#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug h SER 4 N 0.00 0.00 -0.73 0.00 0.87 -2.06 -3.18 113.55 108.45 2fug h SER 4 Ca 0.00 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2fug h SER 4 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2fug h SER 4 CO 0.00 0.02 0.31 0.77 -0.53 0.00 0.00 176.83 177.40 2fug h SER 5 N 0.00 0.99 -0.24 6.23 4.64 -2.00 -2.74 113.55 120.43 2fug h SER 5 Ca 0.00 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2fug h SER 5 Cb 0.76 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2fug h SER 5 CO 0.00 0.88 0.03 -0.33 -0.87 0.00 0.00 176.83 176.53 2fug h GLU 6 N 1.04 0.11 -0.27 4.77 5.08 -1.98 -1.79 114.58 121.53 2fug h GLU 6 Ca 0.25 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2fug h GLU 6 Cb 0.18 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 2fug h GLU 6 CO -0.02 0.07 -0.43 -0.09 -1.00 0.00 0.00 179.01 177.54 2fug h ARG 7 N 0.11 -0.39 -0.78 2.33 2.43 -1.64 -2.30 114.38 114.14 2fug h ARG 7 Ca 0.11 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2fug h ARG 7 Cb 0.12 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2fug h ARG 7 CO -0.16 -0.26 0.46 1.49 -1.51 0.00 0.00 179.97 179.98 2fug h GLU 8 N -0.41 0.79 -0.15 0.20 4.57 -1.28 -1.55 114.58 116.75 2fug h GLU 8 Ca 0.11 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2fug h GLU 8 Cb 0.60 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 2fug h GLU 8 CO -0.49 0.52 -0.44 1.25 -1.18 0.00 0.00 179.01 178.67 2fug h LEU 9 N 0.81 -1.38 -0.62 1.64 5.85 -0.75 0.43 115.31 121.29 2fug h LEU 9 Ca 0.35 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.25 2fug h LEU 9 Cb 0.23 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2fug h LEU 9 CO -0.20 -0.43 0.38 1.88 -0.34 0.00 0.00 178.44 179.73 2fug h TYR 10 N -0.49 0.82 -0.81 1.25 0.05 -1.31 0.20 116.97 116.67 2fug h TYR 10 Ca 0.07 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.04 2fug h TYR 10 Cb 0.63 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 2fug h TYR 10 CO -0.51 0.55 0.55 1.49 -1.05 0.00 0.00 178.16 179.19 2fug h GLU 11 N 0.84 0.31 0.01 4.88 4.81 -0.13 0.08 114.58 125.38 2fug h GLU 11 Ca 0.22 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2fug h GLU 11 Cb -0.03 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2fug h GLU 11 CO -0.04 0.21 -0.43 0.00 -0.73 0.00 0.00 179.01 178.01 2fug h ALA 12 N 1.63 0.04 -0.97 2.92 0.00 0.15 -3.15 119.26 119.88 2fug h ALA 12 Ca 0.41 -0.53 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2fug h ALA 12 Cb 1.11 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2fug h ALA 12 CO -0.12 0.22 0.61 2.35 0.00 0.00 0.00 179.25 182.31 2fug h TRP 13 N -0.33 0.84 -0.42 0.00 2.91 0.11 0.32 115.95 119.38 2fug h TRP 13 Ca -0.06 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 2fug h TRP 13 Cb 1.18 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 2fug h TRP 13 CO 0.17 0.20 0.21 0.28 -1.03 0.00 0.00 178.44 178.27 2fug h VAL 14 N 0.61 1.17 0.49 2.65 2.07 -1.14 -0.67 116.25 121.42 2fug h VAL 14 Ca 0.54 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2fug h VAL 14 Cb 1.04 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2fug h VAL 14 CO -0.29 0.18 -0.24 -0.08 0.02 0.00 0.00 177.57 177.16 2fug h GLU 15 N 0.54 -0.63 -0.82 1.57 4.81 -0.49 -0.35 114.58 119.20 2fug h GLU 15 Ca 0.15 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.62 2fug h GLU 15 Cb 0.09 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 29.48 2fug h GLU 15 CO -0.02 -0.35 0.13 1.25 -0.73 0.00 0.00 179.01 179.28 2fug h LEU 16 N -0.82 -0.16 0.73 1.64 7.12 -0.53 0.23 115.31 123.51 2fug h LEU 16 Ca -0.07 0.20 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 2fug h LEU 16 Cb 0.57 0.30 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2fug h LEU 16 CO 0.11 -0.16 -0.43 -0.07 -0.13 0.00 0.00 178.44 177.75 2fug h LEU 17 N 0.16 -1.09 -0.83 2.25 3.38 -0.90 -2.18 115.31 116.10 2fug h LEU 17 Ca 0.48 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.74 2fug h LEU 17 Cb 0.92 0.31 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 2fug h LEU 17 CO -0.66 -0.67 0.01 -0.24 0.09 0.00 0.00 178.44 176.97 2fug n SER 18 N -5.18 -0.10 0.22 -0.43 2.88 0.57 0.58 113.62 112.15 2fug n SER 18 Ca -0.13 1.41 -0.14 0.00 -1.33 0.00 0.00 58.87 58.67 2fug n SER 18 Cb 0.45 -0.51 -0.08 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.14 -0.94 0.66 6.55 -0.34 0.68 115.95 121.43 2fug h TRP 19 Ca 0.50 0.01 0.28 0.00 0.95 0.00 0.00 58.89 60.63 2fug h TRP 19 Cb 1.03 0.45 -0.16 0.00 -0.86 0.00 0.00 29.16 29.63 2fug h TRP 19 CO -0.43 -0.53 0.29 0.52 -1.05 0.00 0.00 178.44 177.24 2fug h MET 20 N -0.78 0.16 -0.25 0.49 2.86 0.73 0.72 114.93 118.86 2fug h MET 20 Ca -0.05 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2fug h MET 20 Cb 0.69 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2fug h MET 20 CO -0.07 0.11 -0.00 0.00 1.06 0.00 0.00 176.91 178.00 2fug h ARG 21 N 0.16 0.45 0.08 1.72 3.08 -0.76 -1.19 114.38 117.92 2fug h ARG 21 Ca 0.63 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.56 2fug h ARG 21 Cb 1.37 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 2fug h ARG 21 CO -0.71 0.62 -0.23 1.49 -1.07 0.00 0.00 179.97 180.07 2fug h GLU 22 N 0.22 -0.39 -0.31 0.04 4.81 0.26 -2.11 114.58 117.09 2fug h GLU 22 Ca 0.07 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2fug h GLU 22 Cb 0.42 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2fug h GLU 22 CO 0.01 -0.26 0.21 -0.92 -0.73 0.00 0.00 179.01 177.32 2fug h TYR 23 N -0.41 0.32 -0.01 0.92 5.03 -0.13 -1.41 116.97 121.28 2fug h TYR 23 Ca 0.04 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 2fug h TYR 23 Cb 0.45 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2fug h TYR 23 CO -0.23 0.20 -0.16 0.00 -1.32 0.00 0.00 178.16 176.64 2fug h ALA 24 N 1.82 0.03 0.00 1.82 0.00 -0.72 -1.18 119.26 121.03 2fug h ALA 24 Ca 0.13 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2fug h ALA 24 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fug h ALA 24 CO -0.03 0.01 -0.37 0.37 0.00 0.00 0.00 179.25 179.23 2fug h GLN 25 N -0.56 0.00 -0.02 0.00 -0.00 -1.35 -1.46 115.11 111.73 2fug h GLN 25 Ca -0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.42 2fug h GLN 25 Cb 0.89 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.39 2fug h GLN 25 CO 0.03 0.37 -0.80 0.00 0.00 0.00 0.00 178.83 178.43 2fug h ALA 26 N 1.63 0.12 -0.26 3.38 0.00 -1.28 -3.33 119.26 119.52 2fug h ALA 26 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2fug h ALA 26 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2fug h ALA 26 CO 0.05 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.45 2fug n LYS 27 N -4.04 2.26 -1.49 0.00 4.76 -0.45 -4.95 118.16 114.25 2fug n LYS 27 Ca -0.10 -1.89 -0.09 0.00 -2.87 0.00 0.00 58.31 53.36 2fug n LYS 27 Cb 0.77 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.45 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 1.38 0.81 3.72 0.72 0.00 -0.64 -5.03 105.19 106.15 2fug n GLY 28 Ca 0.18 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.36 4.28 -0.20 1.61 0.11 -0.69 -5.04 120.40 118.10 2fug s VAL 29 Ca 0.00 -0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 2fug s VAL 29 Cb 0.00 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 2fug s VAL 29 CO 0.00 0.27 1.03 -0.60 -3.33 0.00 0.00 175.10 172.47 2fug s ARG 30 N -1.92 4.29 -0.10 1.54 3.00 -1.14 -4.26 118.95 120.37 2fug s ARG 30 Ca 0.23 1.37 -0.11 0.00 -1.00 0.00 0.00 55.73 56.22 2fug s ARG 30 Cb -0.12 -3.62 -0.05 0.00 0.00 0.00 0.00 34.95 31.17 2fug s ARG 30 CO 0.15 -0.57 0.25 0.12 0.00 0.00 0.00 175.30 175.25 2fug s PHE 31 N 2.96 3.59 -0.05 5.12 2.19 -1.26 -0.53 117.98 130.00 2fug s PHE 31 Ca 0.45 0.66 -0.04 0.00 0.33 0.00 0.00 56.93 58.33 2fug s PHE 31 Cb -0.16 -2.14 0.02 0.00 -1.31 0.00 0.00 43.02 39.43 2fug s PHE 31 CO 0.09 0.57 0.14 -2.00 1.83 0.00 0.00 175.22 175.85 2fug s GLU 32 N -0.63 0.15 -0.20 10.12 2.12 -0.93 -4.99 118.70 124.34 2fug s GLU 32 Ca 0.17 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2fug s GLU 32 Cb -0.13 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2fug s GLU 32 CO 0.06 -0.04 1.04 0.21 -0.54 0.00 0.00 175.26 175.99 2fug s LYS 33 N 0.27 4.30 -0.05 4.30 2.20 -1.26 -2.03 119.74 127.46 2fug s LYS 33 Ca -0.02 1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 56.95 2fug s LYS 33 Cb -0.03 -3.62 -0.27 0.00 -1.51 0.00 0.00 37.83 32.40 2fug s LYS 33 CO -0.01 -0.56 0.64 1.49 -0.36 0.00 0.00 175.35 176.55 2fug h GLU 34 N 7.40 0.24 -1.51 4.03 4.57 -0.57 -3.49 114.58 125.25 2fug h GLU 34 Ca -0.22 -0.42 0.09 0.00 -1.18 0.00 0.00 59.36 57.63 2fug h GLU 34 Cb 1.08 0.15 -0.27 0.00 -0.16 0.00 0.00 28.75 29.56 2fug h GLU 34 CO 0.95 1.09 0.54 0.00 -1.18 0.00 0.00 179.01 180.41 2fug s ALA 35 N -2.59 -2.00 0.15 2.92 0.00 -1.07 -4.99 121.76 114.17 2fug s ALA 35 Ca -0.14 1.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 2fug s ALA 35 Cb 0.07 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 2fug s ALA 35 CO 0.82 -0.23 0.37 -0.51 0.00 0.00 0.00 175.76 176.21 2fug s ASP 36 N -0.06 6.45 -0.01 0.00 1.11 -1.26 -1.95 116.67 120.95 2fug s ASP 36 Ca 0.03 0.52 -0.38 0.00 0.18 0.00 0.00 52.55 52.90 2fug s ASP 36 Cb -0.04 -2.06 -0.17 0.00 1.07 0.00 0.00 42.92 41.71 2fug s ASP 36 CO -0.06 0.03 1.36 0.49 1.18 0.00 0.00 175.17 178.17 2fug n PHE 37 N -0.09 1.43 0.08 4.23 3.01 -0.33 -4.83 117.46 120.97 2fug n PHE 37 Ca -0.03 0.73 -0.04 0.00 1.01 0.00 0.00 57.45 59.11 2fug n PHE 37 Cb 0.52 -2.30 0.16 0.00 -0.01 0.00 0.00 39.48 37.85 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 4.65 0.26 0.00 -1.08 0.11 -1.96 -0.51 132.00 133.48 2fug h PRO 38 Ca -0.48 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.48 2fug h PRO 38 Cb 1.35 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2fug h PRO 38 CO 0.79 0.72 0.25 -3.47 -0.21 0.00 0.00 178.00 176.07 2fug n ASP 39 N -3.94 0.00 0.00 -2.05 -0.08 -1.26 -1.52 116.55 107.69 2fug n ASP 39 Ca -0.02 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2fug n ASP 39 Cb 0.56 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.85 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 -1.11 0.00 -0.30 -0.67 -0.00 -0.31 -4.27 117.46 110.80 2fug n PHE 40 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 2fug n PHE 40 Cb 0.25 0.06 0.23 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 0.74 -0.59 -2.13 2.04 -0.20 0.55 117.51 117.93 2fug h ILE 41 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2fug h ILE 41 Cb 0.79 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2fug h ILE 41 CO 0.00 0.12 0.00 -1.22 0.00 0.00 0.00 178.15 177.05 2fug n TYR 42 N -4.85 1.15 -2.36 1.37 4.01 -0.58 -4.90 117.16 111.00 2fug n TYR 42 Ca 0.17 -0.49 -0.37 0.00 -0.16 0.00 0.00 57.90 57.06 2fug n TYR 42 Cb 0.43 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.58 3.98 -0.18 -0.72 3.00 0.18 -5.01 118.95 118.63 2fug s ARG 43 Ca 0.44 1.71 -0.08 0.00 -1.00 0.00 0.00 55.73 56.79 2fug s ARG 43 Cb 0.26 -2.53 0.07 0.00 0.00 0.00 0.00 34.95 32.75 2fug s ARG 43 CO 0.24 -0.34 0.41 -1.64 0.00 0.00 0.00 175.30 173.97 2fug s MET 44 N -2.51 0.37 0.00 5.12 1.00 -1.26 -4.87 119.30 117.15 2fug s MET 44 Ca 0.60 0.88 0.00 0.00 0.00 0.00 0.00 55.69 57.17 2fug s MET 44 Cb -0.27 0.10 0.00 0.00 0.00 0.00 0.00 34.83 34.66 2fug s MET 44 CO 0.33 -0.19 0.00 -0.85 0.00 0.00 0.00 175.02 174.31 2fug n GLU 45 N 4.69 -1.13 -3.14 2.03 0.00 -1.26 -4.82 120.64 117.02 2fug n GLU 45 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.80 2fug n GLU 45 Cb 0.53 -2.96 0.02 0.00 0.00 0.00 0.00 31.44 29.03 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 -1.13 2.59 0.95 3.44 0.52 -1.26 -5.11 118.95 118.95 2fug s ARG 46 Ca 0.00 -1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 2fug s ARG 46 Cb 0.00 -2.64 0.17 0.00 0.52 0.00 0.00 34.95 33.00 2fug s ARG 46 CO 0.00 -0.48 1.18 -1.25 0.02 0.00 0.00 175.30 174.77 2fug s PRO 47 N -4.42 0.77 0.00 3.54 0.04 -1.26 -5.08 135.00 128.59 2fug s PRO 47 Ca 0.55 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2fug s PRO 47 Cb -0.07 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2fug s PRO 47 CO 0.34 -2.41 0.00 0.98 0.04 0.00 0.00 177.00 175.95 2fug n TYR 48 N -3.87 0.00 -0.86 0.56 4.19 -1.26 -4.97 117.16 110.96 2fug n TYR 48 Ca 0.09 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.38 2fug n TYR 48 Cb 0.59 0.00 0.13 0.00 0.49 0.00 0.00 39.34 40.55 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 2.45 -4.75 2.98 5.68 -1.26 -5.03 116.55 116.62 2fug n ASP 49 Ca 0.00 -2.87 -0.40 0.00 -0.50 0.00 0.00 54.79 51.02 2fug n ASP 49 Cb 0.00 -0.36 -0.06 0.00 -1.14 0.00 0.00 41.12 39.56 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 -2.51 4.61 0.00 -2.12 0.20 -1.26 -5.01 118.68 112.59 2fug s LEU 50 Ca 0.27 1.97 0.00 0.00 0.69 0.00 0.00 54.13 57.06 2fug s LEU 50 Cb 0.23 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.34 2fug s LEU 50 CO 0.03 0.11 0.98 -2.65 -0.29 0.00 0.00 176.35 174.53 2fug n PRO 51 N 1.37 0.00 -4.39 0.98 -0.02 -1.26 -4.83 135.00 126.85 2fug n PRO 51 Ca -0.02 0.96 -0.27 0.00 -2.02 0.00 0.00 63.50 62.15 2fug n PRO 51 Cb 0.47 -1.48 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.92 1.97 -0.44 3.45 -4.23 -1.26 -5.02 115.64 107.18 2fug s THR 52 Ca 0.00 -1.84 0.22 0.00 -1.18 0.00 0.00 61.69 58.89 2fug s THR 52 Cb 0.00 -2.81 -0.28 0.00 1.34 0.00 0.00 72.50 70.75 2fug s THR 52 CO 0.00 0.00 0.69 0.35 -0.54 0.00 0.00 174.62 175.12 2fug n THR 53 N -1.18 0.02 -2.40 3.99 -2.24 -1.26 -4.93 114.28 106.28 2fug n THR 53 Ca -0.05 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2fug n THR 53 Cb 0.66 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -3.30 4.08 -0.04 2.28 2.07 -1.26 -1.19 121.20 123.84 2fug s ILE 54 Ca -0.01 1.44 0.04 0.00 -1.41 0.00 0.00 60.65 60.71 2fug s ILE 54 Cb 0.15 -3.92 -0.06 0.00 0.13 0.00 0.00 42.46 38.76 2fug s ILE 54 CO 0.89 0.02 0.02 0.80 -1.91 0.00 0.00 174.94 174.76 2fug n MET 55 N 4.96 3.08 -3.65 3.50 0.00 -0.82 -4.83 117.12 119.36 2fug n MET 55 Ca 0.11 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 57.57 2fug n MET 55 Cb 0.46 -1.11 -0.17 0.00 0.00 0.00 0.00 33.22 32.39 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 -2.12 -0.03 0.49 1.12 2.01 -0.87 -2.36 115.64 113.87 2fug s THR 56 Ca -0.02 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2fug s THR 56 Cb 0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2fug s THR 56 CO 0.18 -0.10 0.16 0.00 -0.69 0.00 0.00 174.62 174.18 2fug s ALA 57 N 2.12 4.00 0.16 7.40 0.00 0.15 0.19 121.76 135.78 2fug s ALA 57 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2fug s ALA 57 Cb -0.15 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.75 2fug s ALA 57 CO -0.07 -0.19 0.82 -1.54 0.00 0.00 0.00 175.76 174.78 2fug s SER 58 N -3.99 -0.30 -0.26 0.00 1.04 -0.86 -2.08 113.70 107.24 2fug s SER 58 Ca 0.25 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2fug s SER 58 Cb 0.02 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.76 2fug s SER 58 CO 0.14 -0.99 -0.08 -0.76 0.98 0.00 0.00 173.24 172.53 2fug s LEU 59 N -2.82 3.37 0.23 2.42 1.43 -0.90 -2.20 118.68 120.21 2fug s LEU 59 Ca 0.09 -1.42 0.07 0.00 -1.03 0.00 0.00 54.13 51.83 2fug s LEU 59 Cb -0.03 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2fug s LEU 59 CO -0.01 -0.22 0.14 -0.44 0.23 0.00 0.00 176.35 176.05 2fug s SER 60 N 1.15 5.32 0.00 2.29 0.01 0.31 -1.54 113.70 121.25 2fug s SER 60 Ca -0.06 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2fug s SER 60 Cb -0.20 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2fug s SER 60 CO -0.06 0.00 0.00 -0.90 0.41 0.00 0.00 173.24 172.69 2fug n ASP 61 N -0.88 0.00 -0.06 2.44 5.68 -0.95 -2.89 116.55 119.89 2fug n ASP 61 Ca -0.08 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.09 2fug n ASP 61 Cb 0.57 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.35 2.00 6.12 0.00 -1.89 -2.97 103.07 106.68 2fug h GLY 62 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2fug h GLY 62 CO 0.00 0.25 -0.06 1.41 0.00 0.00 0.00 176.54 178.14 2fug h LEU 63 N 0.04 0.00 0.00 3.11 4.07 -1.94 -3.48 115.31 117.11 2fug h LEU 63 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2fug h LEU 63 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2fug h LEU 63 CO 0.01 0.06 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 2fug n GLY 64 N 0.52 3.51 2.01 0.83 0.00 -1.12 -5.08 105.19 105.86 2fug n GLY 64 Ca 0.02 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.36 1.61 -0.58 -1.26 -3.48 120.64 114.57 2fug n GLU 65 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2fug n GLU 65 Cb 0.00 -0.81 -0.02 0.00 -0.57 0.00 0.00 31.44 30.04 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 1.50 4.08 -0.05 3.49 0.02 -1.26 -2.25 135.00 140.53 2fug s PRO 66 Ca 0.56 1.75 0.07 0.00 0.02 0.00 0.00 61.00 63.40 2fug s PRO 66 Cb -0.80 -2.65 0.11 0.00 0.02 0.00 0.00 34.50 31.18 2fug s PRO 66 CO 0.43 -0.27 1.00 1.97 -0.33 0.00 0.00 177.00 179.80 2fug n PHE 67 N 0.05 0.00 -3.46 6.54 1.16 -0.59 -4.58 117.46 116.58 2fug n PHE 67 Ca 0.04 -0.58 0.01 0.00 -1.87 0.00 0.00 57.45 55.05 2fug n PHE 67 Cb 0.47 -0.08 -0.04 0.00 -1.61 0.00 0.00 39.48 38.22 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 -1.49 -0.60 -0.10 5.98 1.98 -1.23 -4.57 118.68 118.65 2fug s LEU 68 Ca 0.12 0.84 0.02 0.00 -2.89 0.00 0.00 54.13 52.23 2fug s LEU 68 Cb 0.10 1.71 0.01 0.00 0.66 0.00 0.00 46.19 48.68 2fug s LEU 68 CO 0.01 -0.12 -0.18 -0.76 -1.89 0.00 0.00 176.35 173.42 2fug s LEU 69 N 2.27 1.84 -0.02 -0.68 1.43 -0.06 -2.11 118.68 121.36 2fug s LEU 69 Ca -0.04 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 2fug s LEU 69 Cb -0.06 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2fug s LEU 69 CO -0.17 0.06 -0.21 0.00 0.23 0.00 0.00 176.35 176.26 2fug s ALA 70 N 0.77 1.72 -0.27 4.21 0.00 -0.88 -0.40 121.76 126.91 2fug s ALA 70 Ca -0.11 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 2fug s ALA 70 Cb -0.16 -0.45 0.08 0.00 0.00 0.00 0.00 23.12 22.59 2fug s ALA 70 CO 0.01 0.41 0.77 0.16 0.00 0.00 0.00 175.76 177.12 2fug s ASP 71 N -0.44 -0.71 0.22 0.00 -4.77 -0.42 -0.68 116.67 109.88 2fug s ASP 71 Ca 0.07 1.35 0.07 0.00 -3.30 0.00 0.00 52.55 50.74 2fug s ASP 71 Cb -0.08 1.37 -0.04 0.00 -1.09 0.00 0.00 42.92 43.07 2fug s ASP 71 CO -0.00 -0.23 0.11 0.54 0.70 0.00 0.00 175.17 176.29 2fug s VAL 72 N 0.41 4.17 0.27 2.11 0.11 -1.00 0.06 120.40 126.53 2fug s VAL 72 Ca 0.00 -1.40 -0.27 0.00 -2.93 0.00 0.00 61.98 57.38 2fug s VAL 72 Cb -0.05 -3.19 -0.09 0.00 -1.53 0.00 0.00 36.38 31.52 2fug s VAL 72 CO -0.01 -0.24 0.92 -0.94 -3.33 0.00 0.00 175.10 171.49 2fug s SER 73 N -3.45 7.46 0.76 3.54 1.04 -0.88 -4.89 113.70 117.28 2fug s SER 73 Ca 0.31 1.85 -0.15 0.00 0.48 0.00 0.00 55.95 58.44 2fug s SER 73 Cb -0.08 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.49 2fug s SER 73 CO 0.23 0.06 1.06 -0.81 0.98 0.00 0.00 173.24 174.75 2fug n PRO 74 N 1.05 0.40 0.26 4.02 -0.04 -1.26 -4.88 135.00 134.55 2fug n PRO 74 Ca -0.01 0.20 0.18 0.00 -0.04 0.00 0.00 63.50 63.84 2fug n PRO 74 Cb 0.49 -2.31 0.91 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.49 0.00 -0.62 0.54 0.11 -1.97 -2.13 114.38 109.82 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 0.46 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.25 2fug n HIS 76 N -3.37 0.91 -3.30 4.08 8.25 -1.26 -4.96 115.22 115.57 2fug n HIS 76 Ca -0.00 -0.43 -0.19 0.00 -0.26 0.00 0.00 57.72 56.85 2fug n HIS 76 Cb 0.31 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.32 4.30 0.36 -1.41 0.00 -0.80 -5.13 121.76 117.76 2fug s ALA 77 Ca 0.41 -1.70 0.08 0.00 0.00 0.00 0.00 51.96 50.75 2fug s ALA 77 Cb 0.23 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2fug s ALA 77 CO 0.26 -0.20 0.23 0.21 0.00 0.00 0.00 175.76 176.26 2fug s LYS 78 N -4.23 2.49 -1.35 0.00 2.47 -1.26 -4.61 119.74 113.26 2fug s LYS 78 Ca 0.50 -1.49 -0.00 0.00 -1.56 0.00 0.00 55.97 53.42 2fug s LYS 78 Cb -0.08 -2.28 0.00 0.00 -1.46 0.00 0.00 37.83 34.01 2fug s LYS 78 CO 0.31 0.04 0.60 1.28 0.16 0.00 0.00 175.35 177.74 2fug n LEU 79 N -1.28 -2.77 -4.66 5.43 4.32 -1.26 -4.84 117.00 111.94 2fug n LEU 79 Ca -0.02 -0.89 -0.41 0.00 -0.02 0.00 0.00 56.01 54.67 2fug n LEU 79 Cb 0.61 -2.50 0.01 0.00 -1.62 0.00 0.00 43.42 39.92 2fug n LEU 79 CO 0.43 0.42 0.76 0.29 -1.22 0.00 0.00 177.39 178.06 2fug n LYS 80 N -4.32 1.67 -3.56 3.23 5.02 -1.26 -5.01 118.16 113.93 2fug n LYS 80 Ca -0.30 0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 56.49 2fug n LYS 80 Cb 0.68 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.12 0.64 -0.17 1.97 3.03 -1.26 -4.94 118.95 116.09 2fug s ARG 81 Ca 0.62 0.02 -0.03 0.00 2.03 0.00 0.00 55.73 58.37 2fug s ARG 81 Cb -0.53 0.30 -0.02 0.00 -1.03 0.00 0.00 34.95 33.67 2fug s ARG 81 CO 0.57 -0.23 -0.06 -1.50 -1.13 0.00 0.00 175.30 172.95 2fug s ILE 82 N -1.71 3.51 0.19 4.99 2.07 -0.84 -2.08 121.20 127.34 2fug s ILE 82 Ca 0.01 -0.48 0.11 0.00 -1.41 0.00 0.00 60.65 58.88 2fug s ILE 82 Cb -0.01 -2.55 -0.04 0.00 0.13 0.00 0.00 42.46 39.99 2fug s ILE 82 CO -0.01 0.47 -0.23 -0.83 -1.91 0.00 0.00 174.94 172.43 2fug s GLY 83 N 0.75 1.66 -0.01 1.50 0.00 0.11 -0.56 107.32 110.77 2fug s GLY 83 Ca -0.03 -1.62 0.08 0.00 0.00 0.00 0.00 44.72 43.15 2fug s GLY 83 CO 0.02 -1.65 -0.24 1.08 0.00 0.00 0.00 173.10 172.31 2fug s LEU 84 N -2.65 2.21 -0.07 0.66 1.43 0.11 -1.30 118.68 119.07 2fug s LEU 84 Ca 0.20 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2fug s LEU 84 Cb -0.08 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2fug s LEU 84 CO 0.09 0.31 0.15 -0.60 0.23 0.00 0.00 176.35 176.53 2fug s ARG 85 N -0.80 0.08 -0.39 1.70 3.00 0.46 0.56 118.95 123.56 2fug s ARG 85 Ca 0.11 0.40 -0.15 0.00 -1.00 0.00 0.00 55.73 55.09 2fug s ARG 85 Cb -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 34.95 34.66 2fug s ARG 85 CO 0.00 -0.19 0.30 -0.51 0.00 0.00 0.00 175.30 174.90 2fug s LEU 86 N 1.36 4.92 1.03 -0.88 1.43 -0.30 -0.88 118.68 125.36 2fug s LEU 86 Ca -0.07 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.15 2fug s LEU 86 Cb -0.12 -2.18 0.11 0.00 0.03 0.00 0.00 46.19 44.04 2fug s LEU 86 CO -0.06 -0.40 0.49 -2.65 0.23 0.00 0.00 176.35 173.96 2fug n PRO 87 N 5.19 -1.05 0.00 1.29 -0.02 -1.26 -3.18 135.00 135.96 2fug n PRO 87 Ca -0.11 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 2fug n PRO 87 Cb 0.48 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.70 0.00 -3.96 -0.52 1.74 -1.26 -4.71 116.66 105.25 2fug n ARG 88 Ca 0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 2fug n ARG 88 Cb 0.56 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 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 3.08 0.00 7.54 0.00 -1.19 -5.02 121.76 126.17 2fug s ALA 89 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.00 2fug s ALA 89 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2fug s ALA 89 CO 0.00 -1.90 0.33 -2.39 0.00 0.00 0.00 175.76 171.80 2fug n HIS 90 N 3.55 0.00 -3.53 0.00 1.44 -1.26 -4.65 115.22 110.77 2fug n HIS 90 Ca 0.05 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.54 2fug n HIS 90 Cb 0.36 -0.18 -0.14 0.00 0.12 0.00 0.00 29.99 30.15 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 0.19 -0.23 -0.07 0.61 1.01 -1.26 -5.07 121.20 116.38 2fug s ILE 91 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2fug s ILE 91 Cb 0.00 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 2fug s ILE 91 CO 0.00 -0.27 -0.21 -1.00 0.00 0.00 0.00 174.94 173.46 2fug s HIS 92 N 2.25 2.18 -0.07 3.97 3.76 -1.26 -1.15 115.29 124.97 2fug s HIS 92 Ca 0.05 -0.77 0.05 0.00 -0.15 0.00 0.00 55.06 54.25 2fug s HIS 92 Cb -0.16 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.05 2fug s HIS 92 CO -0.13 -0.29 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.73 2fug s LEU 93 N 0.19 2.18 -0.20 0.89 1.02 0.19 -4.99 118.68 117.97 2fug s LEU 93 Ca -0.11 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 2fug s LEU 93 Cb -0.15 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.65 2fug s LEU 93 CO 0.05 0.24 -0.13 -1.00 0.02 0.00 0.00 176.35 175.54 2fug s HIS 94 N -0.14 2.86 -0.18 0.29 3.76 -1.26 -0.71 115.29 119.91 2fug s HIS 94 Ca -0.04 -1.29 -0.05 0.00 -0.15 0.00 0.00 55.06 53.53 2fug s HIS 94 Cb -0.14 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2fug s HIS 94 CO 0.04 -0.67 -0.01 0.00 -0.85 0.00 0.00 174.74 173.25 2fug s ALA 95 N 1.34 3.06 0.43 -1.40 0.00 0.27 -4.52 121.76 120.95 2fug s ALA 95 Ca 0.05 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.17 2fug s ALA 95 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2fug s ALA 95 CO -0.08 0.01 0.26 -1.01 0.00 0.00 0.00 175.76 174.94 2fug s HIS 96 N 0.71 2.49 -0.04 0.00 3.76 -0.68 -1.98 115.29 119.55 2fug s HIS 96 Ca -0.00 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.36 2fug s HIS 96 Cb -0.14 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2fug s HIS 96 CO 0.02 0.02 -0.20 -0.47 -0.85 0.00 0.00 174.74 173.26 2fug s TYR 97 N -2.60 2.54 -0.05 1.40 5.04 -1.26 -2.53 117.35 119.89 2fug s TYR 97 Ca 0.41 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 2fug s TYR 97 Cb 0.01 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.76 2fug s TYR 97 CO 0.23 0.07 -0.09 -1.21 -1.34 0.00 0.00 175.55 173.22 2fug s GLU 98 N -0.65 1.20 0.25 4.97 0.41 -0.62 -5.00 118.70 119.27 2fug s GLU 98 Ca 0.10 -0.28 -0.31 0.00 -0.41 0.00 0.00 54.97 54.07 2fug s GLU 98 Cb -0.10 -1.07 -0.12 0.00 -1.78 0.00 0.00 34.13 31.05 2fug s GLU 98 CO -0.00 0.02 1.64 -0.35 -0.49 0.00 0.00 175.26 176.07 2fug n PRO 99 N 3.74 2.67 0.00 0.39 -0.04 -1.26 -0.01 135.00 140.49 2fug n PRO 99 Ca -0.23 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2fug n PRO 99 Cb 0.52 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 2.95 2.16 0.29 0.55 0.00 -1.26 -4.44 105.19 105.44 2fug n GLY 100 Ca 0.12 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.39 0.00 1.61 1.79 -2.02 -3.48 116.57 114.86 2fug h LYS 101 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2fug h LYS 101 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2fug h LYS 101 CO 0.00 0.29 0.00 0.41 -1.08 0.00 0.00 179.45 179.07 2fug n GLY 102 N -1.40 -0.17 3.58 3.86 0.00 0.99 -4.86 105.19 107.19 2fug n GLY 102 Ca 0.01 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 3.45 0.33 0.99 2.96 -1.26 -1.59 118.68 123.56 2fug s LEU 103 Ca 0.00 0.67 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 2fug s LEU 103 Cb 0.00 -3.18 -0.06 0.00 0.50 0.00 0.00 46.19 43.45 2fug s LEU 103 CO 0.00 -1.77 -0.12 0.68 -1.32 0.00 0.00 176.35 173.82 2fug s VAL 104 N 6.67 2.31 -0.46 1.68 -7.23 -1.05 -0.08 120.40 122.24 2fug s VAL 104 Ca 0.64 -2.25 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 2fug s VAL 104 Cb -0.15 -2.56 0.44 0.00 0.56 0.00 0.00 36.38 34.67 2fug s VAL 104 CO 0.28 -0.25 1.42 0.35 -0.31 0.00 0.00 175.10 176.59 2fug n THR 105 N -0.75 2.82 0.00 5.32 -2.24 0.76 -1.68 114.28 118.51 2fug n THR 105 Ca -0.05 -4.14 0.00 0.00 -2.27 0.00 0.00 64.05 57.59 2fug n THR 105 Cb 0.63 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.68 1.56 0.00 3.38 0.00 -1.26 -4.58 105.19 103.60 2fug n GLY 106 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.27 -3.06 1.61 5.02 -1.26 -5.02 118.16 116.73 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 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.74 5.00 0.62 -0.18 1.09 -1.26 -5.01 121.20 119.71 2fug s ILE 108 Ca 0.00 1.44 -0.17 0.00 -1.10 0.00 0.00 60.65 60.82 2fug s ILE 108 Cb 0.00 -4.03 -0.02 0.00 -1.06 0.00 0.00 42.46 37.34 2fug s ILE 108 CO 0.00 0.28 1.15 -2.84 -0.10 0.00 0.00 174.94 173.43 2fug s PRO 109 N 0.58 2.94 -0.62 2.79 0.02 -1.26 -0.17 135.00 139.27 2fug s PRO 109 Ca 0.37 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 62.93 2fug s PRO 109 Cb -0.18 -1.95 0.16 0.00 0.02 0.00 0.00 34.50 32.55 2fug s PRO 109 CO 0.18 -1.18 0.46 -1.17 -0.33 0.00 0.00 177.00 174.96 2fug s LEU 110 N -4.39 5.47 0.36 -5.54 2.96 0.89 -4.75 118.68 113.68 2fug s LEU 110 Ca 0.72 -2.70 -0.02 0.00 -0.22 0.00 0.00 54.13 51.91 2fug s LEU 110 Cb -0.25 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2fug s LEU 110 CO 0.35 -0.43 0.60 0.42 -1.32 0.00 0.00 176.35 175.97 2fug s THR 111 N 0.17 5.04 0.18 3.68 -4.23 -1.26 -4.87 115.64 114.35 2fug s THR 111 Ca 0.15 -0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.27 2fug s THR 111 Cb -0.20 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 69.92 2fug s THR 111 CO -0.04 -0.56 1.60 0.50 -0.54 0.00 0.00 174.62 175.58 2fug h LYS 112 N 0.90 -0.18 -0.09 3.99 3.64 -1.99 0.24 116.57 123.07 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 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 2fug h LYS 112 CO 0.63 -0.12 -0.48 0.93 -2.27 0.00 0.00 179.45 178.14 2fug h GLU 113 N -0.19 -0.51 -0.59 1.90 4.39 -1.99 -0.89 114.58 116.69 2fug h GLU 113 Ca 0.21 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.06 2fug h GLU 113 Cb 0.54 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.20 2fug h GLU 113 CO -0.61 -0.34 -0.06 -0.09 -1.16 0.00 0.00 179.01 176.75 2fug h ARG 114 N -0.53 0.06 0.12 2.33 2.43 -1.61 -0.06 114.38 117.11 2fug h ARG 114 Ca 0.02 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2fug h ARG 114 Cb 0.61 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2fug h ARG 114 CO -0.37 0.04 -0.38 0.35 -1.51 0.00 0.00 179.97 178.11 2fug h PHE 115 N 0.06 -1.08 -0.74 2.20 3.57 0.34 0.47 116.94 121.76 2fug h PHE 115 Ca 0.30 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.99 2fug h PHE 115 Cb 0.47 0.46 -0.13 0.00 2.79 0.00 0.00 35.95 39.54 2fug h PHE 115 CO -0.41 -0.43 -0.02 0.74 -2.23 0.00 0.00 178.31 175.96 2fug h PHE 116 N -0.56 -0.10 -0.86 0.41 -1.00 -0.51 1.13 116.94 115.46 2fug h PHE 116 Ca -0.01 0.06 0.08 0.00 2.81 0.00 0.00 57.97 60.91 2fug h PHE 116 Cb 0.55 0.16 -0.06 0.00 3.61 0.00 0.00 35.95 40.21 2fug h PHE 116 CO -0.39 -0.25 0.56 0.00 -1.61 0.00 0.00 178.31 176.62 2fug h ALA 117 N 1.70 1.63 0.05 2.45 0.00 -0.55 1.01 119.26 125.54 2fug h ALA 117 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2fug h ALA 117 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2fug h ALA 117 CO -0.67 0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.02 2fug h LEU 118 N 0.89 -0.05 -0.64 0.00 5.85 0.32 -1.70 115.31 119.97 2fug h LEU 118 Ca 0.39 -0.54 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2fug h LEU 118 Cb 0.34 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 2fug h LEU 118 CO -0.15 0.55 0.28 0.00 -0.34 0.00 0.00 178.44 178.77 2fug h ALA 119 N 0.20 0.85 -0.06 1.25 0.00 0.11 -0.15 119.26 121.47 2fug h ALA 119 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fug h ALA 119 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2fug h ALA 119 CO 0.01 -0.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.87 2fug n ASP 120 N -4.94 0.00 -0.31 0.00 9.92 0.34 0.14 116.55 121.70 2fug n ASP 120 Ca 0.09 0.99 0.12 0.00 -0.53 0.00 0.00 54.79 55.47 2fug n ASP 120 Cb 0.27 -0.49 0.26 0.00 -0.64 0.00 0.00 41.12 40.52 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 0.07 -0.09 -1.24 2.47 -1.13 0.36 114.38 114.82 2fug h ARG 121 Ca 0.00 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2fug h ARG 121 Cb 0.00 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2fug h ARG 121 CO 0.00 0.05 0.05 0.00 0.56 0.00 0.00 179.97 180.63 2fug h ALA 122 N 1.87 0.12 -0.74 0.04 0.00 -0.78 -2.74 119.26 117.03 2fug h ALA 122 Ca 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2fug h ALA 122 Cb 1.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2fug h ALA 122 CO -0.80 -0.34 0.41 -0.09 0.00 0.00 0.00 179.25 178.43 2fug h ARG 123 N 0.04 1.04 -0.23 0.00 2.43 0.33 -1.41 114.38 116.58 2fug h ARG 123 Ca 0.03 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2fug h ARG 123 Cb 0.10 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 2fug h ARG 123 CO -0.00 0.78 -0.24 0.93 -1.51 0.00 0.00 179.97 179.92 2fug h GLU 124 N 1.03 -0.25 0.14 0.20 4.39 -0.36 -2.64 114.58 117.10 2fug h GLU 124 Ca 0.26 0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.76 2fug h GLU 124 Cb 0.04 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2fug h GLU 124 CO -0.04 -0.16 -1.03 0.00 -1.16 0.00 0.00 179.01 176.62 2fug h ALA 125 N 0.78 -0.02 -0.00 3.43 0.00 -1.42 -3.39 119.26 118.63 2fug h ALA 125 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2fug h ALA 125 Cb 0.46 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2fug h ALA 125 CO -0.38 0.52 -0.37 1.28 0.00 0.00 0.00 179.25 180.30 2fug n LEU 126 N -4.04 0.65 -4.65 0.00 4.77 -0.54 -4.91 117.00 108.28 2fug n LEU 126 Ca -0.17 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 2fug n LEU 126 Cb 0.86 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2fug n LEU 126 CO 0.47 0.14 1.40 0.00 -1.33 0.00 0.00 177.39 178.07 2fug s ALA 127 N -2.80 3.54 -0.09 -1.18 0.00 -1.00 -4.87 121.76 115.36 2fug s ALA 127 Ca 0.17 0.90 0.13 0.00 0.00 0.00 0.00 51.96 53.17 2fug s ALA 127 Cb 0.18 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 2fug s ALA 127 CO 0.62 -1.52 1.33 0.74 0.00 0.00 0.00 175.76 176.92 2fug h PHE 128 N 9.93 0.00 0.00 0.00 -1.00 -1.91 -3.50 116.94 120.46 2fug h PHE 128 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 2fug h PHE 128 Cb 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.74 2fug h PHE 128 CO 0.90 0.62 0.00 0.00 -1.61 0.00 0.00 178.31 178.22