#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 -0.14 -0.09 5.58 -0.71 -1.26 -4.40 117.98 116.96 2f5i s PHE 4 Ca 0.00 0.29 0.03 0.00 -1.04 0.00 0.00 56.93 56.21 2f5i s PHE 4 Cb 0.00 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 2f5i s PHE 4 CO 0.00 -0.09 -0.19 0.08 -1.34 0.00 0.00 175.22 173.68 2f5i s VAL 5 N -0.48 2.55 -0.22 -2.49 1.01 0.64 -4.94 120.40 116.48 2f5i s VAL 5 Ca 0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2f5i s VAL 5 Cb -0.03 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2f5i s VAL 5 CO -0.10 0.55 0.34 -0.63 0.00 0.00 0.00 175.10 175.27 2f5i s ILE 6 N 0.06 5.23 0.08 2.22 -1.09 -1.26 -0.63 121.20 125.82 2f5i s ILE 6 Ca -0.08 0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 58.82 2f5i s ILE 6 Cb -0.15 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2f5i s ILE 6 CO 0.05 0.26 0.19 0.00 -1.23 0.00 0.00 174.94 174.22 2f5i s ARG 7 N 1.35 0.83 0.14 2.79 1.70 -0.46 -4.96 118.95 120.34 2f5i s ARG 7 Ca 0.16 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.19 2f5i s ARG 7 Cb -0.15 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 2f5i s ARG 7 CO 0.07 -0.26 1.39 -1.25 -1.08 0.00 0.00 175.30 174.18 2f5i s PRO 8 N -3.71 4.32 0.96 3.89 0.04 -1.26 0.21 135.00 139.45 2f5i s PRO 8 Ca 0.04 2.11 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2f5i s PRO 8 Cb 0.04 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.47 2f5i s PRO 8 CO -0.10 -0.42 0.78 0.00 0.04 0.00 0.00 177.00 177.29 2f5i n ALA 9 N 3.64 -1.89 -2.29 8.56 0.00 -0.12 -4.82 120.51 123.60 2f5i n ALA 9 Ca 0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 2f5i n ALA 9 Cb 0.42 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 2f5i n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2f5i s THR 10 N -2.50 1.23 0.49 0.00 -4.23 -1.26 -4.96 115.64 104.40 2f5i s THR 10 Ca 0.62 -2.08 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 2f5i s THR 10 Cb -0.22 -2.01 0.53 0.00 1.34 0.00 0.00 72.50 72.14 2f5i s THR 10 CO 0.63 -0.62 1.72 0.00 -0.54 0.00 0.00 174.62 175.81 2f5i h ALA 11 N 2.66 2.94 0.00 3.99 0.00 -1.96 0.37 119.26 127.26 2f5i h ALA 11 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2f5i h ALA 11 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2f5i h ALA 11 CO 0.64 -1.39 0.00 0.00 0.00 0.00 0.00 179.25 178.49 2f5i n ALA 12 N -2.67 1.58 1.15 0.00 0.00 -1.26 -2.74 120.51 116.58 2f5i n ALA 12 Ca 0.31 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.90 2f5i n ALA 12 Cb 1.32 -1.29 0.26 0.00 0.00 0.00 0.00 19.45 19.74 2f5i n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2f5i n ASP 13 N -1.87 1.15 -0.30 0.00 8.00 0.13 -4.44 116.55 119.21 2f5i n ASP 13 Ca 0.02 -0.93 0.06 0.00 0.71 0.00 0.00 54.79 54.66 2f5i n ASP 13 Cb 0.18 0.26 0.22 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.71 0.38 -0.64 0.00 4.64 -1.84 0.94 113.55 117.75 2f5i h SER 15 Ca 0.46 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.76 2f5i h SER 15 Cb 0.58 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 2f5i h SER 15 CO -0.32 0.27 0.25 0.44 -0.87 0.00 0.00 176.83 176.60 2f5i h ASP 16 N 0.50 0.88 -0.64 4.97 3.32 -1.53 -1.06 116.42 122.86 2f5i h ASP 16 Ca 0.20 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2f5i h ASP 16 Cb 0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2f5i h ASP 16 CO -0.12 0.81 0.22 0.40 -1.72 0.00 0.00 179.24 178.83 2f5i h ILE 17 N 0.90 1.24 -0.65 0.35 2.04 -0.32 0.26 117.51 121.33 2f5i h ILE 17 Ca 0.21 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2f5i h ILE 17 Cb 0.21 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2f5i h ILE 17 CO -0.02 0.31 0.21 0.25 0.00 0.00 0.00 178.15 178.91 2f5i h LEU 18 N 0.91 0.94 -0.19 1.44 5.85 -0.63 0.15 115.31 123.79 2f5i h LEU 18 Ca 0.21 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2f5i h LEU 18 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2f5i h LEU 18 CO -0.01 0.90 0.04 -0.09 -0.34 0.00 0.00 178.44 178.94 2f5i h ARG 19 N 0.94 0.11 0.00 1.25 2.43 -0.40 0.14 114.38 118.85 2f5i h ARG 19 Ca 0.21 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2f5i h ARG 19 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2f5i h ARG 19 CO -0.01 0.08 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.17 2f5i h LEU 20 N 0.12 0.00 -0.33 3.80 3.38 -0.19 -0.94 115.31 121.15 2f5i h LEU 20 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2f5i h LEU 20 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2f5i h LEU 20 CO -0.11 0.29 -0.43 0.40 0.09 0.00 0.00 178.44 178.67 2f5i h ILE 21 N 0.00 1.28 -0.33 1.22 2.04 0.48 0.26 117.51 122.47 2f5i h ILE 21 Ca -0.00 -1.61 -0.09 0.00 1.00 0.00 0.00 64.86 64.16 2f5i h ILE 21 Cb 0.58 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2f5i h ILE 21 CO 0.04 0.53 -0.14 0.11 0.00 0.00 0.00 178.15 178.69 2f5i h LYS 22 N 0.66 0.67 0.00 2.37 1.57 -0.52 -0.00 116.57 121.32 2f5i h LYS 22 Ca 0.04 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2f5i h LYS 22 Cb 1.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2f5i h LYS 22 CO 0.10 0.87 -0.23 1.49 -0.57 0.00 0.00 179.45 181.12 2f5i h GLU 23 N 0.44 0.00 0.01 3.15 4.81 -1.10 -1.33 114.58 120.56 2f5i h GLU 23 Ca 0.08 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.10 2f5i h GLU 23 Cb 0.66 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2f5i h GLU 23 CO 0.04 0.23 -0.91 1.25 -0.73 0.00 0.00 179.01 178.89 2f5i h LEU 24 N 0.00 0.29 -1.73 1.64 5.85 -0.12 -3.16 115.31 118.08 2f5i h LEU 24 Ca -0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2f5i h LEU 24 Cb 0.50 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2f5i h LEU 24 CO 0.03 1.05 0.00 0.00 -0.34 0.00 0.00 178.44 179.18 2f5i n ALA 25 N -2.47 2.41 0.00 1.25 0.00 -0.05 -2.80 120.51 118.86 2f5i n ALA 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2f5i n ALA 25 Cb 0.83 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2f5i n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2f5i n LYS 26 N 0.40 0.00 0.00 0.00 5.02 -1.20 -4.65 118.16 117.74 2f5i n LYS 26 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2f5i n LYS 26 Cb 0.40 -0.60 0.42 0.00 -0.02 0.00 0.00 35.03 35.23 2f5i n LYS 26 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2f5i n TYR 27 N -2.42 0.03 -2.04 2.13 4.11 -1.17 -4.70 117.16 113.10 2f5i n TYR 27 Ca 0.00 0.01 -0.29 0.00 -0.00 0.00 0.00 57.90 57.63 2f5i n TYR 27 Cb 0.31 -0.52 0.06 0.00 -0.00 0.00 0.00 39.34 39.19 2f5i n TYR 27 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2f5i s GLU 28 N -3.01 2.60 -0.05 -3.48 0.41 -1.12 -5.03 118.70 109.01 2f5i s GLU 28 Ca 0.09 0.20 0.03 0.00 -0.41 0.00 0.00 54.97 54.88 2f5i s GLU 28 Cb 0.13 -2.08 -0.06 0.00 -1.78 0.00 0.00 34.13 30.34 2f5i s GLU 28 CO 0.36 -1.11 -0.00 0.66 -0.49 0.00 0.00 175.26 174.67 2f5i n TYR 29 N -2.97 0.00 0.41 1.61 4.02 -1.26 -4.44 117.16 114.52 2f5i n TYR 29 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.00 2f5i n TYR 29 Cb 0.58 -0.25 0.23 0.00 -0.02 0.00 0.00 39.34 39.89 2f5i n TYR 29 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2f5i n MET 30 N -2.32 0.09 0.00 -0.72 2.81 -1.26 -4.85 117.12 110.87 2f5i n MET 30 Ca -0.09 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2f5i n MET 30 Cb 0.65 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2f5i n MET 30 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2f5i n GLU 31 N -1.35 0.00 -2.62 0.03 1.02 -1.26 -4.95 120.64 111.50 2f5i n GLU 31 Ca 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2f5i n GLU 31 Cb 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.48 2f5i n GLU 31 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2f5i n GLU 32 N 7.86 -3.98 -1.41 3.49 0.28 -1.26 -4.89 120.64 120.72 2f5i n GLU 32 Ca 0.00 3.09 -0.39 0.00 -0.16 0.00 0.00 57.16 59.70 2f5i n GLU 32 Cb 0.00 -5.14 0.03 0.00 1.43 0.00 0.00 31.44 27.76 2f5i n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f5i n GLN 33 N 1.18 0.39 -2.10 3.44 10.64 -1.26 -4.89 117.38 124.78 2f5i n GLN 33 Ca -0.21 0.15 -0.41 0.00 -1.83 0.00 0.00 57.00 54.70 2f5i n GLN 33 Cb 0.33 -1.52 -0.02 0.00 -0.86 0.00 0.00 30.24 28.17 2f5i n GLN 33 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2f5i s VAL 34 N -1.77 2.76 -0.13 -0.39 1.01 -1.26 -4.95 120.40 115.66 2f5i s VAL 34 Ca 0.66 0.72 0.13 0.00 0.00 0.00 0.00 61.98 63.48 2f5i s VAL 34 Cb -0.47 -3.46 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 2f5i s VAL 34 CO 0.57 0.15 0.07 -0.38 0.00 0.00 0.00 175.10 175.51 2f5i n ILE 35 N 1.36 0.91 -1.23 2.22 5.41 -1.26 -5.01 119.36 121.77 2f5i n ILE 35 Ca 0.02 -0.59 -0.35 0.00 1.00 0.00 0.00 62.75 62.83 2f5i n ILE 35 Cb 0.42 -0.57 0.10 0.00 -0.71 0.00 0.00 39.64 38.87 2f5i n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2f5i n LEU 36 N -2.50 3.05 -4.59 1.39 4.77 -1.26 -5.04 117.00 112.83 2f5i n LEU 36 Ca -0.22 0.61 -0.27 0.00 -0.03 0.00 0.00 56.01 56.10 2f5i n LEU 36 Cb 0.93 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 2f5i n LEU 36 CO 0.30 -2.23 -0.31 0.42 -1.33 0.00 0.00 177.39 174.24 2f5i s THR 37 N -1.96 1.97 0.42 -5.08 -4.23 -1.26 -5.00 115.64 100.50 2f5i s THR 37 Ca 0.71 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 2f5i s THR 37 Cb -0.32 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 70.81 2f5i s THR 37 CO 0.53 -0.04 1.99 -0.08 -0.54 0.00 0.00 174.62 176.48 2f5i h GLU 38 N 1.85 0.22 -0.37 3.99 4.81 -1.96 -1.18 114.58 121.94 2f5i h GLU 38 Ca -0.43 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2f5i h GLU 38 Cb 1.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2f5i h GLU 38 CO 0.78 0.28 0.05 -0.22 -0.73 0.00 0.00 179.01 179.17 2f5i h LYS 39 N 0.22 0.56 -0.07 1.92 3.11 -1.98 -2.15 116.57 118.18 2f5i h LYS 39 Ca 0.05 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2f5i h LYS 39 Cb 0.22 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2f5i h LYS 39 CO 0.01 0.55 -0.10 -0.44 -2.81 0.00 0.00 179.45 176.66 2f5i h ASP 40 N 0.54 0.20 -0.91 4.20 3.32 -1.61 -2.20 116.42 119.96 2f5i h ASP 40 Ca 0.12 -0.53 0.10 0.00 0.02 0.00 0.00 57.03 56.74 2f5i h ASP 40 Cb 0.27 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 2f5i h ASP 40 CO 0.00 0.69 0.59 -0.07 -1.72 0.00 0.00 179.24 178.73 2f5i h LEU 41 N -0.28 0.84 0.56 1.55 3.38 -1.24 0.19 115.31 120.31 2f5i h LEU 41 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2f5i h LEU 41 Cb 0.65 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2f5i h LEU 41 CO 0.02 0.49 -0.27 -0.07 0.09 0.00 0.00 178.44 178.71 2f5i h LEU 42 N 0.92 -0.64 -1.14 1.67 3.38 -1.37 -1.58 115.31 116.55 2f5i h LEU 42 Ca 0.42 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.54 2f5i h LEU 42 Cb 0.39 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2f5i h LEU 42 CO -0.18 -0.29 0.60 -0.08 0.09 0.00 0.00 178.44 178.57 2f5i h GLU 43 N -1.08 0.86 0.00 1.13 4.81 -1.19 0.64 114.58 119.74 2f5i h GLU 43 Ca -0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2f5i h GLU 43 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2f5i h GLU 43 CO 0.13 0.57 -0.51 -0.44 -0.73 0.00 0.00 179.01 178.02 2f5i h ASP 44 N 0.88 0.00 0.00 1.04 3.32 -0.69 -3.30 116.42 117.68 2f5i h ASP 44 Ca 0.46 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 2f5i h ASP 44 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2f5i h ASP 44 CO -0.22 0.02 -1.25 0.61 -1.72 0.00 0.00 179.24 176.67 2f5i n GLY 45 N 1.18 -0.24 2.49 2.75 0.00 -0.60 0.00 105.19 110.77 2f5i n GLY 45 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.73 2.03 -1.89 1.61 3.01 0.22 -4.67 117.46 116.04 2f5i n PHE 46 Ca -0.02 -2.39 0.00 0.00 1.01 0.00 0.00 57.45 56.05 2f5i n PHE 46 Cb 0.19 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 2f5i n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f5i n GLY 47 N -0.54 5.15 0.00 1.37 0.00 -1.24 -4.82 105.19 105.11 2f5i n GLY 47 Ca 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2f5i n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2f5i n GLU 48 N 0.00 0.00 -4.04 1.61 -0.00 -1.26 -4.40 120.64 112.55 2f5i n GLU 48 Ca 0.00 0.83 -0.31 0.00 -0.00 0.00 0.00 57.16 57.68 2f5i n GLU 48 Cb 0.00 -1.41 -0.16 0.00 -0.00 0.00 0.00 31.44 29.88 2f5i n GLU 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2f5i s HIS 49 N -2.63 2.76 0.09 -1.84 5.65 -1.26 -5.10 115.29 112.96 2f5i s HIS 49 Ca 0.00 -1.85 -0.31 0.00 0.25 0.00 0.00 55.06 53.16 2f5i s HIS 49 Cb 0.00 -1.78 -0.09 0.00 -1.18 0.00 0.00 32.58 29.52 2f5i s HIS 49 CO 0.00 -0.80 1.74 -1.25 -0.65 0.00 0.00 174.74 173.78 2f5i s PRO 50 N 1.28 4.17 0.00 2.88 0.04 -1.26 -4.85 135.00 137.26 2f5i s PRO 50 Ca -0.03 2.45 0.25 0.00 0.04 0.00 0.00 61.00 63.72 2f5i s PRO 50 Cb -0.17 -3.64 0.50 0.00 0.04 0.00 0.00 34.50 31.23 2f5i s PRO 50 CO -0.08 -0.79 1.41 1.19 0.04 0.00 0.00 177.00 178.77 2f5i n PHE 51 N 5.78 0.00 -3.50 0.56 3.01 0.10 -4.94 117.46 118.47 2f5i n PHE 51 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.49 2f5i n PHE 51 Cb 0.40 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 39.77 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 -2.36 -0.55 0.10 1.38 -0.85 -1.25 -4.89 117.35 108.93 2f5i s TYR 52 Ca 0.25 0.76 0.08 0.00 -0.52 0.00 0.00 57.07 57.64 2f5i s TYR 52 Cb 0.19 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 2f5i s TYR 52 CO 0.48 -0.62 -0.21 -1.01 -1.52 0.00 0.00 175.55 172.68 2f5i s HIS 53 N -2.00 1.77 0.02 -3.49 3.76 0.23 -4.67 115.29 110.91 2f5i s HIS 53 Ca -0.05 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 2f5i s HIS 53 Cb -0.00 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 2f5i s HIS 53 CO 0.01 0.21 -0.09 0.00 -0.85 0.00 0.00 174.74 174.02 2f5i s LEU 55 N -0.77 3.18 -0.01 0.00 1.43 -0.30 -0.94 118.68 121.27 2f5i s LEU 55 Ca -0.01 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2f5i s LEU 55 Cb -0.06 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2f5i s LEU 55 CO 0.00 0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 176.02 2f5i s VAL 56 N -1.01 1.19 -0.41 -1.59 1.01 0.13 -1.47 120.40 118.25 2f5i s VAL 56 Ca 0.17 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2f5i s VAL 56 Cb -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2f5i s VAL 56 CO 0.08 0.33 0.46 0.00 0.00 0.00 0.00 175.10 175.97 2f5i s ALA 57 N -0.37 3.43 -0.15 5.51 0.00 -0.13 -1.35 121.76 128.70 2f5i s ALA 57 Ca 0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 2f5i s ALA 57 Cb -0.06 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2f5i s ALA 57 CO -0.01 -1.52 -0.05 -2.00 0.00 0.00 0.00 175.76 172.19 2f5i s GLU 58 N 2.24 3.64 0.05 0.00 2.12 0.20 -0.77 118.70 126.18 2f5i s GLU 58 Ca 0.14 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.95 2f5i s GLU 58 Cb -0.16 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 2f5i s GLU 58 CO 0.14 0.24 0.09 0.14 -0.54 0.00 0.00 175.26 175.33 2f5i s VAL 59 N 0.35 4.66 0.78 3.70 -7.23 0.17 -0.26 120.40 122.57 2f5i s VAL 59 Ca -0.05 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 2f5i s VAL 59 Cb -0.14 -3.21 0.05 0.00 0.56 0.00 0.00 36.38 33.64 2f5i s VAL 59 CO 0.03 0.19 1.10 -2.65 -0.31 0.00 0.00 175.10 173.47 2f5i n PRO 60 N 0.66 0.30 0.31 4.82 -0.02 -1.26 -4.73 135.00 135.07 2f5i n PRO 60 Ca -0.10 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.64 2f5i n PRO 60 Cb 0.52 -2.36 0.41 0.00 -0.02 0.00 0.00 33.50 32.05 2f5i n PRO 60 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2f5i h LYS 61 N -0.68 0.00 0.02 -0.52 3.64 -1.98 -0.50 116.57 116.54 2f5i h LYS 61 Ca -0.47 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2f5i h LYS 61 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2f5i h LYS 61 CO 0.46 0.00 -0.11 0.93 -2.27 0.00 0.00 179.45 178.46 2f5i h GLU 62 N 0.00 0.05 -1.23 1.90 5.08 -2.01 -3.36 114.58 115.00 2f5i h GLU 62 Ca 0.02 -0.07 -0.39 0.00 -1.00 0.00 0.00 59.36 57.92 2f5i h GLU 62 Cb 1.39 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.48 2f5i h GLU 62 CO -0.00 0.99 0.51 0.72 -1.00 0.00 0.00 179.01 180.23 2f5i n HIS 63 N -4.56 2.01 -1.07 4.33 8.25 -0.20 -4.99 115.22 118.99 2f5i n HIS 63 Ca -0.10 -1.95 -0.29 0.00 -0.26 0.00 0.00 57.72 55.12 2f5i n HIS 63 Cb 0.51 -0.96 0.17 0.00 1.12 0.00 0.00 29.99 30.84 2f5i n HIS 63 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2f5i s TRP 64 N -2.30 2.05 0.47 4.41 0.52 -1.22 -4.81 118.94 118.07 2f5i s TRP 64 Ca 0.39 1.15 -0.22 0.00 0.02 0.00 0.00 56.10 57.44 2f5i s TRP 64 Cb 0.32 -3.20 -0.07 0.00 -1.15 0.00 0.00 33.47 29.36 2f5i s TRP 64 CO 0.02 -2.85 1.12 0.99 0.02 0.00 0.00 176.95 176.25 2f5i s THR 65 N -2.87 3.33 0.49 2.01 2.01 0.13 -4.80 115.64 115.94 2f5i s THR 65 Ca 0.65 0.93 0.27 0.00 0.31 0.00 0.00 61.69 63.85 2f5i s THR 65 Cb -0.19 -3.44 0.46 0.00 0.01 0.00 0.00 72.50 69.33 2f5i s THR 65 CO 0.58 -0.08 1.84 -0.65 -0.69 0.00 0.00 174.62 175.63 2f5i h PRO 66 N 1.85 0.15 -0.00 4.92 0.11 -1.95 1.97 132.00 139.05 2f5i h PRO 66 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2f5i h PRO 66 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2f5i h PRO 66 CO 0.60 0.10 -0.07 0.39 -0.21 0.00 0.00 178.00 178.81 2f5i n GLU 67 N -4.37 0.62 -0.87 1.05 -0.58 -1.26 -4.93 120.64 110.29 2f5i n GLU 67 Ca 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2f5i n GLU 67 Cb 0.94 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2f5i n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2f5i n GLY 68 N 1.26 0.66 3.02 0.62 0.00 0.67 -5.12 105.19 106.30 2f5i n GLY 68 Ca 0.15 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.58 0.69 -1.57 1.61 3.76 -1.23 -4.82 115.29 111.16 2f5i s HIS 69 Ca 0.00 -0.23 0.22 0.00 -0.15 0.00 0.00 55.06 54.90 2f5i s HIS 69 Cb 0.00 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 2f5i s HIS 69 CO 0.00 -0.02 1.05 -1.13 -0.85 0.00 0.00 174.74 173.79 2f5i n SER 70 N 2.46 1.51 -4.44 1.40 3.41 -1.26 -0.69 113.62 116.01 2f5i n SER 70 Ca -0.16 -1.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.81 2f5i n SER 70 Cb 0.57 0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.71 4.93 -0.34 -1.33 -1.09 -1.26 0.42 121.20 119.82 2f5i s ILE 71 Ca 0.14 -0.61 0.12 0.00 -2.23 0.00 0.00 60.65 58.08 2f5i s ILE 71 Cb 0.17 -3.67 0.32 0.00 -1.58 0.00 0.00 42.46 37.71 2f5i s ILE 71 CO 0.69 -0.17 1.24 1.33 -1.23 0.00 0.00 174.94 176.81 2f5i n VAL 72 N 5.07 1.62 -3.62 2.92 0.24 0.05 -5.01 118.33 119.60 2f5i n VAL 72 Ca -0.12 -1.55 -0.01 0.00 -2.04 0.00 0.00 64.34 60.62 2f5i n VAL 72 Cb 0.47 0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.70 -0.30 0.01 7.63 0.00 -1.24 -1.28 107.32 110.45 2f5i s GLY 73 Ca 0.27 1.57 -0.28 0.00 0.00 0.00 0.00 44.72 46.28 2f5i s GLY 73 CO 0.08 0.48 0.83 -0.11 0.00 0.00 0.00 173.10 174.38 2f5i s PHE 74 N -2.10 -0.40 -0.01 1.90 -0.12 -0.38 -0.95 117.98 115.92 2f5i s PHE 74 Ca 0.12 0.32 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 2f5i s PHE 74 Cb 0.02 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 2f5i s PHE 74 CO -0.04 -0.59 -0.06 0.00 -0.05 0.00 0.00 175.22 174.48 2f5i s ALA 75 N -2.99 0.56 -0.13 1.99 0.00 -0.54 -1.23 121.76 119.42 2f5i s ALA 75 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2f5i s ALA 75 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2f5i s ALA 75 CO -0.08 0.10 -0.17 1.41 0.00 0.00 0.00 175.76 177.02 2f5i s MET 76 N 0.09 3.23 0.22 0.00 1.75 0.25 -1.15 119.30 123.70 2f5i s MET 76 Ca -0.01 -0.76 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 2f5i s MET 76 Cb -0.05 -2.54 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 2f5i s MET 76 CO -0.00 0.13 0.23 1.52 -0.65 0.00 0.00 175.02 176.25 2f5i s TYR 77 N 0.52 0.98 0.28 4.11 -0.85 0.83 -0.13 117.35 123.09 2f5i s TYR 77 Ca -0.11 -1.22 -0.21 0.00 -0.52 0.00 0.00 57.07 55.01 2f5i s TYR 77 Cb -0.16 -0.36 0.03 0.00 0.38 0.00 0.00 41.96 41.85 2f5i s TYR 77 CO 0.04 -0.75 0.75 1.52 -1.52 0.00 0.00 175.55 175.59 2f5i s TYR 78 N -4.07 -0.15 -0.11 -3.49 -0.85 -0.74 0.75 117.35 108.69 2f5i s TYR 78 Ca 0.35 -0.32 -0.06 0.00 -0.52 0.00 0.00 57.07 56.51 2f5i s TYR 78 Cb 0.05 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 43.07 2f5i s TYR 78 CO 0.12 -1.24 0.12 -0.06 -1.52 0.00 0.00 175.55 172.97 2f5i s PHE 79 N -3.67 3.53 0.52 -3.49 0.08 -1.26 -0.27 117.98 113.42 2f5i s PHE 79 Ca 0.12 0.47 0.01 0.00 0.12 0.00 0.00 56.93 57.65 2f5i s PHE 79 Cb -0.05 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2f5i s PHE 79 CO 0.07 0.69 0.00 -0.08 -0.10 0.00 0.00 175.22 175.81 2f5i s THR 80 N -1.00 1.08 0.01 0.64 -1.32 -0.25 -4.92 115.64 109.88 2f5i s THR 80 Ca 0.15 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.64 2f5i s THR 80 Cb -0.12 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.78 2f5i s THR 80 CO 0.04 0.00 -0.04 -0.47 -2.21 0.00 0.00 174.62 171.94 2f5i s TYR 81 N -2.89 0.37 -0.10 9.09 5.04 -1.26 -1.40 117.35 126.19 2f5i s TYR 81 Ca 0.03 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 2f5i s TYR 81 Cb 0.01 -0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.10 2f5i s TYR 81 CO 0.01 -0.05 -0.15 0.34 -1.34 0.00 0.00 175.55 174.36 2f5i s ASP 82 N -0.61 2.36 0.54 4.32 2.15 -0.51 -4.96 116.67 119.97 2f5i s ASP 82 Ca -0.04 -0.41 0.27 0.00 0.43 0.00 0.00 52.55 52.81 2f5i s ASP 82 Cb -0.04 -1.06 1.44 0.00 -0.30 0.00 0.00 42.92 42.95 2f5i s ASP 82 CO -0.00 0.03 1.96 -0.65 -0.17 0.00 0.00 175.17 176.35 2f5i h PRO 83 N 7.24 0.00 0.19 4.34 0.11 -2.01 0.25 132.00 142.11 2f5i h PRO 83 Ca -0.30 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.47 2f5i h PRO 83 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2f5i h PRO 83 CO 0.48 0.00 -1.69 -1.49 -0.21 0.00 0.00 178.00 175.09 2f5i h TRP 84 N 0.00 0.72 0.00 0.65 6.55 -2.05 -3.42 115.95 118.40 2f5i h TRP 84 Ca 0.28 -0.52 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2f5i h TRP 84 Cb 1.18 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.45 2f5i h TRP 84 CO 0.00 1.63 -0.33 1.51 -1.05 0.00 0.00 178.44 180.19 2f5i n ILE 85 N -3.59 0.00 0.00 1.49 3.06 -1.10 -5.14 119.36 114.08 2f5i n ILE 85 Ca -0.23 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 59.81 2f5i n ILE 85 Cb 1.08 0.73 0.00 0.00 0.54 0.00 0.00 39.64 41.99 2f5i n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2f5i n GLY 86 N 1.27 -0.17 3.68 4.50 0.00 0.85 -4.91 105.19 110.41 2f5i n GLY 86 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 2.11 -4.24 1.61 4.81 -1.26 -1.42 118.16 119.77 2f5i n LYS 87 Ca 0.00 0.75 -0.14 0.00 -0.87 0.00 0.00 58.31 58.05 2f5i n LYS 87 Cb 0.00 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 32.56 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 -0.28 2.51 -0.17 3.14 1.43 -0.49 -2.77 118.68 122.05 2f5i s LEU 88 Ca 0.64 -1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2f5i s LEU 88 Cb -0.61 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 2f5i s LEU 88 CO 0.53 -0.36 0.08 -0.22 0.23 0.00 0.00 176.35 176.62 2f5i s LEU 89 N -3.16 3.95 -0.18 1.79 0.20 -0.68 -1.09 118.68 119.52 2f5i s LEU 89 Ca 0.16 0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.15 2f5i s LEU 89 Cb 0.03 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 2f5i s LEU 89 CO 0.00 0.22 -0.17 -0.47 -0.29 0.00 0.00 176.35 175.65 2f5i s TYR 90 N 0.08 2.80 -0.47 5.38 5.04 0.63 -1.19 117.35 129.61 2f5i s TYR 90 Ca 0.06 -1.42 -0.21 0.00 -2.44 0.00 0.00 57.07 53.06 2f5i s TYR 90 Cb -0.12 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 40.29 2f5i s TYR 90 CO 0.00 -0.70 0.71 -1.17 -1.34 0.00 0.00 175.55 173.06 2f5i s LEU 91 N 1.21 4.49 0.03 6.97 2.96 -0.36 -1.80 118.68 132.18 2f5i s LEU 91 Ca 0.02 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.34 2f5i s LEU 91 Cb -0.14 -2.73 -0.25 0.00 0.50 0.00 0.00 46.19 43.57 2f5i s LEU 91 CO -0.08 -0.90 1.11 -0.08 -1.32 0.00 0.00 176.35 175.08 2f5i h GLU 92 N 8.99 0.53 -1.73 1.98 4.57 -0.84 -3.40 114.58 124.68 2f5i h GLU 92 Ca -0.26 -0.60 0.22 0.00 -1.18 0.00 0.00 59.36 57.54 2f5i h GLU 92 Cb 1.09 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.70 2f5i h GLU 92 CO 0.95 1.23 0.71 0.34 -1.18 0.00 0.00 179.01 181.06 2f5i s ASP 93 N -7.04 -0.19 -0.30 1.04 -1.08 -1.02 -4.90 116.67 103.19 2f5i s ASP 93 Ca -0.12 -0.05 -0.12 0.00 -0.52 0.00 0.00 52.55 51.74 2f5i s ASP 93 Cb 0.05 0.23 0.13 0.00 -1.46 0.00 0.00 42.92 41.86 2f5i s ASP 93 CO 0.87 -0.38 0.74 0.72 0.52 0.00 0.00 175.17 177.64 2f5i s PHE 94 N -2.65 -1.13 0.08 -5.34 -0.12 -1.26 0.86 117.98 108.41 2f5i s PHE 94 Ca 0.09 2.02 0.06 0.00 -0.05 0.00 0.00 56.93 59.05 2f5i s PHE 94 Cb -0.00 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 43.03 2f5i s PHE 94 CO -0.05 -0.56 -0.16 0.12 -0.05 0.00 0.00 175.22 174.52 2f5i s PHE 95 N 2.49 1.40 -0.06 3.49 5.36 -0.37 -4.98 117.98 125.31 2f5i s PHE 95 Ca -0.06 -0.44 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 2f5i s PHE 95 Cb -0.09 -0.78 0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2f5i s PHE 95 CO -0.19 0.10 0.01 0.08 -1.46 0.00 0.00 175.22 173.76 2f5i s VAL 96 N -1.20 0.28 0.25 3.12 1.01 -1.26 -1.25 120.40 121.36 2f5i s VAL 96 Ca 0.01 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 2f5i s VAL 96 Cb -0.10 -0.43 -0.15 0.00 0.00 0.00 0.00 36.38 35.70 2f5i s VAL 96 CO 0.03 0.23 0.86 0.23 0.00 0.00 0.00 175.10 176.44 2f5i n MET 97 N 4.91 0.90 -0.14 2.72 0.00 -0.40 -4.63 117.12 120.48 2f5i n MET 97 Ca -0.11 0.31 -0.06 0.00 0.00 0.00 0.00 57.70 57.84 2f5i n MET 97 Cb 0.50 -1.57 -0.05 0.00 0.00 0.00 0.00 33.22 32.10 2f5i n MET 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2f5i h SER 98 N 1.75 -0.97 0.00 7.83 4.64 -1.96 -0.25 113.55 124.58 2f5i h SER 98 Ca -0.36 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2f5i h SER 98 Cb 1.37 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2f5i h SER 98 CO 0.60 -0.15 0.13 0.44 -0.87 0.00 0.00 176.83 176.98 2f5i h ASP 99 N -0.09 0.00 -0.21 4.97 3.32 -1.99 -0.63 116.42 121.80 2f5i h ASP 99 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2f5i h ASP 99 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2f5i h ASP 99 CO -0.37 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.93 2f5i n TYR 100 N -2.29 0.32 -2.04 4.55 4.01 -0.23 -4.84 117.16 116.65 2f5i n TYR 100 Ca -0.01 -0.56 -0.40 0.00 -0.16 0.00 0.00 57.90 56.77 2f5i n TYR 100 Cb 0.16 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2f5i n TYR 100 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2f5i n ARG 101 N -0.01 4.44 -0.07 -0.72 0.63 -0.24 -4.01 116.66 116.68 2f5i n ARG 101 Ca 0.09 -3.46 0.00 0.00 -0.92 0.00 0.00 57.85 53.56 2f5i n ARG 101 Cb 0.42 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.65 2f5i n ARG 101 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2f5i n GLY 102 N 1.91 0.30 0.54 5.14 0.00 -1.26 -4.97 105.19 106.84 2f5i n GLY 102 Ca 0.59 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.70 2f5i n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f5i n PHE 103 N 0.00 0.53 -0.80 1.61 3.01 -1.26 -4.96 117.46 115.59 2f5i n PHE 103 Ca 0.00 -0.95 0.00 0.00 1.01 0.00 0.00 57.45 57.51 2f5i n PHE 103 Cb 0.15 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2f5i n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f5i n GLY 104 N -0.93 0.85 0.46 1.37 0.00 -1.26 -4.96 105.19 100.72 2f5i n GLY 104 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -0.39 -0.61 2.04 -1.93 0.20 117.51 116.82 2f5i h ILE 105 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2f5i h ILE 105 Cb 0.00 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.00 2f5i h ILE 105 CO 0.00 0.00 -0.18 1.23 0.00 0.00 0.00 178.15 179.20 2f5i h GLY 106 N -0.63 0.11 1.30 5.37 0.00 -1.92 0.15 103.07 107.45 2f5i h GLY 106 Ca 0.02 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.63 2f5i h GLY 106 CO -0.38 -0.19 0.35 0.23 0.00 0.00 0.00 176.54 176.56 2f5i h SER 107 N -0.11 0.46 -0.11 0.19 0.87 -1.85 0.28 113.55 113.29 2f5i h SER 107 Ca 0.19 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 2f5i h SER 107 Cb 0.40 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2f5i h SER 107 CO -0.46 0.31 -0.52 -0.08 -0.53 0.00 0.00 176.83 175.55 2f5i h GLU 108 N 0.53 0.69 -0.49 2.24 4.57 0.14 -2.71 114.58 119.55 2f5i h GLU 108 Ca 0.22 -0.42 0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2f5i h GLU 108 Cb 0.22 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2f5i h GLU 108 CO -0.06 1.04 0.29 0.82 -1.18 0.00 0.00 179.01 179.92 2f5i h ILE 109 N 0.53 1.05 -0.28 2.32 2.04 0.12 -1.14 117.51 122.16 2f5i h ILE 109 Ca 0.02 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2f5i h ILE 109 Cb 1.08 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2f5i h ILE 109 CO 0.11 0.11 0.12 -0.07 0.00 0.00 0.00 178.15 178.41 2f5i h LEU 110 N 0.58 0.34 -0.17 1.44 -0.00 -1.16 -0.16 115.31 116.18 2f5i h LEU 110 Ca 0.19 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2f5i h LEU 110 Cb 0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2f5i h LEU 110 CO -0.09 0.31 -0.07 0.50 -0.00 0.00 0.00 178.44 179.09 2f5i h LYS 111 N 0.39 0.35 -0.77 1.13 3.64 -0.97 -1.29 116.57 119.05 2f5i h LYS 111 Ca 0.10 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2f5i h LYS 111 Cb 0.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2f5i h LYS 111 CO -0.01 0.65 0.29 -0.91 -2.27 0.00 0.00 179.45 177.20 2f5i h ASN 112 N 0.04 1.07 -0.39 4.20 2.35 -0.70 -1.47 115.58 120.68 2f5i h ASN 112 Ca 0.04 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2f5i h ASN 112 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2f5i h ASN 112 CO 0.02 0.96 0.17 -0.07 -1.65 0.00 0.00 177.43 176.87 2f5i h LEU 113 N 1.12 0.52 -1.55 1.61 3.38 -0.98 -0.80 115.31 118.62 2f5i h LEU 113 Ca 0.25 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2f5i h LEU 113 Cb 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2f5i h LEU 113 CO -0.02 0.53 0.41 0.28 0.09 0.00 0.00 178.44 179.73 2f5i h SER 114 N 0.49 0.48 -0.19 -0.43 0.02 -0.83 0.11 113.55 113.20 2f5i h SER 114 Ca 0.13 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 2f5i h SER 114 Cb 0.16 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2f5i h SER 114 CO -0.01 0.30 -0.55 1.56 -1.14 0.00 0.00 176.83 176.99 2f5i h GLN 115 N 0.54 0.78 -0.66 3.45 4.20 -0.60 -1.93 115.11 120.88 2f5i h GLN 115 Ca 0.28 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 2f5i h GLN 115 Cb 0.39 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2f5i h GLN 115 CO -0.08 1.12 0.26 0.28 -0.67 0.00 0.00 178.83 179.73 2f5i h VAL 116 N 0.60 1.23 -0.48 -0.54 2.07 0.32 -1.14 116.25 118.31 2f5i h VAL 116 Ca 0.01 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2f5i h VAL 116 Cb 1.14 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2f5i h VAL 116 CO 0.12 0.29 0.13 0.00 0.02 0.00 0.00 177.57 178.13 2f5i h ALA 117 N 1.33 1.34 0.05 1.67 0.00 -0.53 -1.42 119.26 121.69 2f5i h ALA 117 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2f5i h ALA 117 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2f5i h ALA 117 CO -0.02 0.48 -0.02 0.52 0.00 0.00 0.00 179.25 180.21 2f5i h MET 118 N 0.70 -0.06 0.00 0.00 2.07 -0.81 -0.92 114.93 115.91 2f5i h MET 118 Ca 0.16 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.79 2f5i h MET 118 Cb 0.23 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.98 2f5i h MET 118 CO -0.01 0.57 -0.00 0.07 1.07 0.00 0.00 176.91 178.61 2f5i h ARG 119 N -0.80 0.00 -0.52 1.72 0.11 -1.14 -2.09 114.38 111.67 2f5i h ARG 119 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2f5i h ARG 119 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 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 0.77 -6.20 -3.42 0.00 1.74 -0.79 -4.97 116.66 103.79 2f5i n ARG 121 Ca 0.22 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 2f5i n ARG 121 Cb 0.75 -5.59 -0.08 0.00 -1.02 0.00 0.00 32.46 26.52 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 7.32 0.51 -5.13 0.00 4.64 -1.82 -3.44 113.55 115.64 2f5i h SER 123 Ca -0.37 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 2f5i h SER 123 Cb 1.16 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 2f5i h SER 123 CO 0.71 0.61 0.14 -0.94 -0.87 0.00 0.00 176.83 176.49 2f5i s SER 124 N -6.74 0.14 -0.12 4.97 1.04 -1.26 -5.09 113.70 106.64 2f5i s SER 124 Ca -0.08 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.25 2f5i s SER 124 Cb 0.15 0.78 0.02 0.00 0.10 0.00 0.00 66.02 67.06 2f5i s SER 124 CO 0.77 -1.52 -0.14 -0.32 0.98 0.00 0.00 173.24 173.01 2f5i s MET 125 N -2.84 2.19 0.22 4.02 1.75 -1.26 -1.68 119.30 121.71 2f5i s MET 125 Ca 0.18 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 54.14 2f5i s MET 125 Cb -0.04 -1.93 -0.03 0.00 2.84 0.00 0.00 34.83 35.66 2f5i s MET 125 CO 0.12 -0.13 0.26 -1.01 -0.65 0.00 0.00 175.02 173.61 2f5i s HIS 126 N 1.20 3.29 -0.09 4.11 3.76 -0.34 -4.97 115.29 122.25 2f5i s HIS 126 Ca -0.02 -0.04 -0.32 0.00 -0.15 0.00 0.00 55.06 54.53 2f5i s HIS 126 Cb -0.14 -1.51 0.12 0.00 1.11 0.00 0.00 32.58 32.16 2f5i s HIS 126 CO -0.05 0.49 1.16 -0.59 -0.85 0.00 0.00 174.74 174.90 2f5i s PHE 127 N -1.98 -0.14 0.02 1.40 -0.12 -1.26 -1.22 117.98 114.68 2f5i s PHE 127 Ca 0.33 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 57.28 2f5i s PHE 127 Cb -0.09 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2f5i s PHE 127 CO 0.27 -0.32 -0.01 -0.51 -0.05 0.00 0.00 175.22 174.59 2f5i s LEU 128 N -2.49 3.44 -0.05 -1.99 1.43 -1.26 -5.05 118.68 112.70 2f5i s LEU 128 Ca 0.10 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2f5i s LEU 128 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2f5i s LEU 128 CO -0.05 0.26 -0.05 -0.69 0.23 0.00 0.00 176.35 176.05 2f5i s VAL 129 N -1.11 0.63 0.33 -1.59 1.01 -1.26 -5.09 120.40 113.32 2f5i s VAL 129 Ca 0.20 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2f5i s VAL 129 Cb -0.11 -0.65 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 2f5i s VAL 129 CO 0.11 0.26 1.44 0.00 0.00 0.00 0.00 175.10 176.91 2f5i s ALA 130 N 1.06 3.59 0.51 5.51 0.00 -1.26 -4.88 121.76 126.30 2f5i s ALA 130 Ca -0.09 1.44 0.20 0.00 0.00 0.00 0.00 51.96 53.51 2f5i s ALA 130 Cb -0.14 -3.57 1.35 0.00 0.00 0.00 0.00 23.12 20.76 2f5i s ALA 130 CO -0.01 -0.87 2.13 1.05 0.00 0.00 0.00 175.76 178.07 2f5i h GLU 131 N 3.81 0.00 0.00 0.00 4.11 -2.04 -2.27 114.58 118.18 2f5i h GLU 131 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 2f5i h GLU 131 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2f5i h GLU 131 CO 0.70 0.05 -0.03 0.11 0.07 0.00 0.00 179.01 179.91 2f5i h TRP 132 N 0.00 0.00 0.00 2.06 5.08 -2.07 -3.38 115.95 117.64 2f5i h TRP 132 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 2f5i h TRP 132 Cb 0.10 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2f5i h TRP 132 CO 0.00 0.03 3.42 -1.71 -1.28 0.00 0.00 178.44 178.90 2f5i n ASN 133 N -3.11 7.07 -0.30 0.11 2.85 -0.85 -4.71 115.26 116.31 2f5i n ASN 133 Ca 0.03 -2.54 0.22 0.00 -0.11 0.00 0.00 54.58 52.18 2f5i n ASN 133 Cb 0.50 -1.44 0.51 0.00 1.24 0.00 0.00 39.78 40.59 2f5i n ASN 133 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2f5i h GLU 134 N 5.54 0.39 -0.81 1.20 5.08 -1.83 0.89 114.58 125.05 2f5i h GLU 134 Ca 0.73 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 59.03 2f5i h GLU 134 Cb 0.30 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2f5i h GLU 134 CO 1.72 0.26 0.33 -1.35 -1.00 0.00 0.00 179.01 178.97 2f5i h PRO 135 N 0.40 1.20 0.00 2.33 0.11 -1.97 -1.64 132.00 132.42 2f5i h PRO 135 Ca 0.56 -0.21 -0.15 0.00 0.11 0.00 0.00 66.00 66.31 2f5i h PRO 135 Cb 1.42 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2f5i h PRO 135 CO -0.25 0.96 -0.70 1.03 -0.21 0.00 0.00 178.00 178.83 2f5i h SER 136 N 1.17 0.00 0.18 -2.05 0.87 -1.29 -2.52 113.55 109.92 2f5i h SER 136 Ca 0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2f5i h SER 136 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2f5i h SER 136 CO -0.02 0.70 -0.09 0.40 -0.53 0.00 0.00 176.83 177.29 2f5i h ILE 137 N 0.00 0.93 -0.53 2.23 2.04 -0.72 -2.69 117.51 118.78 2f5i h ILE 137 Ca -0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2f5i h ILE 137 Cb 1.30 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2f5i h ILE 137 CO 0.09 0.15 0.12 0.78 0.00 0.00 0.00 178.15 179.29 2f5i h ASN 138 N -0.57 0.76 0.10 1.72 2.35 -1.37 -0.00 115.58 118.57 2f5i h ASN 138 Ca -0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2f5i h ASN 138 Cb 0.43 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2f5i h ASN 138 CO 0.04 0.75 -0.21 0.15 -1.65 0.00 0.00 177.43 176.50 2f5i h PHE 139 N 0.78 -0.61 -0.57 1.19 3.04 -1.41 0.13 116.94 119.48 2f5i h PHE 139 Ca 0.17 0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.26 2f5i h PHE 139 Cb 0.30 0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.03 2f5i h PHE 139 CO 0.02 -0.26 0.39 1.88 -2.02 0.00 0.00 178.31 178.32 2f5i h TYR 140 N -0.34 0.25 -0.70 0.41 -1.99 -1.37 0.19 116.97 113.40 2f5i h TYR 140 Ca -0.01 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2f5i h TYR 140 Cb 0.33 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.95 2f5i h TYR 140 CO -0.29 0.11 0.35 0.87 -0.00 0.00 0.00 178.16 179.20 2f5i h LYS 141 N 0.22 0.99 0.00 4.88 1.79 -0.08 -0.51 116.57 123.87 2f5i h LYS 141 Ca 0.27 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2f5i h LYS 141 Cb 0.77 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2f5i h LYS 141 CO -0.05 0.76 0.00 0.00 -1.08 0.00 0.00 179.45 179.08 2f5i h ARG 142 N 0.99 0.00 -0.71 3.15 3.08 0.21 -2.32 114.38 118.78 2f5i h ARG 142 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2f5i h ARG 142 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2f5i h ARG 142 CO -0.03 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.41 2f5i n ARG 143 N -2.86 3.09 -0.45 0.04 1.74 -0.55 -4.93 116.66 112.74 2f5i n ARG 143 Ca 0.01 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.36 2f5i n ARG 143 Cb 0.27 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2f5i n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f5i n GLY 144 N 1.48 0.77 3.77 -0.13 0.00 -0.87 -5.06 105.19 105.15 2f5i n GLY 144 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2f5i n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f5i s ALA 145 N -2.08 3.00 -0.08 4.61 0.00 -0.31 -5.00 121.76 121.89 2f5i s ALA 145 Ca 0.00 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2f5i s ALA 145 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2f5i s ALA 145 CO 0.00 -0.54 -0.12 -1.12 0.00 0.00 0.00 175.76 173.98 2f5i s SER 146 N -1.43 4.15 -0.78 0.00 0.01 -1.26 -4.54 113.70 109.85 2f5i s SER 146 Ca 0.62 -0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.44 2f5i s SER 146 Cb -0.26 -1.17 0.06 0.00 0.21 0.00 0.00 66.02 64.86 2f5i s SER 146 CO 0.32 0.29 1.16 -0.62 0.41 0.00 0.00 173.24 174.80 2f5i s ASP 147 N -0.36 6.29 0.35 2.44 -1.08 -1.26 -4.87 116.67 118.17 2f5i s ASP 147 Ca 0.04 -1.06 0.10 0.00 -0.52 0.00 0.00 52.55 51.11 2f5i s ASP 147 Cb -0.12 -2.48 0.64 0.00 -1.46 0.00 0.00 42.92 39.49 2f5i s ASP 147 CO 0.02 -1.51 1.80 -0.07 0.52 0.00 0.00 175.17 175.93 2f5i h LEU 148 N 11.94 0.13 -0.81 -1.34 3.38 -1.97 -1.47 115.31 125.16 2f5i h LEU 148 Ca -0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2f5i h LEU 148 Cb 1.05 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2f5i h LEU 148 CO 1.24 0.47 0.38 0.28 0.09 0.00 0.00 178.44 180.90 2f5i h SER 149 N 0.11 1.07 0.27 -0.43 0.02 -1.90 0.82 113.55 113.51 2f5i h SER 149 Ca 0.01 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.62 2f5i h SER 149 Cb 0.66 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2f5i h SER 149 CO 0.05 0.91 -0.84 0.28 -1.14 0.00 0.00 176.83 176.09 2f5i h SER 150 N 1.15 0.54 0.02 3.07 0.02 -1.84 0.18 113.55 116.69 2f5i h SER 150 Ca 0.28 -0.39 -0.18 0.00 -0.84 0.00 0.00 61.79 60.66 2f5i h SER 150 Cb 0.13 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.53 2f5i h SER 150 CO -0.03 1.16 -0.71 -0.33 -1.14 0.00 0.00 176.83 175.78 2f5i h GLU 151 N 0.27 0.45 -0.01 3.45 5.08 -0.85 -3.39 114.58 119.59 2f5i h GLU 151 Ca -0.06 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2f5i h GLU 151 Cb 1.45 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2f5i h GLU 151 CO 0.15 1.16 -0.01 0.39 -1.00 0.00 0.00 179.01 179.70 2f5i n GLU 152 N -4.14 0.00 -0.98 2.33 1.02 0.28 -5.01 120.64 114.14 2f5i n GLU 152 Ca -0.11 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 2f5i n GLU 152 Cb 0.73 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.33 0.53 3.73 0.62 0.00 0.63 -4.99 105.19 106.04 2f5i n GLY 153 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2f5i n GLY 153 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2f5i n TRP 154 N -2.93 2.78 -4.74 1.61 5.03 -1.23 -4.98 117.44 112.98 2f5i n TRP 154 Ca 0.00 0.22 -0.24 0.00 3.03 0.00 0.00 57.50 60.51 2f5i n TRP 154 Cb 0.00 -2.61 -0.15 0.00 -1.03 0.00 0.00 31.31 27.52 2f5i n TRP 154 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 2f5i s ARG 155 N -0.11 1.33 -0.19 -0.99 1.81 -1.26 -4.54 118.95 115.00 2f5i s ARG 155 Ca 0.67 -0.65 -0.22 0.00 -1.72 0.00 0.00 55.73 53.81 2f5i s ARG 155 Cb -0.51 -1.31 -0.02 0.00 -0.45 0.00 0.00 34.95 32.66 2f5i s ARG 155 CO 0.45 0.35 0.67 -1.17 -0.68 0.00 0.00 175.30 174.92 2f5i s LEU 156 N -0.55 4.15 0.15 2.53 2.96 -1.26 -5.06 118.68 121.61 2f5i s LEU 156 Ca 0.06 0.91 0.08 0.00 -0.22 0.00 0.00 54.13 54.96 2f5i s LEU 156 Cb -0.07 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2f5i s LEU 156 CO -0.00 -0.29 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.28 2f5i s PHE 157 N 1.92 2.67 -0.02 5.38 0.40 -1.26 -5.14 117.98 121.93 2f5i s PHE 157 Ca 0.31 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2f5i s PHE 157 Cb -0.16 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.04 2f5i s PHE 157 CO 0.11 0.48 0.09 0.21 0.70 0.00 0.00 175.22 176.81 2f5i s LYS 158 N -2.62 0.26 -0.18 0.44 2.20 -1.26 -5.12 119.74 113.45 2f5i s LYS 158 Ca 0.24 -0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.69 2f5i s LYS 158 Cb -0.10 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.39 2f5i s LYS 158 CO 0.15 -0.05 0.01 0.42 -0.36 0.00 0.00 175.35 175.51 2f5i s ILE 159 N -0.61 0.75 0.98 5.43 1.01 -1.26 -5.14 121.20 122.36 2f5i s ILE 159 Ca -0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 2f5i s ILE 159 Cb -0.04 -1.14 0.18 0.00 0.01 0.00 0.00 42.46 41.47 2f5i s ILE 159 CO 0.00 -0.10 1.20 1.51 0.00 0.00 0.00 174.94 177.55 2f5i s ASP 160 N 1.76 2.92 0.24 3.58 1.47 -1.26 -4.72 116.67 120.66 2f5i s ASP 160 Ca -0.01 0.64 -0.09 0.00 1.18 0.00 0.00 52.55 54.27 2f5i s ASP 160 Cb -0.17 -0.95 0.38 0.00 -0.34 0.00 0.00 42.92 41.84 2f5i s ASP 160 CO -0.07 -2.89 1.63 0.11 0.68 0.00 0.00 175.17 174.63 2f5i h LYS 161 N -1.74 0.07 -0.24 2.11 1.57 -2.01 -1.17 116.57 115.16 2f5i h LYS 161 Ca -0.47 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 2f5i h LYS 161 Cb 1.29 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 2f5i h LYS 161 CO 0.48 0.04 -0.55 1.49 -0.57 0.00 0.00 179.45 180.35 2f5i h GLU 162 N 0.07 -0.49 -0.02 3.15 4.81 -2.00 0.60 114.58 120.70 2f5i h GLU 162 Ca 0.38 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.55 2f5i h GLU 162 Cb 0.65 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2f5i h GLU 162 CO -0.68 -0.33 -0.46 1.88 -0.73 0.00 0.00 179.01 178.69 2f5i h TYR 163 N -0.51 0.05 -0.58 0.92 -1.99 -1.81 -2.63 116.97 110.41 2f5i h TYR 163 Ca 0.05 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 2f5i h TYR 163 Cb 0.65 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.34 2f5i h TYR 163 CO -0.64 0.49 0.15 -0.07 -0.00 0.00 0.00 178.16 178.10 2f5i h LEU 164 N 0.03 0.84 -1.16 3.88 3.38 -0.62 -2.23 115.31 119.43 2f5i h LEU 164 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2f5i h LEU 164 Cb 0.83 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2f5i h LEU 164 CO 0.06 0.81 0.40 0.25 0.09 0.00 0.00 178.44 180.05 2f5i h LEU 165 N 0.87 0.87 0.09 1.67 5.85 -0.52 0.74 115.31 124.88 2f5i h LEU 165 Ca 0.19 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2f5i h LEU 165 Cb 0.30 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2f5i h LEU 165 CO -0.00 0.69 -0.04 0.11 -0.34 0.00 0.00 178.44 178.86 2f5i h LYS 166 N 0.99 -0.12 -0.40 1.25 1.57 -1.32 -1.15 116.57 117.39 2f5i h LYS 166 Ca 0.25 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2f5i h LYS 166 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2f5i h LYS 166 CO -0.04 0.24 0.27 0.52 -0.57 0.00 0.00 179.45 179.86 2f5i h MET 167 N -0.49 0.53 -0.61 3.15 2.86 -1.23 -2.96 114.93 116.18 2f5i h MET 167 Ca -0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2f5i h MET 167 Cb 0.41 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2f5i h MET 167 CO 0.02 0.35 0.32 0.00 1.06 0.00 0.00 176.91 178.65 2f5i h ALA 168 N 1.15 0.78 -0.03 6.32 0.00 -0.87 -3.52 119.26 123.09 2f5i h ALA 168 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2f5i h ALA 168 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2f5i h ALA 168 CO -0.03 0.32 0.00 2.41 0.00 0.00 0.00 179.25 181.95