.25 4.21 0.00 -0.59 -0.84 121.76 127.15 2fug s ALA 70 Ca -0.10 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 2fug s ALA 70 Cb -0.15 -0.62 0.07 0.00 0.00 0.00 0.00 23.12 22.41 2fug s ALA 70 CO 0.01 0.39 0.65 0.16 0.00 0.00 0.00 175.76 176.97 2fug s ASP 71 N -0.14 -0.71 0.25 0.00 -4.77 -0.48 -0.38 116.67 110.43 2fug s ASP 71 Ca -0.03 1.33 0.07 0.00 -3.30 0.00 0.00 52.55 50.63 2fug s ASP 71 Cb -0.13 1.33 -0.04 0.00 -1.09 0.00 0.00 42.92 42.99 2fug s ASP 71 CO 0.03 -0.23 0.18 0.54 0.70 0.00 0.00 175.17 176.39 2fug s VAL 72 N 0.55 4.35 0.20 2.11 0.11 -1.03 -0.12 120.40 126.57 2fug s VAL 72 Ca -0.02 -1.45 -0.24 0.00 -2.93 0.00 0.00 61.98 57.35 2fug s VAL 72 Cb -0.05 -3.35 -0.08 0.00 -1.53 0.00 0.00 36.38 31.37 2fug s VAL 72 CO -0.02 -0.35 0.78 -0.94 -3.33 0.00 0.00 175.10 171.24 2fug s SER 73 N -3.81 7.30 0.71 3.54 1.04 -0.88 -4.90 113.70 116.70 2fug s SER 73 Ca 0.33 1.61 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 2fug s SER 73 Cb -0.08 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.57 2fug s SER 73 CO 0.24 0.13 1.18 -0.81 0.98 0.00 0.00 173.24 174.97 2fug n PRO 74 N 1.25 0.71 0.30 4.02 -0.04 -1.26 -4.88 135.00 135.12 2fug n PRO 74 Ca -0.04 0.31 0.17 0.00 -0.04 0.00 0.00 63.50 63.90 2fug n PRO 74 Cb 0.49 -2.42 0.88 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.04 0.00 -0.72 0.54 0.11 -1.97 -1.32 114.38 110.99 2fug h ARG 75 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2fug h ARG 75 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2fug h ARG 75 CO 0.50 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.29 2fug n HIS 76 N -3.06 0.96 -2.87 4.08 8.25 -1.26 -4.97 115.22 116.34 2fug n HIS 76 Ca -0.01 -0.48 -0.19 0.00 -0.26 0.00 0.00 57.72 56.78 2fug n HIS 76 Cb 0.35 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.03 4.30 0.37 -1.41 0.00 -0.50 -5.12 121.76 118.36 2fug s ALA 77 Ca 0.49 -1.55 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2fug s ALA 77 Cb 0.25 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2fug s ALA 77 CO 0.33 -0.46 0.17 0.21 0.00 0.00 0.00 175.76 176.02 2fug s LYS 78 N -4.51 2.34 -1.29 0.00 2.47 -1.26 -4.63 119.74 112.86 2fug s LYS 78 Ca 0.56 -1.63 -0.02 0.00 -1.56 0.00 0.00 55.97 53.31 2fug s LYS 78 Cb -0.10 -2.14 -0.00 0.00 -1.46 0.00 0.00 37.83 34.13 2fug s LYS 78 CO 0.35 0.02 0.67 1.28 0.16 0.00 0.00 175.35 177.83 2fug n LEU 79 N -1.21 -3.04 -4.74 5.43 4.32 -1.26 -4.84 117.00 111.65 2fug n LEU 79 Ca -0.02 -0.87 -0.39 0.00 -0.02 0.00 0.00 56.01 54.71 2fug n LEU 79 Cb 0.62 -2.59 0.03 0.00 -1.62 0.00 0.00 43.42 39.87 2fug n LEU 79 CO 0.44 0.41 0.99 0.29 -1.22 0.00 0.00 177.39 178.30 2fug n LYS 80 N -4.24 1.94 -3.53 3.23 5.02 -1.26 -5.01 118.16 114.32 2fug n LYS 80 Ca -0.27 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2fug n LYS 80 Cb 0.67 -2.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 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 -2.60 0.75 -0.16 1.97 3.03 -1.26 -4.95 118.95 115.73 2fug s ARG 81 Ca 0.66 -0.15 -0.01 0.00 2.03 0.00 0.00 55.73 58.26 2fug s ARG 81 Cb -0.44 0.35 -0.01 0.00 -1.03 0.00 0.00 34.95 33.82 2fug s ARG 81 CO 0.54 -0.30 -0.12 -1.50 -1.13 0.00 0.00 175.30 172.78 2fug s ILE 82 N -2.47 2.93 0.21 4.99 2.07 -0.69 -2.07 121.20 126.17 2fug s ILE 82 Ca 0.03 -0.68 0.11 0.00 -1.41 0.00 0.00 60.65 58.69 2fug s ILE 82 Cb -0.01 -2.26 -0.04 0.00 0.13 0.00 0.00 42.46 40.28 2fug s ILE 82 CO -0.05 0.50 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.47 2fug s GLY 83 N 0.77 1.74 0.04 1.50 0.00 0.83 -0.69 107.32 111.51 2fug s GLY 83 Ca -0.05 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.12 2fug s GLY 83 CO 0.01 -1.67 -0.24 1.08 0.00 0.00 0.00 173.10 172.28 2fug s LEU 84 N -2.92 2.16 -0.12 0.66 1.43 -0.13 -1.39 118.68 118.37 2fug s LEU 84 Ca 0.24 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 2fug s LEU 84 Cb -0.08 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.02 2fug s LEU 84 CO 0.13 0.22 0.29 -0.60 0.23 0.00 0.00 176.35 176.63 2fug s ARG 85 N -1.17 0.29 -0.39 1.70 3.00 -0.02 0.17 118.95 122.53 2fug s ARG 85 Ca 0.10 0.53 -0.10 0.00 -1.00 0.00 0.00 55.73 55.26 2fug s ARG 85 Cb -0.09 0.00 0.04 0.00 0.00 0.00 0.00 34.95 34.90 2fug s ARG 85 CO 0.02 -0.12 0.22 -0.51 0.00 0.00 0.00 175.30 174.91 2fug s LEU 86 N 0.87 4.83 1.08 -0.88 1.43 -0.48 -0.71 118.68 124.83 2fug s LEU 86 Ca -0.06 -1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 51.72 2fug s LEU 86 Cb -0.07 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.22 2fug s LEU 86 CO -0.06 -0.43 -0.00 -2.65 0.23 0.00 0.00 176.35 173.44 2fug n PRO 87 N 4.97 -1.27 0.00 1.29 -0.02 -1.26 -2.86 135.00 135.85 2fug n PRO 87 Ca -0.11 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 2fug n PRO 87 Cb 0.45 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.74 0.00 -3.91 -0.52 1.74 -1.26 -4.67 116.66 106.30 2fug n ARG 88 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 2fug n ARG 88 Cb 0.61 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 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 3.15 0.00 7.54 0.00 -1.14 -5.02 121.76 126.30 2fug s ALA 89 Ca 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.76 2fug s ALA 89 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2fug s ALA 89 CO 0.00 -2.03 0.07 -2.39 0.00 0.00 0.00 175.76 171.40 2fug n HIS 90 N 3.10 0.00 -3.61 0.00 1.44 -1.26 -4.67 115.22 110.23 2fug n HIS 90 Ca 0.07 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.53 2fug n HIS 90 Cb 0.33 -0.04 -0.17 0.00 0.12 0.00 0.00 29.99 30.23 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 0.16 -0.12 -0.07 0.61 1.01 -1.26 -5.07 121.20 116.46 2fug s ILE 91 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2fug s ILE 91 Cb 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.95 2fug s ILE 91 CO 0.00 -0.21 -0.17 -1.00 0.00 0.00 0.00 174.94 173.55 2fug s HIS 92 N 2.17 1.90 -0.07 3.97 3.76 -1.26 -1.38 115.29 124.37 2fug s HIS 92 Ca 0.03 -0.71 0.04 0.00 -0.15 0.00 0.00 55.06 54.27 2fug s HIS 92 Cb -0.15 -1.31 -0.02 0.00 1.11 0.00 0.00 32.58 32.20 2fug s HIS 92 CO -0.09 -0.30 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.80 2fug s LEU 93 N 0.43 2.46 -0.17 0.89 1.02 0.13 -4.98 118.68 118.45 2fug s LEU 93 Ca -0.14 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.67 2fug s LEU 93 Cb -0.16 -1.49 0.01 0.00 0.02 0.00 0.00 46.19 44.57 2fug s LEU 93 CO 0.05 0.27 -0.18 -1.00 0.02 0.00 0.00 176.35 175.52 2fug s HIS 94 N -0.31 2.77 -0.17 0.29 3.76 -1.26 -0.96 115.29 119.42 2fug s HIS 94 Ca 0.02 -1.34 -0.03 0.00 -0.15 0.00 0.00 55.06 53.56 2fug s HIS 94 Cb -0.13 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 2fug s HIS 94 CO 0.03 -0.64 -0.06 0.00 -0.85 0.00 0.00 174.74 173.21 2fug s ALA 95 N 1.06 2.85 0.42 -1.40 0.00 0.13 -4.49 121.76 120.33 2fug s ALA 95 Ca -0.01 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2fug s ALA 95 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2fug s ALA 95 CO -0.06 0.06 0.25 -1.01 0.00 0.00 0.00 175.76 174.99 2fug s HIS 96 N 0.65 2.57 -0.05 0.00 3.76 -0.63 -1.70 115.29 119.89 2fug s HIS 96 Ca -0.04 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.35 2fug s HIS 96 Cb -0.15 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 2fug s HIS 96 CO 0.02 0.06 -0.20 -0.47 -0.85 0.00 0.00 174.74 173.30 2fug s TYR 97 N -2.58 2.54 -0.04 1.40 5.04 -1.26 -2.35 117.35 120.10 2fug s TYR 97 Ca 0.42 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.67 2fug s TYR 97 Cb 0.02 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.73 2fug s TYR 97 CO 0.24 -0.01 -0.11 -1.21 -1.34 0.00 0.00 175.55 173.12 2fug s GLU 98 N -0.48 1.24 0.22 4.97 0.41 -0.66 -5.00 118.70 119.40 2fug s GLU 98 Ca 0.06 -0.37 -0.31 0.00 -0.41 0.00 0.00 54.97 53.93 2fug s GLU 98 Cb -0.12 -1.11 -0.11 0.00 -1.78 0.00 0.00 34.13 31.01 2fug s GLU 98 CO 0.01 0.11 1.65 -1.25 -0.49 0.00 0.00 175.26 175.29 2fug s PRO 99 N 0.28 4.15 0.00 0.39 0.04 -1.26 -0.40 135.00 138.20 2fug s PRO 99 Ca -0.06 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2fug s PRO 99 Cb -0.11 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2fug s PRO 99 CO 0.01 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.79 2fug n GLY 100 N 3.43 2.14 0.28 0.56 0.00 -1.26 -4.46 105.19 105.88 2fug n GLY 100 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.26 0.00 1.61 1.79 -2.02 -3.48 116.57 114.73 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 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2fug h LYS 101 CO 0.00 0.19 0.00 0.41 -1.08 0.00 0.00 179.45 178.97 2fug n GLY 102 N -1.44 -0.30 3.59 3.86 0.00 0.46 -4.86 105.19 106.50 2fug n GLY 102 Ca -0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 3.47 0.34 0.99 2.96 -1.26 -1.65 118.68 123.53 2fug s LEU 103 Ca 0.00 0.69 0.10 0.00 -0.22 0.00 0.00 54.13 54.69 2fug s LEU 103 Cb 0.00 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.39 2fug s LEU 103 CO 0.00 -1.71 -0.08 0.68 -1.32 0.00 0.00 176.35 173.92 2fug s VAL 104 N 6.46 2.31 -0.38 1.68 -7.23 -0.99 -0.37 120.40 121.88 2fug s VAL 104 Ca 0.63 -2.17 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2fug s VAL 104 Cb -0.14 -2.66 0.46 0.00 0.56 0.00 0.00 36.38 34.59 2fug s VAL 104 CO 0.29 -0.21 1.42 0.35 -0.31 0.00 0.00 175.10 176.64 2fug n THR 105 N -0.82 2.79 0.00 5.32 -2.24 0.16 -1.61 114.28 117.89 2fug n THR 105 Ca -0.05 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.99 2fug n THR 105 Cb 0.63 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.81 1.28 0.00 3.38 0.00 -1.26 -4.64 105.19 103.14 2fug n GLY 106 Ca 0.47 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.01 -3.00 1.61 5.02 -1.26 -5.00 118.16 116.54 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 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.01 5.00 0.70 -0.18 1.09 -1.26 -5.01 121.20 119.53 2fug s ILE 108 Ca -0.00 1.51 -0.15 0.00 -1.10 0.00 0.00 60.65 60.90 2fug s ILE 108 Cb 0.00 -4.07 0.02 0.00 -1.06 0.00 0.00 42.46 37.35 2fug s ILE 108 CO 0.01 0.19 1.18 -2.84 -0.10 0.00 0.00 174.94 173.38 2fug s PRO 109 N 1.16 2.38 -0.62 2.79 0.02 -1.26 -0.66 135.00 138.81 2fug s PRO 109 Ca 0.38 1.69 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 2fug s PRO 109 Cb -0.18 -1.87 0.16 0.00 0.02 0.00 0.00 34.50 32.63 2fug s PRO 109 CO 0.17 -1.63 0.44 -1.17 -0.33 0.00 0.00 177.00 174.47 2fug s LEU 110 N -4.96 5.27 0.37 -5.54 2.96 0.50 -4.74 118.68 112.54 2fug s LEU 110 Ca 0.73 -2.81 -0.01 0.00 -0.22 0.00 0.00 54.13 51.82 2fug s LEU 110 Cb -0.27 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2fug s LEU 110 CO 0.43 -0.38 0.59 0.42 -1.32 0.00 0.00 176.35 176.09 2fug s THR 111 N 0.01 5.06 0.17 3.68 -4.23 -1.26 -4.86 115.64 114.21 2fug s THR 111 Ca 0.16 -0.30 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 2fug s THR 111 Cb -0.20 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 69.88 2fug s THR 111 CO -0.04 -0.59 1.62 0.50 -0.54 0.00 0.00 174.62 175.57 2fug h LYS 112 N 0.74 -0.17 -0.08 3.99 3.64 -1.99 0.24 116.57 122.94 2fug h LYS 112 Ca -0.49 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2fug h LYS 112 Cb 1.21 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2fug h LYS 112 CO 0.62 -0.11 -0.46 0.93 -2.27 0.00 0.00 179.45 178.15 2fug h GLU 113 N -0.18 -0.50 -0.43 1.90 4.39 -1.99 -0.56 114.58 117.21 2fug h GLU 113 Ca 0.19 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.01 2fug h GLU 113 Cb 0.48 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 2fug h GLU 113 CO -0.51 -0.33 -0.31 -0.09 -1.16 0.00 0.00 179.01 176.61 2fug h ARG 114 N -0.52 -0.22 -0.09 2.33 2.43 -1.66 -0.14 114.38 116.51 2fug h ARG 114 Ca 0.02 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2fug h ARG 114 Cb 0.59 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2fug h ARG 114 CO -0.35 -0.14 -0.14 0.35 -1.51 0.00 0.00 179.97 178.17 2fug h PHE 115 N -0.23 -0.44 -0.91 2.20 3.57 0.15 0.59 116.94 121.88 2fug h PHE 115 Ca 0.19 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.95 2fug h PHE 115 Cb 0.53 0.20 -0.16 0.00 2.79 0.00 0.00 35.95 39.32 2fug h PHE 115 CO -0.54 -0.13 0.13 0.74 -2.23 0.00 0.00 178.31 176.28 2fug h PHE 116 N -0.11 0.16 -0.78 0.41 -1.00 -0.33 0.96 116.94 116.24 2fug h PHE 116 Ca 0.02 0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.88 2fug h PHE 116 Cb 0.16 0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 2fug h PHE 116 CO -0.61 -0.31 0.50 0.00 -1.61 0.00 0.00 178.31 176.28 2fug h ALA 117 N 1.86 1.02 0.36 2.45 0.00 -0.28 0.73 119.26 125.39 2fug h ALA 117 Ca 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 2fug h ALA 117 Cb 1.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2fug h ALA 117 CO -0.76 0.32 -0.17 1.25 0.00 0.00 0.00 179.25 179.88 2fug h LEU 118 N 0.98 -0.41 -0.87 0.00 5.85 0.31 -0.61 115.31 120.55 2fug h LEU 118 Ca 0.31 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.03 2fug h LEU 118 Cb -0.01 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2fug h LEU 118 CO -0.10 -0.09 0.49 0.00 -0.34 0.00 0.00 178.44 178.40 2fug h ALA 119 N -0.24 1.30 -0.72 1.25 0.00 -0.42 -0.09 119.26 120.34 2fug h ALA 119 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fug h ALA 119 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2fug h ALA 119 CO 0.08 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 2fug n ASP 120 N -4.77 0.00 -0.34 0.00 9.92 0.25 0.29 116.55 121.90 2fug n ASP 120 Ca 0.16 0.88 0.13 0.00 -0.53 0.00 0.00 54.79 55.43 2fug n ASP 120 Cb 0.37 -0.38 0.27 0.00 -0.64 0.00 0.00 41.12 40.73 2fug n ASP 120 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2fug h ARG 121 N 0.00 0.01 0.11 -1.24 2.47 -0.88 0.42 114.38 115.27 2fug h ARG 121 Ca 0.00 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2fug h ARG 121 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2fug h ARG 121 CO 0.00 0.01 -0.06 0.00 0.56 0.00 0.00 179.97 180.48 2fug h ALA 122 N 1.97 -0.15 -0.93 0.04 0.00 -0.85 -2.76 119.26 116.58 2fug h ALA 122 Ca 0.58 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2fug h ALA 122 Cb 1.15 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2fug h ALA 122 CO -0.92 -0.56 0.61 -0.09 0.00 0.00 0.00 179.25 178.29 2fug h ARG 123 N -0.21 1.17 -0.10 0.00 2.43 0.39 -1.16 114.38 116.90 2fug h ARG 123 Ca -0.02 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2fug h ARG 123 Cb 0.17 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 2fug h ARG 123 CO 0.03 0.77 -0.43 0.93 -1.51 0.00 0.00 179.97 179.76 2fug h GLU 124 N 1.20 -0.50 0.19 0.20 4.39 -0.44 -2.59 114.58 117.02 2fug h GLU 124 Ca 0.36 0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.82 2fug h GLU 124 Cb -0.05 0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2fug h GLU 124 CO -0.10 -0.33 -1.24 0.00 -1.16 0.00 0.00 179.01 176.18 2fug h ALA 125 N 0.05 -0.06 0.00 3.43 0.00 -1.37 -3.39 119.26 117.92 2fug h ALA 125 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2fug h ALA 125 Cb 0.64 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2fug h ALA 125 CO -0.38 0.62 -0.59 -0.07 0.00 0.00 0.00 179.25 178.83 2fug h LEU 126 N -0.13 0.00 -9.31 0.00 3.38 -1.31 -3.47 115.31 104.48 2fug h LEU 126 Ca -0.23 -0.19 -0.54 0.00 0.09 0.00 0.00 57.88 57.02 2fug h LEU 126 Cb 1.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.66 2fug h LEU 126 CO 0.19 0.09 1.25 0.00 0.09 0.00 0.00 178.44 180.06 2fug s ALA 127 N -3.17 3.50 -0.10 1.53 0.00 -0.97 -4.86 121.76 117.68 2fug s ALA 127 Ca 0.06 1.23 0.14 0.00 0.00 0.00 0.00 51.96 53.39 2fug s ALA 127 Cb 0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2fug s ALA 127 CO 0.71 -1.68 1.31 0.74 0.00 0.00 0.00 175.76 176.84 2fug h PHE 128 N 10.95 0.00 0.00 0.00 -1.00 -1.91 -3.50 116.94 121.48 2fug h PHE 128 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2fug h PHE 128 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 2fug h PHE 128 CO 0.95 0.61 0.00 0.00 -1.61 0.00 0.00 178.31 178.26