#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5i s PHE 4 N 0.00 -0.24 -0.03 5.64 -0.12 -1.26 -4.17 117.98 117.80 2f5i s PHE 4 Ca 0.00 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 2f5i s PHE 4 Cb 0.00 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 43.04 2f5i s PHE 4 CO 0.00 -0.85 0.01 0.08 -0.05 0.00 0.00 175.22 174.41 2f5i s VAL 5 N -3.44 0.13 -0.10 -2.49 1.01 0.22 -4.96 120.40 110.77 2f5i s VAL 5 Ca 0.09 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 2f5i s VAL 5 Cb -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 2f5i s VAL 5 CO -0.01 0.15 0.39 -0.63 0.00 0.00 0.00 175.10 175.00 2f5i s ILE 6 N 1.17 5.19 0.17 2.22 -1.09 -1.26 -0.22 121.20 127.37 2f5i s ILE 6 Ca -0.08 0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 58.98 2f5i s ILE 6 Cb -0.13 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 2f5i s ILE 6 CO -0.02 0.42 0.42 0.00 -1.23 0.00 0.00 174.94 174.53 2f5i s ARG 7 N 0.06 1.23 0.44 2.79 1.70 -0.63 -4.97 118.95 119.58 2f5i s ARG 7 Ca 0.22 -0.90 -0.24 0.00 -0.47 0.00 0.00 55.73 54.34 2f5i s ARG 7 Cb -0.15 0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 2f5i s ARG 7 CO 0.09 -0.49 1.24 -1.25 -1.08 0.00 0.00 175.30 173.81 2f5i s PRO 8 N -3.88 3.83 0.85 3.89 0.04 -1.26 -0.37 135.00 138.10 2f5i s PRO 8 Ca 0.09 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2f5i s PRO 8 Cb 0.01 -2.58 0.10 0.00 0.04 0.00 0.00 34.50 32.07 2f5i s PRO 8 CO -0.05 -0.56 1.09 0.00 0.04 0.00 0.00 177.00 177.53 2f5i s ALA 9 N -1.38 1.84 0.33 8.56 0.00 0.82 -4.72 121.76 127.21 2f5i s ALA 9 Ca 0.61 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.56 2f5i s ALA 9 Cb -0.34 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2f5i s ALA 9 CO 0.42 -2.09 0.08 0.95 0.00 0.00 0.00 175.76 175.12 2f5i s THR 10 N -2.98 0.97 0.51 0.00 -4.23 -1.26 -4.94 115.64 103.70 2f5i s THR 10 Ca 0.62 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 2f5i s THR 10 Cb -0.17 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.26 2f5i s THR 10 CO 0.56 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.77 2f5i h ALA 11 N 2.09 1.95 0.00 3.99 0.00 -1.98 -1.22 119.26 124.10 2f5i h ALA 11 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2f5i h ALA 11 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2f5i h ALA 11 CO 0.66 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2f5i h ALA 12 N 1.96 1.00 -0.01 0.00 0.00 -2.03 -3.00 119.26 117.19 2f5i h ALA 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2f5i h ALA 12 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2f5i h ALA 12 CO -0.00 0.00 -0.08 -0.25 0.00 0.00 0.00 179.25 178.92 2f5i n ASP 13 N -2.65 1.22 -0.35 0.00 8.00 -0.46 -4.32 116.55 118.00 2f5i n ASP 13 Ca 0.02 -1.23 0.01 0.00 0.71 0.00 0.00 54.79 54.29 2f5i n ASP 13 Cb 0.29 0.03 0.15 0.00 -0.02 0.00 0.00 41.12 41.57 2f5i n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f5i h SER 15 N 1.13 0.94 -0.34 0.00 4.64 -1.84 -1.19 113.55 116.89 2f5i h SER 15 Ca 0.40 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2f5i h SER 15 Cb 0.10 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2f5i h SER 15 CO -0.15 0.82 0.17 0.44 -0.87 0.00 0.00 176.83 177.24 2f5i h ASP 16 N 0.99 0.44 -0.04 4.97 3.32 -1.51 0.90 116.42 125.50 2f5i h ASP 16 Ca 0.24 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.19 2f5i h ASP 16 Cb 0.15 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2f5i h ASP 16 CO -0.03 0.44 -0.07 0.40 -1.72 0.00 0.00 179.24 178.26 2f5i h ILE 17 N 0.42 0.81 -0.63 0.35 2.04 -0.21 0.53 117.51 120.82 2f5i h ILE 17 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2f5i h ILE 17 Cb 0.11 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2f5i h ILE 17 CO -0.02 0.00 0.29 0.25 0.00 0.00 0.00 178.15 178.68 2f5i h LEU 18 N -0.10 0.80 -0.41 1.44 5.85 -1.09 0.10 115.31 121.91 2f5i h LEU 18 Ca 0.04 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2f5i h LEU 18 Cb 0.16 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2f5i h LEU 18 CO -0.10 0.69 0.20 -0.09 -0.34 0.00 0.00 178.44 178.79 2f5i h ARG 19 N 0.89 0.39 0.00 1.25 2.43 0.05 -0.21 114.38 119.19 2f5i h ARG 19 Ca 0.22 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2f5i h ARG 19 Cb 0.10 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2f5i h ARG 19 CO -0.03 0.26 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.23 2f5i h LEU 20 N 0.41 0.00 -0.17 3.80 3.38 0.03 -2.58 115.31 120.18 2f5i h LEU 20 Ca 0.18 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2f5i h LEU 20 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2f5i h LEU 20 CO -0.13 0.39 -0.60 0.40 0.09 0.00 0.00 178.44 178.59 2f5i h ILE 21 N 0.00 1.31 0.00 1.22 2.04 -0.14 -0.30 117.51 121.64 2f5i h ILE 21 Ca -0.00 -1.84 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 2f5i h ILE 21 Cb 0.85 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2f5i h ILE 21 CO 0.05 0.57 -0.20 0.11 0.00 0.00 0.00 178.15 178.69 2f5i h LYS 22 N 0.40 0.00 0.00 2.37 1.57 -0.94 0.60 116.57 120.57 2f5i h LYS 22 Ca -0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2f5i h LYS 22 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2f5i h LYS 22 CO 0.13 0.20 -0.88 0.93 -0.57 0.00 0.00 179.45 179.26 2f5i h GLU 23 N 0.00 0.00 -0.14 3.15 5.08 -1.27 -2.82 114.58 118.59 2f5i h GLU 23 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2f5i h GLU 23 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2f5i h GLU 23 CO 0.03 0.67 -0.64 1.25 -1.00 0.00 0.00 179.01 179.31 2f5i h LEU 24 N 0.00 0.60 -0.19 1.33 6.46 0.10 -2.39 115.31 121.22 2f5i h LEU 24 Ca -0.04 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2f5i h LEU 24 Cb 1.60 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 2f5i h LEU 24 CO 0.09 1.09 0.07 0.00 -0.62 0.00 0.00 178.44 179.07 2f5i h ALA 25 N 0.91 0.25 0.02 1.25 0.00 -0.91 0.96 119.26 121.74 2f5i h ALA 25 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2f5i h ALA 25 Cb 1.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2f5i h ALA 25 CO 0.12 -0.14 -0.15 0.87 0.00 0.00 0.00 179.25 179.94 2f5i h LYS 26 N 0.15 -0.25 -0.49 0.00 1.57 -1.47 -0.34 116.57 115.73 2f5i h LYS 26 Ca 0.06 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 2f5i h LYS 26 Cb 0.20 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2f5i h LYS 26 CO -0.00 -0.17 0.35 -0.92 -0.57 0.00 0.00 179.45 178.14 2f5i h TYR 27 N -0.26 0.01 -4.21 -1.35 5.03 -1.19 -3.43 116.97 111.58 2f5i h TYR 27 Ca 0.05 0.00 -0.53 0.00 2.58 0.00 0.00 58.73 60.82 2f5i h TYR 27 Cb 0.32 -0.00 0.18 0.00 1.55 0.00 0.00 36.73 38.78 2f5i h TYR 27 CO -0.20 0.00 0.34 -1.21 -1.32 0.00 0.00 178.16 175.77 2f5i s GLU 28 N -5.03 1.63 -0.09 1.82 0.41 0.31 -4.94 118.70 112.81 2f5i s GLU 28 Ca -0.05 1.74 0.11 0.00 -0.41 0.00 0.00 54.97 56.36 2f5i s GLU 28 Cb 0.19 -1.78 -0.24 0.00 -1.78 0.00 0.00 34.13 30.53 2f5i s GLU 28 CO 0.73 -2.22 0.50 0.66 -0.49 0.00 0.00 175.26 174.44 2f5i n TYR 29 N -3.33 0.82 -1.98 1.61 0.53 -1.26 -4.88 117.16 108.67 2f5i n TYR 29 Ca 0.13 0.28 -0.34 0.00 -1.02 0.00 0.00 57.90 56.95 2f5i n TYR 29 Cb 0.51 -1.15 0.03 0.00 -1.03 0.00 0.00 39.34 37.70 2f5i n TYR 29 CO 0.00 0.00 0.00 -1.64 -1.02 0.00 0.00 176.86 174.20 2f5i s MET 30 N -2.57 3.06 -1.10 -0.72 -1.94 -1.26 -4.95 119.30 109.82 2f5i s MET 30 Ca -0.08 1.47 -0.06 0.00 -1.71 0.00 0.00 55.69 55.30 2f5i s MET 30 Cb 0.07 -1.98 0.30 0.00 2.01 0.00 0.00 34.83 35.23 2f5i s MET 30 CO 0.81 -1.06 1.36 -1.91 -0.01 0.00 0.00 175.02 174.22 2f5i n GLU 31 N -1.94 4.14 -3.79 2.03 4.07 -1.26 -4.98 120.64 118.91 2f5i n GLU 31 Ca 0.11 -4.51 -0.36 0.00 -0.06 0.00 0.00 57.16 52.34 2f5i n GLU 31 Cb 0.52 -2.53 -0.10 0.00 -0.06 0.00 0.00 31.44 29.26 2f5i n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2f5i s GLU 32 N -2.20 3.93 0.07 5.31 2.02 -1.26 -5.08 118.70 121.49 2f5i s GLU 32 Ca 0.31 -0.35 -0.21 0.00 0.02 0.00 0.00 54.97 54.74 2f5i s GLU 32 Cb -0.00 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 2f5i s GLU 32 CO 0.04 0.04 0.63 1.14 0.02 0.00 0.00 175.26 177.13 2f5i s GLN 33 N 1.06 4.32 -0.42 1.61 1.03 -1.26 -4.93 119.66 121.07 2f5i s GLN 33 Ca 0.06 0.85 -0.23 0.00 0.04 0.00 0.00 55.36 56.07 2f5i s GLN 33 Cb -0.14 -3.28 0.02 0.00 0.03 0.00 0.00 33.01 29.65 2f5i s GLN 33 CO 0.04 0.54 0.79 0.08 -2.54 0.00 0.00 175.29 174.19 2f5i s VAL 34 N -0.83 4.67 -1.39 3.63 1.01 -1.26 -4.85 120.40 121.38 2f5i s VAL 34 Ca 0.31 0.58 0.24 0.00 0.00 0.00 0.00 61.98 63.11 2f5i s VAL 34 Cb -0.20 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 2f5i s VAL 34 CO 0.20 -0.63 1.24 2.30 0.00 0.00 0.00 175.10 178.21 2f5i n ILE 35 N 6.04 0.00 -2.17 2.22 -6.64 -1.26 -4.91 119.36 112.64 2f5i n ILE 35 Ca 0.03 -0.08 -0.41 0.00 -1.77 0.00 0.00 62.75 60.51 2f5i n ILE 35 Cb 0.48 0.70 -0.03 0.00 -1.44 0.00 0.00 39.64 39.36 2f5i n ILE 35 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 2f5i s LEU 36 N -2.78 4.44 0.40 7.28 2.96 -1.26 -5.03 118.68 124.69 2f5i s LEU 36 Ca 0.15 2.58 0.07 0.00 -0.22 0.00 0.00 54.13 56.71 2f5i s LEU 36 Cb 0.18 -3.64 -0.07 0.00 0.50 0.00 0.00 46.19 43.16 2f5i s LEU 36 CO 0.68 -0.50 0.03 0.42 -1.32 0.00 0.00 176.35 175.66 2f5i s THR 37 N -0.79 2.09 0.27 3.68 -4.23 -1.26 -5.02 115.64 110.38 2f5i s THR 37 Ca 0.51 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2f5i s THR 37 Cb -0.38 -2.96 0.21 0.00 1.34 0.00 0.00 72.50 70.71 2f5i s THR 37 CO 0.48 -0.02 1.88 -0.08 -0.54 0.00 0.00 174.62 176.33 2f5i h GLU 38 N 1.74 1.09 -0.76 3.99 4.81 -1.96 -1.71 114.58 121.79 2f5i h GLU 38 Ca -0.44 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2f5i h GLU 38 Cb 1.24 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 2f5i h GLU 38 CO 0.78 0.81 0.48 -0.22 -0.73 0.00 0.00 179.01 180.13 2f5i h LYS 39 N 1.09 0.90 -0.05 1.92 3.64 -1.98 -1.05 116.57 121.04 2f5i h LYS 39 Ca 0.27 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2f5i h LYS 39 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2f5i h LYS 39 CO -0.04 0.59 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.29 2f5i h ASP 40 N 0.92 -0.03 -0.02 4.20 3.45 -1.73 -0.70 116.42 122.51 2f5i h ASP 40 Ca 0.31 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.79 2f5i h ASP 40 Cb 0.03 0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2f5i h ASP 40 CO -0.12 -0.01 0.01 -0.07 -1.57 0.00 0.00 179.24 177.49 2f5i h LEU 41 N 0.01 0.00 0.18 1.55 3.38 -0.94 -0.34 115.31 119.15 2f5i h LEU 41 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2f5i h LEU 41 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2f5i h LEU 41 CO -0.04 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.33 2f5i h LEU 42 N 0.00 -0.20 -0.59 1.67 3.38 -0.48 -2.15 115.31 116.93 2f5i h LEU 42 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2f5i h LEU 42 Cb 0.04 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2f5i h LEU 42 CO -0.00 0.34 0.35 -0.08 0.09 0.00 0.00 178.44 179.14 2f5i h GLU 43 N -0.99 0.81 0.00 1.13 4.22 -1.00 0.47 114.58 119.22 2f5i h GLU 43 Ca -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.33 2f5i h GLU 43 Cb 0.41 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2f5i h GLU 43 CO 0.04 0.60 0.00 -0.44 -2.18 0.00 0.00 179.01 177.03 2f5i h ASP 44 N 0.80 0.00 0.00 1.04 3.32 -1.20 -2.85 116.42 117.53 2f5i h ASP 44 Ca 0.21 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 2f5i h ASP 44 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2f5i h ASP 44 CO -0.04 0.00 -1.63 0.61 -1.72 0.00 0.00 179.24 176.46 2f5i n GLY 45 N 0.74 -0.52 0.83 2.75 0.00 -0.81 0.25 105.19 108.44 2f5i n GLY 45 Ca 0.03 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2f5i n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f5i n PHE 46 N -2.17 0.00 -3.90 1.61 3.01 0.16 -4.57 117.46 111.61 2f5i n PHE 46 Ca -0.10 -0.71 -0.30 0.00 1.01 0.00 0.00 57.45 57.35 2f5i n PHE 46 Cb 0.60 -0.15 -0.16 0.00 -0.01 0.00 0.00 39.48 39.76 2f5i n PHE 46 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2f5i s GLY 47 N -2.21 1.28 0.00 1.37 0.00 -1.07 -4.90 107.32 101.78 2f5i s GLY 47 Ca 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2f5i s GLY 47 CO -0.08 1.06 0.00 1.18 0.00 0.00 0.00 173.10 175.26 2f5i n GLU 48 N 4.68 0.00 -3.73 2.90 1.02 -1.26 -4.46 120.64 119.79 2f5i n GLU 48 Ca -0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.68 2f5i n GLU 48 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.73 2f5i n GLU 48 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2f5i s HIS 49 N 0.00 3.15 -0.03 -0.32 5.04 -1.26 -5.08 115.29 116.78 2f5i s HIS 49 Ca 0.00 -0.80 -0.30 0.00 -1.54 0.00 0.00 55.06 52.42 2f5i s HIS 49 Cb 0.00 -2.28 -0.04 0.00 0.04 0.00 0.00 32.58 30.30 2f5i s HIS 49 CO 0.00 -0.52 1.21 -1.25 -2.34 0.00 0.00 174.74 171.85 2f5i s PRO 50 N 1.54 4.36 0.00 2.88 0.04 -1.26 -4.74 135.00 137.83 2f5i s PRO 50 Ca 0.04 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.05 2f5i s PRO 50 Cb -0.17 -3.53 0.76 0.00 0.04 0.00 0.00 34.50 31.60 2f5i s PRO 50 CO 0.04 -0.42 1.57 1.19 0.04 0.00 0.00 177.00 179.41 2f5i n PHE 51 N 5.01 0.00 -3.64 0.56 3.01 0.14 -4.91 117.46 117.63 2f5i n PHE 51 Ca 0.11 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.46 2f5i n PHE 51 Cb 0.46 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.75 2f5i n PHE 51 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2f5i s TYR 52 N -2.55 -0.22 -0.01 1.38 -0.85 -1.25 -4.86 117.35 108.98 2f5i s TYR 52 Ca 0.23 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.71 2f5i s TYR 52 Cb 0.19 0.34 -0.00 0.00 0.38 0.00 0.00 41.96 42.87 2f5i s TYR 52 CO 0.54 -0.79 -0.07 -1.01 -1.52 0.00 0.00 175.55 172.69 2f5i s HIS 53 N -3.82 0.65 0.05 -3.49 3.76 0.64 -4.75 115.29 108.33 2f5i s HIS 53 Ca 0.05 -0.13 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 2f5i s HIS 53 Cb 0.01 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 2f5i s HIS 53 CO -0.09 -0.03 -0.19 0.00 -0.85 0.00 0.00 174.74 173.58 2f5i s LEU 55 N -1.25 2.86 0.08 0.00 1.43 -0.45 -0.13 118.68 121.22 2f5i s LEU 55 Ca 0.06 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 2f5i s LEU 55 Cb -0.09 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2f5i s LEU 55 CO 0.02 0.27 -0.19 0.68 0.23 0.00 0.00 176.35 177.36 2f5i s VAL 56 N -0.94 1.56 -0.31 -1.59 -7.23 0.50 -1.21 120.40 111.18 2f5i s VAL 56 Ca 0.16 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2f5i s VAL 56 Cb -0.11 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2f5i s VAL 56 CO 0.06 -0.05 0.19 0.00 -0.31 0.00 0.00 175.10 174.99 2f5i s ALA 57 N -1.11 3.43 -0.12 1.32 0.00 0.11 -1.60 121.76 123.79 2f5i s ALA 57 Ca 0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2f5i s ALA 57 Cb -0.10 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2f5i s ALA 57 CO 0.03 -0.82 -0.08 -2.00 0.00 0.00 0.00 175.76 172.89 2f5i s GLU 58 N 1.70 3.29 0.08 0.00 2.12 0.69 -1.15 118.70 125.42 2f5i s GLU 58 Ca 0.06 -0.60 0.05 0.00 0.36 0.00 0.00 54.97 54.85 2f5i s GLU 58 Cb -0.17 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2f5i s GLU 58 CO 0.09 0.35 -0.03 0.54 -0.54 0.00 0.00 175.26 175.67 2f5i s VAL 59 N 0.02 3.82 0.00 3.70 0.11 0.06 0.69 120.40 128.80 2f5i s VAL 59 Ca -0.02 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 2f5i s VAL 59 Cb -0.14 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 2f5i s VAL 59 CO 0.03 0.15 0.00 -2.65 -3.33 0.00 0.00 175.10 169.30 2f5i n PRO 60 N 0.71 1.73 -0.60 1.54 -0.02 -1.26 -4.56 135.00 132.54 2f5i n PRO 60 Ca -0.12 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.17 2f5i n PRO 60 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 2f5i n PRO 60 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2f5i n LYS 61 N 0.00 1.51 -0.17 -0.52 0.00 -1.26 -2.99 118.16 114.72 2f5i n LYS 61 Ca 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 58.31 57.11 2f5i n LYS 61 Cb 0.00 -2.39 0.08 0.00 0.00 0.00 0.00 35.03 32.72 2f5i n LYS 61 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2f5i n GLU 62 N 4.72 1.07 -1.32 1.64 2.13 -1.26 -5.07 120.64 122.55 2f5i n GLU 62 Ca 0.35 -1.90 -0.51 0.00 0.66 0.00 0.00 57.16 55.76 2f5i n GLU 62 Cb 0.13 -1.11 -0.06 0.00 0.27 0.00 0.00 31.44 30.67 2f5i n GLU 62 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2f5i n HIS 63 N -0.85 0.39 -0.56 4.31 8.25 -1.16 -4.85 115.22 120.74 2f5i n HIS 63 Ca 0.09 0.93 -0.30 0.00 -0.26 0.00 0.00 57.72 58.18 2f5i n HIS 63 Cb 0.60 -1.84 0.22 0.00 1.12 0.00 0.00 29.99 30.09 2f5i n HIS 63 CO 0.00 0.00 0.00 -2.67 0.64 0.00 0.00 176.34 174.31 2f5i n TRP 64 N 1.09 -1.19 -3.83 4.41 4.27 -0.95 -4.69 117.44 116.56 2f5i n TRP 64 Ca 0.17 -0.01 -0.13 0.00 -3.89 0.00 0.00 57.50 53.65 2f5i n TRP 64 Cb 0.10 -1.68 -0.14 0.00 -1.36 0.00 0.00 31.31 28.23 2f5i n TRP 64 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2f5i s THR 65 N -2.37 -0.01 0.00 -1.67 2.01 -1.26 -2.28 115.64 110.06 2f5i s THR 65 Ca 0.64 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2f5i s THR 65 Cb -0.21 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.19 2f5i s THR 65 CO 0.65 0.02 0.00 -0.81 -0.69 0.00 0.00 174.62 173.79 2f5i n PRO 66 N 3.33 2.24 0.00 4.92 -0.04 -1.26 -4.94 135.00 139.25 2f5i n PRO 66 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2f5i n PRO 66 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2f5i n PRO 66 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2f5i n GLU 67 N 0.00 0.00 -2.83 0.54 4.71 -1.26 -4.58 120.64 117.22 2f5i n GLU 67 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 2f5i n GLU 67 Cb 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 2f5i n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2f5i n GLY 68 N 0.00 -3.28 3.30 0.62 0.00 -0.97 -5.05 105.19 99.82 2f5i n GLY 68 Ca 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2f5i n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f5i s HIS 69 N -1.58 1.80 -0.88 1.61 3.76 -1.25 -4.87 115.29 113.90 2f5i s HIS 69 Ca 0.02 -0.44 0.22 0.00 -0.15 0.00 0.00 55.06 54.72 2f5i s HIS 69 Cb -0.00 -0.96 -0.02 0.00 1.11 0.00 0.00 32.58 32.70 2f5i s HIS 69 CO 0.64 0.25 1.01 -1.13 -0.85 0.00 0.00 174.74 174.66 2f5i n SER 70 N 0.80 0.76 -4.48 1.40 3.41 -1.26 -2.24 113.62 112.01 2f5i n SER 70 Ca -0.17 -0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 2f5i n SER 70 Cb 0.55 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 65.26 2f5i n SER 70 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2f5i s ILE 71 N -3.06 5.16 -1.01 -1.33 -1.09 -1.26 -0.76 121.20 117.84 2f5i s ILE 71 Ca 0.07 -0.41 0.20 0.00 -2.23 0.00 0.00 60.65 58.27 2f5i s ILE 71 Cb 0.16 -3.97 -0.19 0.00 -1.58 0.00 0.00 42.46 36.88 2f5i s ILE 71 CO 0.82 -0.34 0.85 1.33 -1.23 0.00 0.00 174.94 176.38 2f5i n VAL 72 N 5.31 0.00 -3.69 2.92 0.24 -0.30 -5.01 118.33 117.79 2f5i n VAL 72 Ca -0.09 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.10 2f5i n VAL 72 Cb 0.48 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 2f5i n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2f5i s GLY 73 N -2.81 -0.29 0.22 7.63 0.00 -1.21 -1.16 107.32 109.72 2f5i s GLY 73 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 2f5i s GLY 73 CO 0.78 0.07 0.47 -0.11 0.00 0.00 0.00 173.10 174.31 2f5i s PHE 74 N -3.37 0.23 -0.04 1.90 -0.12 -0.31 0.06 117.98 116.34 2f5i s PHE 74 Ca 0.10 -0.60 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 2f5i s PHE 74 Cb -0.02 0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2f5i s PHE 74 CO -0.00 -0.95 0.09 0.00 -0.05 0.00 0.00 175.22 174.31 2f5i s ALA 75 N -3.97 -0.19 -0.09 1.99 0.00 -0.35 -1.00 121.76 118.16 2f5i s ALA 75 Ca 0.18 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.53 2f5i s ALA 75 Cb -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2f5i s ALA 75 CO 0.05 -0.07 -0.24 1.41 0.00 0.00 0.00 175.76 176.91 2f5i s MET 76 N 0.39 2.88 0.17 0.00 0.00 0.17 -1.34 119.30 121.58 2f5i s MET 76 Ca -0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 55.69 54.69 2f5i s MET 76 Cb -0.04 -2.26 -0.01 0.00 0.00 0.00 0.00 34.83 32.52 2f5i s MET 76 CO -0.02 0.26 0.30 1.52 0.00 0.00 0.00 175.02 177.09 2f5i s TYR 77 N 0.15 0.36 0.23 4.11 -0.85 0.21 -0.90 117.35 120.66 2f5i s TYR 77 Ca -0.13 -0.72 -0.21 0.00 -0.52 0.00 0.00 57.07 55.49 2f5i s TYR 77 Cb -0.16 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.19 2f5i s TYR 77 CO 0.07 -0.74 0.64 1.52 -1.52 0.00 0.00 175.55 175.52 2f5i s TYR 78 N -3.96 -0.27 -0.05 -3.49 -0.85 -0.74 -0.26 117.35 107.74 2f5i s TYR 78 Ca 0.17 -0.09 -0.14 0.00 -0.52 0.00 0.00 57.07 56.49 2f5i s TYR 78 Cb 0.03 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 2f5i s TYR 78 CO -0.00 -1.05 0.36 -0.06 -1.52 0.00 0.00 175.55 173.27 2f5i s PHE 79 N -3.86 3.66 0.36 -3.49 0.08 -1.26 -0.81 117.98 112.66 2f5i s PHE 79 Ca 0.08 0.87 0.01 0.00 0.12 0.00 0.00 56.93 58.00 2f5i s PHE 79 Cb -0.03 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2f5i s PHE 79 CO -0.01 0.58 0.02 0.25 -0.10 0.00 0.00 175.22 175.97 2f5i n THR 80 N 2.17 0.00 -4.01 0.64 -2.24 -0.70 -4.94 114.28 105.19 2f5i n THR 80 Ca -0.14 -1.75 -0.13 0.00 -2.27 0.00 0.00 64.05 59.76 2f5i n THR 80 Cb 0.53 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 2f5i n THR 80 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2f5i s TYR 81 N -2.41 0.32 -0.11 4.78 5.04 -1.26 -1.45 117.35 122.27 2f5i s TYR 81 Ca 0.03 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.43 2f5i s TYR 81 Cb 0.00 -0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.12 2f5i s TYR 81 CO 0.02 -0.06 -0.16 0.34 -1.34 0.00 0.00 175.55 174.35 2f5i s ASP 82 N -0.70 2.46 0.56 4.32 2.15 -0.21 -4.96 116.67 120.30 2f5i s ASP 82 Ca -0.05 -0.44 0.26 0.00 0.43 0.00 0.00 52.55 52.76 2f5i s ASP 82 Cb -0.05 -1.11 1.50 0.00 -0.30 0.00 0.00 42.92 42.97 2f5i s ASP 82 CO -0.00 0.02 2.04 -0.65 -0.17 0.00 0.00 175.17 176.41 2f5i h PRO 83 N 7.37 0.00 0.14 4.34 0.11 -2.01 0.43 132.00 142.38 2f5i h PRO 83 Ca -0.31 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.49 2f5i h PRO 83 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2f5i h PRO 83 CO 0.49 0.00 -1.59 -1.49 -0.21 0.00 0.00 178.00 175.20 2f5i h TRP 84 N 0.00 0.53 0.00 0.65 6.55 -2.05 -3.42 115.95 118.21 2f5i h TRP 84 Ca 0.16 -0.39 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2f5i h TRP 84 Cb 0.75 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.02 2f5i h TRP 84 CO 0.00 1.62 0.00 0.44 -1.05 0.00 0.00 178.44 179.45 2f5i n ILE 85 N -3.78 0.00 -0.05 1.49 -5.35 -1.10 -5.14 119.36 105.43 2f5i n ILE 85 Ca -0.26 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 2f5i n ILE 85 Cb 0.97 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.91 2f5i n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f5i n GLY 86 N 0.57 -0.32 3.71 3.28 0.00 0.15 -4.85 105.19 107.73 2f5i n GLY 86 Ca 0.00 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 2f5i n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f5i n LYS 87 N 0.00 2.31 -4.27 1.61 4.81 -1.26 -1.04 118.16 120.31 2f5i n LYS 87 Ca 0.00 0.81 -0.15 0.00 -0.87 0.00 0.00 58.31 58.11 2f5i n LYS 87 Cb 0.00 -2.48 -0.10 0.00 0.02 0.00 0.00 35.03 32.46 2f5i n LYS 87 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2f5i s LEU 88 N -0.69 2.45 -0.16 3.14 1.43 -0.53 -2.07 118.68 122.26 2f5i s LEU 88 Ca 0.61 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2f5i s LEU 88 Cb -0.56 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2f5i s LEU 88 CO 0.55 -0.37 0.10 -0.22 0.23 0.00 0.00 176.35 176.64 2f5i s LEU 89 N -3.20 4.07 -0.21 1.79 2.96 -0.12 -1.73 118.68 122.24 2f5i s LEU 89 Ca 0.20 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2f5i s LEU 89 Cb 0.03 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.75 2f5i s LEU 89 CO 0.03 0.27 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.75 2f5i s TYR 90 N -0.22 2.57 -0.44 5.38 5.04 0.01 -0.32 117.35 129.38 2f5i s TYR 90 Ca 0.09 -1.71 -0.25 0.00 -2.44 0.00 0.00 57.07 52.76 2f5i s TYR 90 Cb -0.12 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.51 2f5i s TYR 90 CO 0.01 -0.77 0.92 -1.17 -1.34 0.00 0.00 175.55 173.20 2f5i s LEU 91 N 1.34 4.01 0.00 6.97 2.96 0.30 -1.79 118.68 132.47 2f5i s LEU 91 Ca -0.02 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 2f5i s LEU 91 Cb -0.17 -3.20 -0.32 0.00 0.50 0.00 0.00 46.19 43.00 2f5i s LEU 91 CO -0.08 -1.00 0.87 -0.08 -1.32 0.00 0.00 176.35 174.74 2f5i h GLU 92 N 8.93 0.41 -1.37 1.98 4.57 -1.31 -3.40 114.58 124.38 2f5i h GLU 92 Ca -0.24 -0.70 0.29 0.00 -1.18 0.00 0.00 59.36 57.53 2f5i h GLU 92 Cb 1.08 0.26 -0.17 0.00 -0.16 0.00 0.00 28.75 29.76 2f5i h GLU 92 CO 1.01 1.32 0.85 0.34 -1.18 0.00 0.00 179.01 181.36 2f5i s ASP 93 N -7.33 -0.09 -0.22 1.04 -1.08 -1.06 -4.93 116.67 103.00 2f5i s ASP 93 Ca -0.11 -0.04 -0.26 0.00 -0.52 0.00 0.00 52.55 51.62 2f5i s ASP 93 Cb 0.05 0.12 0.07 0.00 -1.46 0.00 0.00 42.92 41.71 2f5i s ASP 93 CO 0.89 -0.21 0.74 0.72 0.52 0.00 0.00 175.17 177.83 2f5i s PHE 94 N -2.34 -0.73 -0.06 -5.34 -0.12 -1.26 0.45 117.98 108.57 2f5i s PHE 94 Ca 0.11 1.68 -0.12 0.00 -0.05 0.00 0.00 56.93 58.55 2f5i s PHE 94 Cb 0.01 0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.74 2f5i s PHE 94 CO -0.04 -0.42 0.29 0.12 -0.05 0.00 0.00 175.22 175.12 2f5i s PHE 95 N -0.01 -0.24 -0.07 3.49 5.36 -0.17 -4.98 117.98 121.36 2f5i s PHE 95 Ca -0.02 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2f5i s PHE 95 Cb -0.04 0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.76 2f5i s PHE 95 CO 0.03 -0.27 -0.05 0.08 -1.46 0.00 0.00 175.22 173.55 2f5i s VAL 96 N -0.60 0.70 0.15 3.12 1.01 -1.26 -1.16 120.40 122.36 2f5i s VAL 96 Ca -0.07 -0.14 -0.33 0.00 0.00 0.00 0.00 61.98 61.44 2f5i s VAL 96 Cb -0.04 -0.75 -0.16 0.00 0.00 0.00 0.00 36.38 35.43 2f5i s VAL 96 CO 0.02 0.29 1.05 0.23 0.00 0.00 0.00 175.10 176.69 2f5i n MET 97 N 4.60 0.82 -0.34 2.72 0.00 -0.31 -4.57 117.12 120.04 2f5i n MET 97 Ca -0.16 0.29 0.06 0.00 0.00 0.00 0.00 57.70 57.90 2f5i n MET 97 Cb 0.50 -1.71 0.15 0.00 0.00 0.00 0.00 33.22 32.16 2f5i n MET 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2f5i n SER 98 N 1.90 -0.32 0.00 7.83 3.41 -1.26 0.13 113.62 125.31 2f5i n SER 98 Ca 0.16 1.63 0.07 0.00 -0.26 0.00 0.00 58.87 60.47 2f5i n SER 98 Cb 0.22 -0.50 0.40 0.00 -0.26 0.00 0.00 64.21 64.08 2f5i n SER 98 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2f5i n ASP 99 N -5.54 0.00 0.00 4.04 4.64 -1.26 -2.98 116.55 115.45 2f5i n ASP 99 Ca 0.16 -0.61 0.00 0.00 -1.38 0.00 0.00 54.79 52.96 2f5i n ASP 99 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 2f5i n ASP 99 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 2f5i n TYR 100 N -0.91 0.00 -1.27 -0.67 4.01 0.34 -5.05 117.16 113.62 2f5i n TYR 100 Ca 0.10 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.53 2f5i n TYR 100 Cb 0.05 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.17 2f5i n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2f5i s ARG 101 N -0.71 2.19 -0.07 -0.72 0.52 -0.98 -3.79 118.95 115.40 2f5i s ARG 101 Ca 0.00 1.24 -0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2f5i s ARG 101 Cb 0.00 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.59 2f5i s ARG 101 CO 0.00 -1.70 0.01 0.41 0.02 0.00 0.00 175.30 174.04 2f5i n GLY 102 N -0.95 0.49 0.00 -3.53 0.00 -1.26 -4.90 105.19 95.03 2f5i n GLY 102 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2f5i n GLY 102 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f5i n PHE 103 N -3.62 0.00 -0.27 1.61 -1.74 -1.25 -5.01 117.46 107.18 2f5i n PHE 103 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 2f5i n PHE 103 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 2f5i n PHE 103 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2f5i n GLY 104 N 0.43 0.70 0.09 4.97 0.00 -1.26 -4.96 105.19 105.17 2f5i n GLY 104 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2f5i n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2f5i h ILE 105 N 0.00 0.88 -0.59 -0.61 2.04 -1.95 -0.12 117.51 117.16 2f5i h ILE 105 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 2f5i h ILE 105 Cb 0.00 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2f5i h ILE 105 CO 0.00 0.00 0.42 1.23 0.00 0.00 0.00 178.15 179.80 2f5i h GLY 106 N -0.11 0.08 1.23 5.37 0.00 -1.94 0.83 103.07 108.53 2f5i h GLY 106 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 47.33 47.09 2f5i h GLY 106 CO -0.02 0.01 -1.40 1.76 0.00 0.00 0.00 176.54 176.89 2f5i h SER 107 N 0.05 0.00 0.28 0.19 0.02 -1.83 -3.27 113.55 108.99 2f5i h SER 107 Ca 0.28 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 2f5i h SER 107 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2f5i h SER 107 CO -0.02 0.82 -0.73 -0.08 -1.14 0.00 0.00 176.83 175.68 2f5i h GLU 108 N 0.00 0.38 -0.49 3.45 4.57 0.31 -3.07 114.58 119.72 2f5i h GLU 108 Ca -0.18 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2f5i h GLU 108 Cb 1.78 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.42 2f5i h GLU 108 CO 0.07 0.96 0.29 0.82 -1.18 0.00 0.00 179.01 179.98 2f5i h ILE 109 N 0.26 1.16 0.00 2.32 2.04 -1.00 -1.78 117.51 120.51 2f5i h ILE 109 Ca -0.03 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2f5i h ILE 109 Cb 1.31 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2f5i h ILE 109 CO 0.12 0.16 -0.09 0.25 0.00 0.00 0.00 178.15 178.59 2f5i h LEU 110 N 0.66 0.00 -0.06 1.44 5.85 -1.60 -2.15 115.31 119.45 2f5i h LEU 110 Ca 0.18 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2f5i h LEU 110 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2f5i h LEU 110 CO -0.03 0.09 -0.07 0.50 -0.34 0.00 0.00 178.44 178.59 2f5i h LYS 111 N 0.00 0.15 -0.95 1.25 3.64 -1.25 -1.76 116.57 117.64 2f5i h LYS 111 Ca -0.00 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2f5i h LYS 111 Cb 0.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2f5i h LYS 111 CO 0.01 0.61 0.62 -0.91 -2.27 0.00 0.00 179.45 177.52 2f5i h ASN 112 N -0.31 1.10 -0.41 4.20 2.35 -1.09 -1.92 115.58 119.50 2f5i h ASN 112 Ca 0.01 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2f5i h ASN 112 Cb 0.59 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2f5i h ASN 112 CO 0.02 0.81 0.24 -0.07 -1.65 0.00 0.00 177.43 176.77 2f5i h LEU 113 N 1.30 0.49 -1.08 1.61 3.38 -1.35 0.08 115.31 119.74 2f5i h LEU 113 Ca 0.35 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2f5i h LEU 113 Cb -0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 2f5i h LEU 113 CO -0.07 0.41 0.62 0.28 0.09 0.00 0.00 178.44 179.77 2f5i h SER 114 N 0.53 0.90 -0.38 -0.43 0.02 -0.74 0.13 113.55 113.59 2f5i h SER 114 Ca 0.15 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 2f5i h SER 114 Cb 0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2f5i h SER 114 CO -0.03 0.51 -0.40 1.56 -1.14 0.00 0.00 176.83 177.33 2f5i h GLN 115 N 0.98 0.94 -0.58 3.45 4.20 -0.54 -0.50 115.11 123.06 2f5i h GLN 115 Ca 0.46 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2f5i h GLN 115 Cb 0.43 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2f5i h GLN 115 CO -0.22 1.16 0.36 0.28 -0.67 0.00 0.00 178.83 179.74 2f5i h VAL 116 N 0.76 1.16 -0.52 -0.54 2.07 0.14 0.20 116.25 119.52 2f5i h VAL 116 Ca 0.06 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2f5i h VAL 116 Cb 1.00 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2f5i h VAL 116 CO 0.10 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.16 2f5i h ALA 117 N 1.19 1.56 0.03 1.67 0.00 -0.56 0.18 119.26 123.33 2f5i h ALA 117 Ca 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2f5i h ALA 117 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2f5i h ALA 117 CO -0.04 0.38 -0.02 1.98 0.00 0.00 0.00 179.25 181.55 2f5i h MET 118 N 0.71 -0.04 0.00 0.00 -1.53 0.22 -2.10 114.93 112.18 2f5i h MET 118 Ca 0.19 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 2f5i h MET 118 Cb -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 2f5i h MET 118 CO -0.03 0.48 0.00 0.07 0.14 0.00 0.00 176.91 177.57 2f5i h ARG 119 N -0.59 0.00 -0.64 0.39 0.11 -0.40 -3.20 114.38 110.06 2f5i h ARG 119 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2f5i h ARG 119 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2f5i h ARG 119 CO 0.01 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.08 2f5i n ARG 121 N 1.18 -6.73 -4.17 0.00 1.74 -1.21 -5.01 116.66 102.46 2f5i n ARG 121 Ca 0.22 0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 57.78 2f5i n ARG 121 Cb 0.65 -5.83 -0.09 0.00 -1.02 0.00 0.00 32.46 26.17 2f5i n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f5i h SER 123 N 5.79 0.41 -5.38 0.00 0.02 -1.73 -3.45 113.55 109.21 2f5i h SER 123 Ca -0.45 -0.31 -0.18 0.00 -0.84 0.00 0.00 61.79 60.01 2f5i h SER 123 Cb 1.19 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 2f5i h SER 123 CO 0.61 1.08 -0.12 -0.44 -1.14 0.00 0.00 176.83 176.82 2f5i s SER 124 N -6.99 0.49 -0.12 3.07 0.01 -1.26 -5.06 113.70 103.84 2f5i s SER 124 Ca -0.05 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2f5i s SER 124 Cb 0.10 0.66 0.02 0.00 0.21 0.00 0.00 66.02 67.01 2f5i s SER 124 CO 0.84 -1.29 -0.10 -0.32 0.41 0.00 0.00 173.24 172.78 2f5i s MET 125 N -3.26 1.82 0.17 12.44 1.75 -1.25 -0.94 119.30 130.03 2f5i s MET 125 Ca 0.27 -0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.38 2f5i s MET 125 Cb -0.01 -1.76 -0.04 0.00 2.84 0.00 0.00 34.83 35.87 2f5i s MET 125 CO 0.16 -0.23 0.14 -1.01 -0.65 0.00 0.00 175.02 173.43 2f5i s HIS 126 N 1.53 3.15 0.08 4.11 3.76 0.56 -4.95 115.29 123.54 2f5i s HIS 126 Ca 0.03 -0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 54.65 2f5i s HIS 126 Cb -0.13 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 32.13 2f5i s HIS 126 CO -0.08 0.52 0.98 -0.59 -0.85 0.00 0.00 174.74 174.73 2f5i s PHE 127 N -1.77 -0.18 0.05 1.40 -0.12 -1.26 -0.54 117.98 115.56 2f5i s PHE 127 Ca 0.31 -0.06 0.04 0.00 -0.05 0.00 0.00 56.93 57.17 2f5i s PHE 127 Cb -0.10 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2f5i s PHE 127 CO 0.24 -0.68 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.21 2f5i s LEU 128 N -2.81 3.44 -0.03 -1.99 1.43 -1.26 -5.06 118.68 112.41 2f5i s LEU 128 Ca 0.10 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2f5i s LEU 128 Cb -0.01 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2f5i s LEU 128 CO -0.02 0.22 0.01 -0.69 0.23 0.00 0.00 176.35 176.11 2f5i s VAL 129 N -1.20 0.10 0.21 -1.59 1.01 -1.26 -5.10 120.40 112.57 2f5i s VAL 129 Ca 0.23 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 2f5i s VAL 129 Cb -0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 36.38 35.95 2f5i s VAL 129 CO 0.14 0.13 1.52 0.00 0.00 0.00 0.00 175.10 176.89 2f5i s ALA 130 N 1.08 3.72 0.07 5.51 0.00 -1.26 -4.86 121.76 126.01 2f5i s ALA 130 Ca -0.09 1.37 0.28 0.00 0.00 0.00 0.00 51.96 53.52 2f5i s ALA 130 Cb -0.13 -3.60 1.53 0.00 0.00 0.00 0.00 23.12 20.91 2f5i s ALA 130 CO -0.02 -0.79 1.86 1.05 0.00 0.00 0.00 175.76 177.86 2f5i h GLU 131 N 5.93 0.00 0.00 0.00 4.11 -2.04 -1.54 114.58 121.04 2f5i h GLU 131 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2f5i h GLU 131 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2f5i h GLU 131 CO 0.85 0.00 -0.82 -2.67 0.07 0.00 0.00 179.01 176.44 2f5i n TRP 132 N -2.49 0.22 -1.86 2.06 4.27 -1.26 -4.58 117.44 113.80 2f5i n TRP 132 Ca -0.02 0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.24 2f5i n TRP 132 Cb 0.06 -0.39 -0.00 0.00 -1.36 0.00 0.00 31.31 29.62 2f5i n TRP 132 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2f5i n ASN 133 N -1.82 5.00 -0.32 -0.67 2.85 -0.58 -4.78 115.26 114.93 2f5i n ASN 133 Ca 0.03 -2.90 0.16 0.00 -0.11 0.00 0.00 54.58 51.76 2f5i n ASN 133 Cb 0.40 -1.58 0.35 0.00 1.24 0.00 0.00 39.78 40.19 2f5i n ASN 133 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2f5i h GLU 134 N 5.73 0.38 0.57 1.20 4.57 -1.83 -1.91 114.58 123.30 2f5i h GLU 134 Ca 0.57 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.69 2f5i h GLU 134 Cb 0.58 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2f5i h GLU 134 CO 1.79 0.25 -0.28 -1.00 -1.18 0.00 0.00 179.01 178.59 2f5i h PRO 135 N 0.40 -0.74 -0.56 0.92 0.13 -1.98 -1.56 132.00 128.61 2f5i h PRO 135 Ca 0.61 0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.88 2f5i h PRO 135 Cb 1.22 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.45 2f5i h PRO 135 CO -0.55 -0.49 0.17 0.77 -0.23 0.00 0.00 178.00 177.66 2f5i h SER 136 N -0.77 0.13 -1.01 1.44 0.02 -1.82 0.35 113.55 111.89 2f5i h SER 136 Ca -0.08 0.08 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 2f5i h SER 136 Cb 0.59 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.12 2f5i h SER 136 CO 0.13 0.09 0.62 0.40 -1.14 0.00 0.00 176.83 176.93 2f5i h ILE 137 N 0.33 0.79 -0.07 3.27 2.04 -1.20 0.54 117.51 123.21 2f5i h ILE 137 Ca 0.28 -0.29 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 2f5i h ILE 137 Cb 0.36 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2f5i h ILE 137 CO -0.31 0.16 -0.75 0.78 0.00 0.00 0.00 178.15 178.03 2f5i h ASN 138 N 0.86 0.79 -0.83 1.72 2.35 0.09 -1.58 115.58 118.97 2f5i h ASN 138 Ca 0.55 -0.68 0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2f5i h ASN 138 Cb 0.74 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 2f5i h ASN 138 CO -0.34 1.35 0.54 0.15 -1.65 0.00 0.00 177.43 177.49 2f5i h PHE 139 N 0.28 0.87 0.09 1.19 3.57 0.11 -2.58 116.94 120.48 2f5i h PHE 139 Ca -0.07 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.15 2f5i h PHE 139 Cb 1.40 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2f5i h PHE 139 CO 0.11 0.42 -1.53 1.88 -2.23 0.00 0.00 178.31 176.96 2f5i h TYR 140 N 0.82 0.36 -4.41 0.41 -1.99 -0.97 -3.39 116.97 107.80 2f5i h TYR 140 Ca 0.38 -0.26 -0.48 0.00 2.00 0.00 0.00 58.73 60.37 2f5i h TYR 140 Cb 0.38 -0.01 0.10 0.00 2.00 0.00 0.00 36.73 39.20 2f5i h TYR 140 CO -0.00 1.32 0.37 0.15 -0.00 0.00 0.00 178.16 180.00 2f5i s LYS 141 N -2.62 2.15 0.00 4.88 1.02 -0.60 -0.83 119.74 123.74 2f5i s LYS 141 Ca -0.08 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.33 2f5i s LYS 141 Cb 0.07 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2f5i s LYS 141 CO 0.84 -1.53 0.00 0.54 -0.92 0.00 0.00 175.35 174.28 2f5i n ARG 142 N -3.33 0.00 0.00 1.68 3.00 -1.26 -4.37 116.66 112.38 2f5i n ARG 142 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 58.00 2f5i n ARG 142 Cb 0.58 -2.51 0.07 0.00 0.00 0.00 0.00 32.46 30.61 2f5i n ARG 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2f5i n ARG 143 N -1.73 1.48 0.00 5.56 0.63 -1.03 -4.95 116.66 116.63 2f5i n ARG 143 Ca 0.00 -1.55 0.00 0.00 -0.92 0.00 0.00 57.85 55.38 2f5i n ARG 143 Cb 0.00 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2f5i n ARG 143 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2f5i n GLY 144 N 1.01 1.83 3.72 5.14 0.00 -1.15 -5.06 105.19 110.68 2f5i n GLY 144 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2f5i n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f5i n ALA 145 N -1.40 1.36 -2.43 4.61 0.00 -0.01 -4.96 120.51 117.68 2f5i n ALA 145 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 2f5i n ALA 145 Cb 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 16.99 2f5i n ALA 145 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2f5i s SER 146 N -0.83 2.50 -0.65 0.00 1.04 -1.26 -4.47 113.70 110.02 2f5i s SER 146 Ca 0.69 -0.43 -0.23 0.00 0.48 0.00 0.00 55.95 56.46 2f5i s SER 146 Cb -0.44 -0.25 0.07 0.00 0.10 0.00 0.00 66.02 65.49 2f5i s SER 146 CO 0.52 0.23 0.97 -0.62 0.98 0.00 0.00 173.24 175.32 2f5i s ASP 147 N -0.73 6.19 0.32 7.02 -1.08 -1.26 -4.90 116.67 122.22 2f5i s ASP 147 Ca 0.08 -0.90 0.11 0.00 -0.52 0.00 0.00 52.55 51.32 2f5i s ASP 147 Cb -0.08 -2.43 0.52 0.00 -1.46 0.00 0.00 42.92 39.47 2f5i s ASP 147 CO 0.00 -1.44 1.71 -0.07 0.52 0.00 0.00 175.17 175.89 2f5i h LEU 148 N 11.39 0.00 -0.67 -1.34 3.38 -1.98 -1.92 115.31 124.17 2f5i h LEU 148 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 2f5i h LEU 148 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2f5i h LEU 148 CO 1.18 0.51 -0.14 0.28 0.09 0.00 0.00 178.44 180.35 2f5i h SER 149 N 0.00 0.89 0.17 -0.43 0.02 -1.91 0.19 113.55 112.49 2f5i h SER 149 Ca -0.01 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2f5i h SER 149 Cb 0.90 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2f5i h SER 149 CO 0.07 1.03 -0.08 -1.28 -1.14 0.00 0.00 176.83 175.42 2f5i h SER 150 N 0.79 -0.20 0.28 3.07 0.87 -1.84 0.34 113.55 116.86 2f5i h SER 150 Ca 0.12 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2f5i h SER 150 Cb 0.67 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2f5i h SER 150 CO 0.05 0.18 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.06 2f5i h GLU 151 N -0.60 -0.36 -0.13 2.24 5.08 -1.34 -3.36 114.58 116.11 2f5i h GLU 151 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f5i h GLU 151 Cb 0.45 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2f5i h GLU 151 CO 0.04 -0.08 0.00 0.39 -1.00 0.00 0.00 179.01 178.36 2f5i n GLU 152 N -5.15 1.75 -1.06 2.33 1.02 0.05 -5.00 120.64 114.58 2f5i n GLU 152 Ca -0.10 -1.73 -0.02 0.00 -0.02 0.00 0.00 57.16 55.30 2f5i n GLU 152 Cb 0.24 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 2f5i n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f5i n GLY 153 N 1.03 0.51 3.73 0.62 0.00 0.12 -4.98 105.19 106.22 2f5i n GLY 153 Ca 0.12 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2f5i n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f5i s TRP 154 N -1.87 2.97 0.02 1.61 0.52 -1.23 -4.97 118.94 115.99 2f5i s TRP 154 Ca 0.00 0.78 0.07 0.00 0.02 0.00 0.00 56.10 56.97 2f5i s TRP 154 Cb 0.00 -3.93 -0.02 0.00 -1.15 0.00 0.00 33.47 28.36 2f5i s TRP 154 CO 0.00 -3.25 -0.22 1.03 0.02 0.00 0.00 176.95 174.52 2f5i s ARG 155 N 0.27 1.62 -0.08 4.98 0.52 -1.26 -4.49 118.95 120.51 2f5i s ARG 155 Ca 0.65 -0.90 -0.24 0.00 -0.52 0.00 0.00 55.73 54.72 2f5i s ARG 155 Cb -0.44 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2f5i s ARG 155 CO 0.39 0.44 0.74 -1.17 0.02 0.00 0.00 175.30 175.72 2f5i s LEU 156 N -0.91 4.30 0.23 2.53 2.96 -1.26 -5.06 118.68 121.47 2f5i s LEU 156 Ca 0.09 1.22 0.12 0.00 -0.22 0.00 0.00 54.13 55.34 2f5i s LEU 156 Cb -0.09 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 2f5i s LEU 156 CO 0.01 -0.17 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.28 2f5i s PHE 157 N 1.03 2.28 -0.07 5.38 0.40 -1.26 -5.15 117.98 120.60 2f5i s PHE 157 Ca 0.39 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 2f5i s PHE 157 Cb -0.18 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.30 2f5i s PHE 157 CO 0.18 0.58 0.30 0.21 0.70 0.00 0.00 175.22 177.19 2f5i s LYS 158 N -3.01 0.50 -0.18 0.44 2.20 -1.26 -5.13 119.74 113.30 2f5i s LYS 158 Ca 0.24 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2f5i s LYS 158 Cb -0.07 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2f5i s LYS 158 CO 0.12 -0.11 -0.09 0.42 -0.36 0.00 0.00 175.35 175.33 2f5i s ILE 159 N -0.56 1.45 1.02 5.43 1.01 -1.26 -5.14 121.20 123.16 2f5i s ILE 159 Ca -0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 2f5i s ILE 159 Cb -0.04 -1.53 0.20 0.00 0.01 0.00 0.00 42.46 41.10 2f5i s ILE 159 CO 0.02 0.20 1.13 1.51 0.00 0.00 0.00 174.94 177.80 2f5i s ASP 160 N 1.49 2.47 0.12 3.58 -4.77 -1.26 -4.72 116.67 113.59 2f5i s ASP 160 Ca 0.00 0.90 -0.27 0.00 -3.30 0.00 0.00 52.55 49.88 2f5i s ASP 160 Cb -0.15 -1.39 -0.05 0.00 -1.09 0.00 0.00 42.92 40.24 2f5i s ASP 160 CO -0.08 -3.19 1.61 0.50 0.70 0.00 0.00 175.17 174.71 2f5i h LYS 161 N -1.94 -0.46 -0.86 2.11 3.64 -2.00 -0.25 116.57 116.81 2f5i h LYS 161 Ca -0.50 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.11 2f5i h LYS 161 Cb 1.32 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 33.08 2f5i h LYS 161 CO 0.52 -0.30 -0.03 1.49 -2.27 0.00 0.00 179.45 178.86 2f5i h GLU 162 N -0.47 0.06 0.00 1.90 4.81 -1.99 0.87 114.58 119.75 2f5i h GLU 162 Ca 0.06 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2f5i h GLU 162 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2f5i h GLU 162 CO -0.28 0.04 -0.63 1.88 -0.73 0.00 0.00 179.01 179.29 2f5i h TYR 163 N 0.06 0.00 -0.21 0.92 -1.99 -1.80 -2.61 116.97 111.34 2f5i h TYR 163 Ca 0.48 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 61.07 2f5i h TYR 163 Cb 0.88 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 2f5i h TYR 163 CO -0.50 0.63 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.76 2f5i h LEU 164 N 0.00 0.57 -0.16 3.88 3.38 0.15 -2.72 115.31 120.41 2f5i h LEU 164 Ca -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2f5i h LEU 164 Cb 1.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2f5i h LEU 164 CO 0.08 0.94 0.10 0.25 0.09 0.00 0.00 178.44 179.90 2f5i h LEU 165 N 0.42 0.19 -0.09 1.67 6.46 0.71 -0.06 115.31 124.62 2f5i h LEU 165 Ca 0.03 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2f5i h LEU 165 Cb 0.97 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 2f5i h LEU 165 CO 0.09 0.18 -0.16 0.11 -0.62 0.00 0.00 178.44 178.04 2f5i h LYS 166 N 0.18 -0.21 0.00 1.25 1.57 -1.36 -0.08 116.57 117.93 2f5i h LYS 166 Ca 0.06 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2f5i h LYS 166 Cb 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2f5i h LYS 166 CO -0.01 -0.14 -0.17 0.52 -0.57 0.00 0.00 179.45 179.07 2f5i h MET 167 N -0.22 0.00 0.01 3.15 2.86 -1.31 -0.25 114.93 119.18 2f5i h MET 167 Ca 0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 2f5i h MET 167 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2f5i h MET 167 CO -0.22 0.17 -0.94 0.00 1.06 0.00 0.00 176.91 176.99 2f5i h ALA 168 N 1.83 0.42 0.00 6.32 0.00 -0.01 -3.41 119.26 124.41 2f5i h ALA 168 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2f5i h ALA 168 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2f5i h ALA 168 CO 0.02 0.89 -0.07 0.25 0.00 0.00 0.00 179.25 180.34 2f5i n THR 169 N -3.68 0.12 0.00 0.00 -2.24 -0.14 -5.08 114.28 103.26 2f5i n THR 169 Ca -0.05 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 2f5i n THR 169 Cb 0.84 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 2f5i n THR 169 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88