#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iao s ALA 2 N 0.00 4.11 0.32 0.62 0.00 -1.26 -5.09 121.76 120.47 1iao s ALA 2 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1iao s ALA 2 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1iao s ALA 2 CO 0.00 -0.03 1.28 -0.51 0.00 0.00 0.00 175.76 176.50 1iao s ASP 3 N -3.88 6.84 -0.04 0.00 1.01 -1.26 -5.01 116.67 114.33 1iao s ASP 3 Ca 0.06 2.64 -0.05 0.00 0.71 0.00 0.00 52.55 55.91 1iao s ASP 3 Cb 0.02 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1iao s ASP 3 CO 0.03 -0.48 0.13 -1.00 0.21 0.00 0.00 175.17 174.06 1iao s HIS 4 N -1.14 -0.12 -0.04 4.23 3.76 -1.26 -5.08 115.29 115.64 1iao s HIS 4 Ca 0.48 0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1iao s HIS 4 Cb -0.39 0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.36 1iao s HIS 4 CO 0.51 -0.09 0.01 0.54 -0.85 0.00 0.00 174.74 174.86 1iao s VAL 5 N -0.10 0.20 -0.05 -0.90 0.11 -1.26 -5.03 120.40 113.37 1iao s VAL 5 Ca -0.02 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1iao s VAL 5 Cb -0.02 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1iao s VAL 5 CO 0.00 0.18 0.17 -0.83 -3.33 0.00 0.00 175.10 171.30 1iao s GLY 6 N 1.40 2.18 -0.51 6.54 0.00 -1.26 -1.76 107.32 113.90 1iao s GLY 6 Ca -0.04 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1iao s GLY 6 CO -0.03 -0.54 0.27 -1.36 0.00 0.00 0.00 173.10 171.45 1iao s PHE 7 N -1.22 3.37 -0.43 1.90 0.08 0.06 -5.00 117.98 116.74 1iao s PHE 7 Ca 0.23 -2.96 0.01 0.00 0.12 0.00 0.00 56.93 54.33 1iao s PHE 7 Cb -0.12 -2.97 0.12 0.00 -0.57 0.00 0.00 43.02 39.47 1iao s PHE 7 CO 0.13 -0.82 0.19 0.71 -0.10 0.00 0.00 175.22 175.33 1iao s TYR 8 N 0.06 3.55 0.00 0.36 2.02 -1.26 -1.14 117.35 120.94 1iao s TYR 8 Ca 0.15 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 54.00 1iao s TYR 8 Cb -0.23 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 1iao s TYR 8 CO -0.03 -0.90 0.00 0.41 -1.57 0.00 0.00 175.55 173.47 1iao n GLY 9 N 3.99 0.26 3.58 0.71 0.00 -1.25 -5.09 105.19 107.39 1iao n GLY 9 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.52 1iao n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iao n THR 10 N 0.00 0.30 -4.68 2.61 -1.04 -1.21 -4.87 114.28 105.39 1iao n THR 10 Ca 0.00 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.63 1iao n THR 10 Cb 0.00 -1.50 -0.15 0.00 -1.82 0.00 0.00 70.33 66.85 1iao n THR 10 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1iao s THR 11 N 5.34 1.16 0.04 12.58 2.01 -1.26 -1.35 115.64 134.16 1iao s THR 11 Ca 1.03 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1iao s THR 11 Cb -0.92 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1iao s THR 11 CO 0.56 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.00 1iao s VAL 12 N -0.32 1.01 -0.18 3.82 1.01 -0.33 -4.98 120.40 120.44 1iao s VAL 12 Ca 0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1iao s VAL 12 Cb -0.06 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.44 1iao s VAL 12 CO -0.00 -0.06 0.45 -0.47 0.00 0.00 0.00 175.10 175.01 1iao s TYR 13 N -0.92 -0.60 -0.04 5.22 5.04 -1.26 -1.62 117.35 123.16 1iao s TYR 13 Ca -0.00 1.33 0.05 0.00 -2.44 0.00 0.00 57.07 56.01 1iao s TYR 13 Cb -0.08 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1iao s TYR 13 CO 0.01 -0.32 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.06 1iao s GLN 14 N 0.98 1.92 -0.01 4.97 -0.21 0.29 -5.01 119.66 122.59 1iao s GLN 14 Ca -0.06 -0.71 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 1iao s GLN 14 Cb -0.06 -1.70 -0.07 0.00 1.00 0.00 0.00 33.01 32.19 1iao s GLN 14 CO -0.08 0.33 0.74 1.03 -2.12 0.00 0.00 175.29 175.18 1iao h SER 15 N 6.05 -0.36 -3.38 5.90 0.87 -1.98 -2.59 113.55 118.06 1iao h SER 15 Ca -0.34 0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 59.66 1iao h SER 15 Cb 1.17 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.16 1iao h SER 15 CO 0.48 -0.13 0.89 -2.84 -0.53 0.00 0.00 176.83 174.69 1iao s PRO 16 N -3.18 3.95 0.00 2.24 0.02 -1.26 -2.92 135.00 133.86 1iao s PRO 16 Ca -0.06 0.98 0.00 0.00 0.02 0.00 0.00 61.00 61.94 1iao s PRO 16 Cb 0.01 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.72 1iao s PRO 16 CO 0.19 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 1iao n GLY 17 N 4.20 1.24 4.12 0.52 0.00 -1.26 -4.81 105.19 109.20 1iao n GLY 17 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1iao n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iao n ASP 18 N 0.00 -1.98 -4.70 1.61 9.92 -1.00 -4.89 116.55 115.51 1iao n ASP 18 Ca 0.00 -1.02 -0.38 0.00 -0.53 0.00 0.00 54.79 52.87 1iao n ASP 18 Cb 0.00 -2.84 -0.07 0.00 -0.64 0.00 0.00 41.12 37.57 1iao n ASP 18 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1iao s ILE 19 N -3.61 5.22 0.19 0.53 -1.16 -1.05 -4.93 121.20 116.39 1iao s ILE 19 Ca 0.42 0.72 -0.02 0.00 -0.51 0.00 0.00 60.65 61.25 1iao s ILE 19 Cb -0.23 -3.72 -0.04 0.00 0.61 0.00 0.00 42.46 39.08 1iao s ILE 19 CO 0.91 0.30 0.14 -0.83 -2.81 0.00 0.00 174.94 172.66 1iao s GLY 20 N 0.82 1.24 0.07 1.50 0.00 -1.26 -0.54 107.32 109.14 1iao s GLY 20 Ca 0.20 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.18 1iao s GLY 20 CO 0.07 -1.32 0.43 1.62 0.00 0.00 0.00 173.10 173.90 1iao s GLN 21 N -4.12 0.98 -0.08 2.90 0.74 -0.64 -4.97 119.66 114.47 1iao s GLN 21 Ca 0.34 -0.45 -0.05 0.00 0.05 0.00 0.00 55.36 55.25 1iao s GLN 21 Cb 0.06 0.44 0.04 0.00 1.10 0.00 0.00 33.01 34.65 1iao s GLN 21 CO 0.09 -0.36 0.20 -0.47 -0.55 0.00 0.00 175.29 174.21 1iao s TYR 22 N -2.87 -0.25 0.31 1.67 6.14 -1.26 -1.18 117.35 119.91 1iao s TYR 22 Ca -0.03 0.62 -0.04 0.00 0.64 0.00 0.00 57.07 58.27 1iao s TYR 22 Cb -0.00 0.02 -0.01 0.00 0.42 0.00 0.00 41.96 42.39 1iao s TYR 22 CO -0.05 -0.17 0.42 0.95 0.64 0.00 0.00 175.55 177.34 1iao s THR 23 N 0.87 0.00 -0.07 4.34 -4.23 -0.45 -2.32 115.64 113.77 1iao s THR 23 Ca -0.06 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1iao s THR 23 Cb -0.08 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1iao s THR 23 CO -0.05 0.00 0.18 -1.00 -0.54 0.00 0.00 174.62 173.21 1iao s HIS 24 N -3.40 -0.21 0.12 3.99 3.76 -0.81 -3.30 115.29 115.44 1iao s HIS 24 Ca 0.31 0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1iao s HIS 24 Cb 0.01 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.66 1iao s HIS 24 CO 0.18 -0.15 0.02 -1.21 -0.85 0.00 0.00 174.74 172.73 1iao s GLU 25 N 0.72 0.88 -0.04 1.40 2.02 -0.30 0.76 118.70 124.14 1iao s GLU 25 Ca -0.05 -1.40 -0.01 0.00 0.02 0.00 0.00 54.97 53.53 1iao s GLU 25 Cb -0.07 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.33 1iao s GLU 25 CO -0.04 -0.19 0.04 0.12 0.02 0.00 0.00 175.26 175.21 1iao s PHE 26 N -3.94 0.15 -1.39 1.61 5.36 0.01 -0.76 117.98 119.03 1iao s PHE 26 Ca 0.20 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.29 1iao s PHE 26 Cb 0.07 -0.46 0.02 0.00 -0.34 0.00 0.00 43.02 42.31 1iao s PHE 26 CO -0.01 -0.18 0.69 -0.25 -1.46 0.00 0.00 175.22 174.01 1iao n ASP 27 N 4.93 -1.75 0.00 6.13 8.00 -0.72 -1.32 116.55 131.82 1iao n ASP 27 Ca -0.11 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1iao n ASP 27 Cb 0.50 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1iao n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iao n GLY 28 N -1.68 0.64 3.58 0.44 0.00 -1.26 -4.99 105.19 101.92 1iao n GLY 28 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1iao n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iao s ASP 29 N -2.64 5.27 -0.16 1.61 1.01 -0.44 -5.06 116.67 116.26 1iao s ASP 29 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 52.55 52.97 1iao s ASP 29 Cb 0.00 -1.85 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 1iao s ASP 29 CO 0.00 0.19 1.84 -0.70 0.21 0.00 0.00 175.17 176.72 1iao s GLU 30 N 0.25 3.72 -0.04 8.23 2.12 -1.26 -0.81 118.70 130.91 1iao s GLU 30 Ca 0.01 1.98 -0.17 0.00 0.36 0.00 0.00 54.97 57.15 1iao s GLU 30 Cb -0.13 -4.15 -0.11 0.00 0.26 0.00 0.00 34.13 30.01 1iao s GLU 30 CO 0.01 -1.40 0.70 -0.07 -0.54 0.00 0.00 175.26 173.96 1iao h LEU 31 N 12.23 -0.34 -7.83 2.70 3.38 0.02 -3.42 115.31 122.04 1iao h LEU 31 Ca -0.39 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.58 1iao h LEU 31 Cb 1.19 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 1iao h LEU 31 CO 0.98 0.13 0.38 0.72 0.09 0.00 0.00 178.44 180.74 1iao s PHE 32 N -3.31 -0.12 0.09 1.13 -0.12 -1.14 -1.72 117.98 112.79 1iao s PHE 32 Ca -0.09 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.54 1iao s PHE 32 Cb 0.01 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.04 1iao s PHE 32 CO 0.32 -1.04 -0.09 1.52 -0.05 0.00 0.00 175.22 175.88 1iao s TYR 33 N -3.38 0.95 -0.25 3.49 1.13 -1.00 -1.93 117.35 116.36 1iao s TYR 33 Ca 0.13 -0.72 -0.07 0.00 -1.41 0.00 0.00 57.07 55.00 1iao s TYR 33 Cb -0.03 -0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 40.27 1iao s TYR 33 CO 0.05 -0.06 0.06 0.08 -2.51 0.00 0.00 175.55 173.17 1iao s VAL 34 N -2.71 4.16 -0.28 -3.49 1.01 -0.98 -0.28 120.40 117.82 1iao s VAL 34 Ca 0.06 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1iao s VAL 34 Cb -0.01 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1iao s VAL 34 CO -0.02 0.32 1.83 -0.62 0.00 0.00 0.00 175.10 176.62 1iao s ASP 35 N 1.59 5.93 -0.09 3.32 2.15 0.38 -4.63 116.67 125.32 1iao s ASP 35 Ca 0.06 1.50 -0.28 0.00 0.43 0.00 0.00 52.55 54.26 1iao s ASP 35 Cb -0.15 -2.52 -0.24 0.00 -0.30 0.00 0.00 42.92 39.70 1iao s ASP 35 CO 0.03 -1.64 0.96 -0.07 -0.17 0.00 0.00 175.17 174.27 1iao h LEU 36 N 13.42 0.02 -2.37 -1.34 3.38 -1.93 0.66 115.31 127.15 1iao h LEU 36 Ca -0.35 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 56.81 1iao h LEU 36 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1iao h LEU 36 CO 1.01 0.83 0.00 0.44 0.09 0.00 0.00 178.44 180.81 1iao h ASP 37 N -0.78 0.00 0.00 -0.43 5.19 -1.97 -2.16 116.42 116.26 1iao h ASP 37 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iao h ASP 37 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1iao h ASP 37 CO 0.01 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.42 1iao n LYS 38 N -2.92 2.34 -3.77 3.56 5.02 -1.23 -5.05 118.16 116.12 1iao n LYS 38 Ca -0.02 -1.31 -0.23 0.00 -2.02 0.00 0.00 58.31 54.74 1iao n LYS 38 Cb 0.12 -0.95 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1iao n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iao n LYS 39 N -0.41 -4.55 -3.85 1.97 5.02 0.21 -5.00 118.16 111.56 1iao n LYS 39 Ca 0.00 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.74 1iao n LYS 39 Cb 0.25 -5.04 -0.12 0.00 -0.02 0.00 0.00 35.03 30.10 1iao n LYS 39 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1iao s LYS 40 N -6.13 0.21 -0.33 1.97 2.20 -0.01 -4.87 119.74 112.77 1iao s LYS 40 Ca 0.03 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 1iao s LYS 40 Cb -0.01 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1iao s LYS 40 CO 0.83 -0.04 1.18 0.99 -0.36 0.00 0.00 175.35 177.95 1iao s THR 41 N -0.29 4.32 -0.48 3.43 2.01 -1.26 0.14 115.64 123.51 1iao s THR 41 Ca -0.04 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 1iao s THR 41 Cb -0.03 -4.33 0.11 0.00 0.01 0.00 0.00 72.50 68.27 1iao s THR 41 CO 0.00 -0.53 0.37 -0.69 -0.69 0.00 0.00 174.62 173.08 1iao s VAL 42 N 4.03 4.53 0.05 3.82 1.01 0.61 -4.95 120.40 129.51 1iao s VAL 42 Ca 0.50 -1.59 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 1iao s VAL 42 Cb -0.14 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1iao s VAL 42 CO 0.20 -0.73 1.23 0.26 0.00 0.00 0.00 175.10 176.05 1iao s TRP 43 N 1.45 3.37 0.23 5.22 0.52 -1.26 -2.37 118.94 126.10 1iao s TRP 43 Ca 0.04 1.24 -0.04 0.00 0.02 0.00 0.00 56.10 57.36 1iao s TRP 43 Cb -0.26 -3.46 0.23 0.00 -1.15 0.00 0.00 33.47 28.83 1iao s TRP 43 CO 0.01 -1.43 1.69 -0.09 0.02 0.00 0.00 176.95 177.14 1iao h ARG 44 N 6.90 0.84 -4.39 4.98 2.43 -1.58 -3.33 114.38 120.23 1iao h ARG 44 Ca -0.41 -0.28 -0.72 0.00 -0.81 0.00 0.00 59.98 57.77 1iao h ARG 44 Cb 1.21 -0.07 -0.30 0.00 -0.42 0.00 0.00 29.97 30.39 1iao h ARG 44 CO 0.83 0.90 -0.45 -0.51 -1.51 0.00 0.00 179.97 179.22 1iao s LEU 45 N -9.10 5.39 0.22 3.80 1.02 -1.26 -4.97 118.68 113.78 1iao s LEU 45 Ca -0.10 -1.78 -0.08 0.00 0.02 0.00 0.00 54.13 52.20 1iao s LEU 45 Cb 0.14 -1.96 0.35 0.00 0.02 0.00 0.00 46.19 44.74 1iao s LEU 45 CO 0.83 -0.60 1.72 -0.65 0.02 0.00 0.00 176.35 177.67 1iao h PRO 46 N 8.35 0.34 -0.63 1.29 0.11 -1.96 0.22 132.00 139.74 1iao h PRO 46 Ca -0.20 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.07 1iao h PRO 46 Cb 1.07 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1iao h PRO 46 CO 0.79 0.23 0.55 1.05 -0.21 0.00 0.00 178.00 180.40 1iao h GLU 47 N 0.35 0.00 -0.03 1.05 4.11 -1.94 0.27 114.58 118.40 1iao h GLU 47 Ca 0.35 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.58 1iao h GLU 47 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1iao h GLU 47 CO -0.39 0.00 -0.78 0.74 0.07 0.00 0.00 179.01 178.65 1iao h PHE 48 N 0.00 0.84 0.00 2.06 -1.00 -0.97 -3.15 116.94 114.73 1iao h PHE 48 Ca 0.30 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1iao h PHE 48 Cb 1.39 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1iao h PHE 48 CO 0.00 1.26 0.00 0.41 -1.61 0.00 0.00 178.31 178.37 1iao n GLY 49 N 0.99 -0.51 0.23 -1.45 0.00 0.93 -1.81 105.19 103.56 1iao n GLY 49 Ca -0.10 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1iao n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iao n GLN 50 N -1.14 1.65 0.00 1.61 6.02 -1.05 -4.50 117.38 119.97 1iao n GLN 50 Ca 0.07 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1iao n GLN 50 Cb 0.07 -1.29 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 1iao n GLN 50 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1iao n LEU 51 N -0.61 0.06 -3.85 1.08 7.94 -0.75 -5.04 117.00 115.83 1iao n LEU 51 Ca 0.05 -0.51 -0.12 0.00 -1.11 0.00 0.00 56.01 54.33 1iao n LEU 51 Cb 0.32 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.15 1iao n LEU 51 CO 0.26 0.01 -0.21 -0.63 -1.11 0.00 0.00 177.39 175.71 1iao s ILE 52 N -1.06 0.03 0.04 1.96 -1.09 -0.98 -5.13 121.20 114.97 1iao s ILE 52 Ca 0.00 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.22 1iao s ILE 52 Cb 0.01 -0.28 -0.02 0.00 -1.58 0.00 0.00 42.46 40.59 1iao s ILE 52 CO 0.03 -0.15 -0.21 -0.22 -1.23 0.00 0.00 174.94 173.16 1iao s LEU 53 N -0.49 2.16 -0.17 2.97 2.96 -1.26 -4.54 118.68 120.31 1iao s LEU 53 Ca -0.06 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1iao s LEU 53 Cb -0.04 -0.98 0.06 0.00 0.50 0.00 0.00 46.19 45.73 1iao s LEU 53 CO 0.01 0.16 0.04 0.12 -1.32 0.00 0.00 176.35 175.36 1iao s PHE 54 N -0.79 0.78 0.11 5.38 5.36 -1.26 -5.11 117.98 122.45 1iao s PHE 54 Ca 0.07 -0.63 -0.31 0.00 -0.96 0.00 0.00 56.93 55.10 1iao s PHE 54 Cb -0.09 -0.91 -0.08 0.00 -0.34 0.00 0.00 43.02 41.59 1iao s PHE 54 CO 0.02 -0.55 1.49 -1.21 -1.46 0.00 0.00 175.22 173.51 1iao s GLU 55 N 1.94 4.26 0.35 10.12 2.02 -1.26 -4.79 118.70 131.34 1iao s GLU 55 Ca 0.00 2.20 0.07 0.00 0.02 0.00 0.00 54.97 57.27 1iao s GLU 55 Cb -0.16 -3.30 0.77 0.00 0.10 0.00 0.00 34.13 31.53 1iao s GLU 55 CO -0.08 -0.56 1.90 -1.35 0.02 0.00 0.00 175.26 175.20 1iao h PRO 56 N 7.14 0.72 -0.89 0.39 0.11 -1.97 -2.66 132.00 134.84 1iao h PRO 56 Ca -0.42 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.88 1iao h PRO 56 Cb 1.20 -0.16 -0.16 0.00 0.11 0.00 0.00 31.00 31.99 1iao h PRO 56 CO 0.90 0.48 0.06 1.96 -0.21 0.00 0.00 178.00 181.18 1iao h GLN 57 N 0.74 0.08 -0.29 1.05 7.50 -1.93 0.23 115.11 122.49 1iao h GLN 57 Ca 0.40 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.61 1iao h GLN 57 Cb 0.53 -0.02 -0.08 0.00 0.05 0.00 0.00 27.48 27.97 1iao h GLN 57 CO -0.17 0.05 -0.34 0.78 -1.50 0.00 0.00 178.83 177.66 1iao h GLY 58 N 0.08 -0.36 0.79 3.46 0.00 -1.87 0.28 103.07 105.45 1iao h GLY 58 Ca 0.53 0.42 0.04 0.00 0.00 0.00 0.00 47.33 48.31 1iao h GLY 58 CO -0.79 -0.21 0.27 -1.33 0.00 0.00 0.00 176.54 174.48 1iao h GLY 59 N -0.32 0.69 0.80 4.60 0.00 -0.78 -2.33 103.07 105.74 1iao h GLY 59 Ca 0.14 -0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.39 1iao h GLY 59 CO -0.47 0.14 0.51 1.41 0.00 0.00 0.00 176.54 178.12 1iao h LEU 60 N 0.52 0.58 0.13 3.11 3.38 0.67 -2.07 115.31 121.63 1iao h LEU 60 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1iao h LEU 60 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1iao h LEU 60 CO -0.13 0.33 -0.06 1.56 0.09 0.00 0.00 178.44 180.23 1iao h GLN 61 N 0.63 -0.16 -0.92 1.13 4.20 0.04 -2.49 115.11 117.53 1iao h GLN 61 Ca 0.36 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.14 1iao h GLN 61 Cb 0.55 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1iao h GLN 61 CO -0.14 0.07 0.59 -0.91 -0.67 0.00 0.00 178.83 177.78 1iao h ASN 62 N -0.39 0.95 -0.76 1.46 4.21 -1.30 0.34 115.58 120.09 1iao h ASN 62 Ca -0.02 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.54 1iao h ASN 62 Cb 0.31 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.27 1iao h ASN 62 CO 0.03 0.62 0.47 0.40 -1.29 0.00 0.00 177.43 177.66 1iao h ILE 63 N 1.10 1.07 -0.34 2.81 1.08 -1.31 0.25 117.51 122.17 1iao h ILE 63 Ca 0.39 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1iao h ILE 63 Cb 0.12 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 1iao h ILE 63 CO -0.16 0.16 -0.06 0.00 -0.69 0.00 0.00 178.15 177.41 1iao h ALA 64 N 1.34 0.46 -0.92 1.87 0.00 -0.71 0.73 119.26 122.03 1iao h ALA 64 Ca 0.32 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1iao h ALA 64 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1iao h ALA 64 CO -0.13 0.28 0.60 0.00 0.00 0.00 0.00 179.25 179.99 1iao h ALA 65 N 0.82 1.53 0.06 0.00 0.00 0.61 -0.22 119.26 122.06 1iao h ALA 65 Ca 0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1iao h ALA 65 Cb 0.55 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1iao h ALA 65 CO 0.03 0.32 -1.11 0.93 0.00 0.00 0.00 179.25 179.42 1iao h GLU 66 N 1.01 0.52 -0.39 0.00 4.39 -0.25 0.14 114.58 120.00 1iao h GLU 66 Ca 0.41 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 59.54 1iao h GLU 66 Cb 0.26 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1iao h GLU 66 CO -0.16 1.26 -0.02 0.87 -1.16 0.00 0.00 179.01 179.80 1iao h LYS 67 N 0.26 0.08 0.44 2.33 1.57 -0.22 0.55 116.57 121.58 1iao h LYS 67 Ca -0.13 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1iao h LYS 67 Cb 1.77 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1iao h LYS 67 CO 0.20 0.05 -0.42 1.25 -0.57 0.00 0.00 179.45 179.96 1iao h HIS 68 N 0.08 -1.15 -0.12 -1.35 2.76 -0.98 -2.70 115.15 111.69 1iao h HIS 68 Ca 0.19 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1iao h HIS 68 Cb 0.27 0.45 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1iao h HIS 68 CO -0.28 -0.58 0.03 -0.91 -1.30 0.00 0.00 177.93 174.89 1iao h ASN 69 N -0.88 0.14 0.28 3.26 2.35 -0.28 -2.86 115.58 117.60 1iao h ASN 69 Ca -0.04 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1iao h ASN 69 Cb 0.77 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1iao h ASN 69 CO -0.05 0.15 -0.14 0.25 -1.65 0.00 0.00 177.43 175.99 1iao h LEU 70 N 0.16 -0.32 -1.44 1.61 5.85 0.39 0.16 115.31 121.72 1iao h LEU 70 Ca 0.04 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.81 1iao h LEU 70 Cb 0.06 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1iao h LEU 70 CO -0.00 -0.08 0.55 1.23 -0.34 0.00 0.00 178.44 179.80 1iao h GLY 71 N -0.57 0.95 0.64 3.75 0.00 -1.30 0.38 103.07 106.93 1iao h GLY 71 Ca -0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1iao h GLY 71 CO 0.06 0.05 -0.45 -2.22 0.00 0.00 0.00 176.54 173.99 1iao h ILE 72 N 0.53 1.48 -0.27 2.60 1.08 -1.28 -3.19 117.51 118.45 1iao h ILE 72 Ca 0.43 -2.02 -0.06 0.00 -0.39 0.00 0.00 64.86 62.82 1iao h ILE 72 Cb 0.87 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1iao h ILE 72 CO -0.17 0.57 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.74 1iao h LEU 73 N -0.27 0.51 -0.90 1.44 -0.00 0.09 -1.10 115.31 115.08 1iao h LEU 73 Ca -0.05 -0.36 0.17 0.00 -0.00 0.00 0.00 57.88 57.64 1iao h LEU 73 Cb 1.18 -0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.59 1iao h LEU 73 CO 0.09 0.75 0.48 0.74 -0.00 0.00 0.00 178.44 180.50 1iao h THR 74 N 0.27 0.69 0.29 0.22 2.02 -0.39 0.25 112.91 116.25 1iao h THR 74 Ca 0.07 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1iao h THR 74 Cb 0.52 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1iao h THR 74 CO 0.02 0.12 -0.14 0.11 0.37 0.00 0.00 175.52 176.00 1iao h LYS 75 N 0.64 -0.37 -1.05 6.66 1.57 -1.51 0.27 116.57 122.77 1iao h LYS 75 Ca 0.51 0.03 0.28 0.00 -1.87 0.00 0.00 60.65 59.59 1iao h LYS 75 Cb 0.79 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.09 1iao h LYS 75 CO -0.39 -0.03 0.69 -0.09 -0.57 0.00 0.00 179.45 179.05 1iao h ARG 76 N -0.80 0.34 -0.00 3.15 2.43 0.18 1.19 114.38 120.87 1iao h ARG 76 Ca -0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1iao h ARG 76 Cb 0.51 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1iao h ARG 76 CO 0.06 0.22 0.00 -1.13 -1.51 0.00 0.00 179.97 177.62 1iao n SER 77 N -4.58 0.22 -3.01 -3.80 3.41 0.74 -4.86 113.62 101.74 1iao n SER 77 Ca 0.25 -1.10 -0.21 0.00 -0.26 0.00 0.00 58.87 57.55 1iao n SER 77 Cb 0.92 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1iao n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1iao n ASN 78 N -0.81 -5.89 -2.56 4.04 3.02 0.41 -3.21 115.26 110.25 1iao n ASN 78 Ca 0.23 -0.36 -0.18 0.00 -0.03 0.00 0.00 54.58 54.23 1iao n ASN 78 Cb 0.14 -4.63 0.03 0.00 -0.61 0.00 0.00 39.78 34.71 1iao n ASN 78 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1iao n PHE 79 N -4.58 -1.71 -2.39 3.10 3.01 0.93 -5.00 117.46 110.82 1iao n PHE 79 Ca -0.06 0.49 -0.42 0.00 1.01 0.00 0.00 57.45 58.47 1iao n PHE 79 Cb 0.59 -3.91 -0.03 0.00 -0.01 0.00 0.00 39.48 36.12 1iao n PHE 79 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1iao s THR 80 N -3.09 3.78 0.70 4.37 2.01 -1.20 -5.02 115.64 117.19 1iao s THR 80 Ca 0.28 1.38 0.02 0.00 0.31 0.00 0.00 61.69 63.69 1iao s THR 80 Cb -0.12 -3.89 0.13 0.00 0.01 0.00 0.00 72.50 68.63 1iao s THR 80 CO 0.35 0.17 0.96 -2.16 -0.69 0.00 0.00 174.62 173.25 1iao s PRO 81 N 0.39 1.75 0.08 4.92 0.04 -1.26 -5.01 135.00 135.91 1iao s PRO 81 Ca 0.56 -1.32 -0.30 0.00 0.04 0.00 0.00 61.00 59.98 1iao s PRO 81 Cb -0.31 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1iao s PRO 81 CO 0.33 -1.37 1.06 0.00 0.04 0.00 0.00 177.00 177.06 1iao s ALA 82 N -3.05 3.29 -0.00 8.56 0.00 -1.26 -5.02 121.76 124.28 1iao s ALA 82 Ca 0.66 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 1iao s ALA 82 Cb -0.05 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1iao s ALA 82 CO 0.43 -0.23 0.67 0.99 0.00 0.00 0.00 175.76 177.62 1iao s THR 83 N 0.50 4.88 0.29 0.00 2.01 -1.26 -5.04 115.64 117.02 1iao s THR 83 Ca 0.52 1.40 -0.28 0.00 0.31 0.00 0.00 61.69 63.64 1iao s THR 83 Cb -0.26 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 1iao s THR 83 CO 0.30 0.37 1.02 0.20 -0.69 0.00 0.00 174.62 175.82 1iao s ASN 84 N 0.05 7.33 0.10 3.53 0.01 -1.26 -4.88 114.94 119.82 1iao s ASN 84 Ca 0.35 2.08 0.09 0.00 -0.71 0.00 0.00 52.86 54.67 1iao s ASN 84 Cb -0.19 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 1iao s ASN 84 CO 0.19 -0.08 -0.22 -1.61 -1.51 0.00 0.00 177.10 173.87 1iao s GLU 85 N -1.58 1.70 -0.30 -0.60 0.41 -1.16 -4.91 118.70 112.26 1iao s GLU 85 Ca 0.46 -1.20 -0.13 0.00 -0.41 0.00 0.00 54.97 53.69 1iao s GLU 85 Cb -0.27 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.01 1iao s GLU 85 CO 0.34 0.48 0.26 0.00 -0.49 0.00 0.00 175.26 175.86 1iao s ALA 86 N -1.05 3.52 0.60 5.21 0.00 -1.22 -4.23 121.76 124.58 1iao s ALA 86 Ca 0.16 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1iao s ALA 86 Cb -0.10 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1iao s ALA 86 CO 0.07 -0.76 1.08 -1.25 0.00 0.00 0.00 175.76 174.91 1iao s PRO 87 N 1.85 3.19 -0.12 0.00 0.04 -1.25 -4.86 135.00 133.85 1iao s PRO 87 Ca 0.09 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1iao s PRO 87 Cb -0.16 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1iao s PRO 87 CO 0.11 -0.93 -0.15 -0.65 0.04 0.00 0.00 177.00 175.41 1iao s GLN 88 N -3.92 2.28 0.31 4.56 -1.52 -0.73 -4.93 119.66 115.72 1iao s GLN 88 Ca 0.66 -0.58 0.07 0.00 -1.95 0.00 0.00 55.36 53.57 1iao s GLN 88 Cb -0.19 -1.96 -0.03 0.00 -0.22 0.00 0.00 33.01 30.62 1iao s GLN 88 CO 0.36 -0.09 0.26 0.00 -0.25 0.00 0.00 175.29 175.57 1iao s ALA 89 N 1.06 3.75 -0.12 6.09 0.00 -1.25 -1.29 121.76 130.01 1iao s ALA 89 Ca -0.05 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1iao s ALA 89 Cb -0.15 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.84 1iao s ALA 89 CO -0.03 0.08 0.26 0.99 0.00 0.00 0.00 175.76 177.06 1iao s THR 90 N -2.26 -0.12 -0.14 0.00 2.01 0.42 -4.89 115.64 110.66 1iao s THR 90 Ca 0.39 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 1iao s THR 90 Cb -0.06 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1iao s THR 90 CO 0.26 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.54 1iao s VAL 91 N 1.51 3.96 -0.13 3.82 1.01 -1.25 0.22 120.40 129.54 1iao s VAL 91 Ca -0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1iao s VAL 91 Cb -0.11 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1iao s VAL 91 CO -0.09 0.51 0.76 0.72 0.00 0.00 0.00 175.10 177.00 1iao s PHE 92 N 0.17 -0.63 0.46 5.22 -0.71 0.25 -4.94 117.98 117.79 1iao s PHE 92 Ca -0.01 1.21 -0.23 0.00 -1.04 0.00 0.00 56.93 56.86 1iao s PHE 92 Cb -0.14 0.39 -0.07 0.00 -1.21 0.00 0.00 43.02 41.99 1iao s PHE 92 CO 0.03 -0.50 1.20 -1.25 -1.34 0.00 0.00 175.22 173.35 1iao s PRO 93 N -0.78 3.71 0.14 1.99 0.04 -1.26 -0.36 135.00 138.48 1iao s PRO 93 Ca -0.06 1.85 0.26 0.00 0.04 0.00 0.00 61.00 63.09 1iao s PRO 93 Cb -0.01 -2.42 0.70 0.00 0.04 0.00 0.00 34.50 32.80 1iao s PRO 93 CO 0.06 -0.62 1.63 1.17 0.04 0.00 0.00 177.00 179.28 1iao n LYS 94 N -0.49 0.22 -4.07 4.56 4.81 -0.87 -4.88 118.16 117.44 1iao n LYS 94 Ca 0.07 0.13 -0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1iao n LYS 94 Cb 0.47 -1.71 -0.07 0.00 0.02 0.00 0.00 35.03 33.75 1iao n LYS 94 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1iao s SER 95 N -4.13 0.08 0.09 3.14 0.01 -1.26 -5.05 113.70 106.58 1iao s SER 95 Ca 0.10 -1.12 -0.31 0.00 1.31 0.00 0.00 55.95 55.93 1iao s SER 95 Cb 0.14 0.53 -0.10 0.00 0.21 0.00 0.00 66.02 66.80 1iao s SER 95 CO 0.63 -1.06 1.84 -2.84 0.41 0.00 0.00 173.24 172.22 1iao s PRO 96 N -3.97 4.15 -0.26 12.44 0.02 -1.26 -4.91 135.00 141.21 1iao s PRO 96 Ca 0.28 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.57 1iao s PRO 96 Cb 0.02 -3.73 -0.02 0.00 0.02 0.00 0.00 34.50 30.79 1iao s PRO 96 CO 0.11 -0.86 1.56 0.08 -0.33 0.00 0.00 177.00 177.56 1iao s VAL 97 N 3.15 3.77 -0.04 3.83 1.01 -1.26 -4.99 120.40 125.87 1iao s VAL 97 Ca 0.82 0.86 0.07 0.00 0.00 0.00 0.00 61.98 63.72 1iao s VAL 97 Cb -0.44 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1iao s VAL 97 CO 0.37 -0.37 -0.24 -0.76 0.00 0.00 0.00 175.10 174.09 1iao s LEU 98 N 5.22 2.13 0.01 3.92 1.02 -1.26 -5.06 118.68 124.65 1iao s LEU 98 Ca 0.69 -0.46 -0.32 0.00 0.02 0.00 0.00 54.13 54.06 1iao s LEU 98 Cb -0.22 -1.38 -0.10 0.00 0.02 0.00 0.00 46.19 44.51 1iao s LEU 98 CO 0.29 0.28 1.92 0.18 0.02 0.00 0.00 176.35 179.04 1iao n LEU 99 N 2.70 3.91 0.00 1.79 4.77 -1.26 -0.52 117.00 128.39 1iao n LEU 99 Ca -0.17 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1iao n LEU 99 Cb 0.52 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1iao n LEU 99 CO 0.24 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1iao n GLY 100 N 4.45 2.77 3.63 -0.72 0.00 -1.26 -5.00 105.19 109.06 1iao n GLY 100 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1iao n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iao s GLN 101 N -0.13 4.03 0.22 1.61 0.74 0.33 -4.82 119.66 121.64 1iao s GLN 101 Ca 0.00 0.89 -0.32 0.00 0.05 0.00 0.00 55.36 55.98 1iao s GLN 101 Cb 0.00 -3.73 -0.14 0.00 1.10 0.00 0.00 33.01 30.24 1iao s GLN 101 CO 0.00 -0.80 1.33 -2.30 -0.55 0.00 0.00 175.29 172.98 1iao n PRO 102 N 6.57 1.76 -4.13 1.67 -0.02 -1.26 -4.31 135.00 135.27 1iao n PRO 102 Ca 0.09 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1iao n PRO 102 Cb 0.47 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1iao n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1iao s ASN 103 N 0.21 0.47 -0.10 2.55 3.04 0.87 -4.93 114.94 117.05 1iao s ASN 103 Ca 0.70 -1.34 0.02 0.00 0.04 0.00 0.00 52.86 52.28 1iao s ASN 103 Cb -0.71 0.53 0.01 0.00 -1.54 0.00 0.00 41.25 39.54 1iao s ASN 103 CO 0.50 -1.06 -0.15 -0.89 -3.04 0.00 0.00 177.10 172.46 1iao s THR 104 N -3.75 1.43 -0.13 -5.21 2.01 -1.24 0.17 115.64 108.92 1iao s THR 104 Ca 0.33 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1iao s THR 104 Cb 0.02 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1iao s THR 104 CO 0.15 0.43 0.21 -0.22 -0.69 0.00 0.00 174.62 174.50 1iao s LEU 105 N 0.87 4.32 -0.08 4.42 2.96 1.24 -2.05 118.68 130.37 1iao s LEU 105 Ca -0.09 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1iao s LEU 105 Cb -0.15 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1iao s LEU 105 CO 0.01 0.26 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.56 1iao s ILE 106 N -0.31 3.30 -0.20 6.68 1.01 0.52 0.08 121.20 132.27 1iao s ILE 106 Ca 0.15 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 1iao s ILE 106 Cb -0.13 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1iao s ILE 106 CO 0.04 0.57 -0.14 0.00 0.00 0.00 0.00 174.94 175.41 1iao s PHE 108 N 1.33 3.31 -0.23 0.00 5.36 0.60 -2.22 117.98 126.13 1iao s PHE 108 Ca 0.04 -1.41 -0.10 0.00 -0.96 0.00 0.00 56.93 54.51 1iao s PHE 108 Cb -0.14 -3.37 -0.05 0.00 -0.34 0.00 0.00 43.02 39.13 1iao s PHE 108 CO -0.09 -0.92 0.13 0.08 -1.46 0.00 0.00 175.22 172.96 1iao s VAL 109 N 1.51 5.16 0.45 3.12 1.01 -0.46 -0.43 120.40 130.75 1iao s VAL 109 Ca 0.04 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1iao s VAL 109 Cb -0.26 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1iao s VAL 109 CO 0.03 0.36 0.03 -0.62 0.00 0.00 0.00 175.10 174.90 1iao s ASP 110 N 1.00 3.64 -1.60 3.32 -1.08 -0.41 -0.87 116.67 120.66 1iao s ASP 110 Ca 0.07 -1.55 -0.04 0.00 -0.52 0.00 0.00 52.55 50.51 1iao s ASP 110 Cb -0.13 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 1iao s ASP 110 CO 0.04 -0.73 0.49 -3.20 0.52 0.00 0.00 175.17 172.28 1iao n ASN 111 N -1.13 -6.09 -4.50 -0.34 5.15 -1.07 -1.77 115.26 105.51 1iao n ASN 111 Ca -0.11 -0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.21 1iao n ASN 111 Cb 0.67 -4.94 -0.04 0.00 -0.53 0.00 0.00 39.78 34.94 1iao n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1iao s ILE 112 N -3.15 4.27 -0.05 -1.44 1.01 0.05 -3.76 121.20 118.13 1iao s ILE 112 Ca 0.24 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 1iao s ILE 112 Cb -0.11 -4.65 0.04 0.00 0.01 0.00 0.00 42.46 37.75 1iao s ILE 112 CO 0.30 -1.34 0.10 0.12 0.00 0.00 0.00 174.94 174.12 1iao s PHE 113 N 4.24 -0.06 0.88 3.97 5.36 -1.26 -1.66 117.98 129.45 1iao s PHE 113 Ca 0.28 0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 56.49 1iao s PHE 113 Cb -0.13 -0.27 0.13 0.00 -0.34 0.00 0.00 43.02 42.41 1iao s PHE 113 CO 0.15 -0.18 1.24 -2.14 -1.46 0.00 0.00 175.22 172.83 1iao s PRO 114 N 1.71 1.35 -0.04 10.12 0.02 -1.26 -2.96 135.00 143.93 1iao s PRO 114 Ca -0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 61.00 60.88 1iao s PRO 114 Cb -0.12 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1iao s PRO 114 CO -0.04 -1.98 1.04 -2.30 -0.33 0.00 0.00 177.00 173.38 1iao n PRO 115 N -3.54 0.35 -3.82 5.54 -0.02 -1.26 -4.60 135.00 127.66 1iao n PRO 115 Ca 0.11 -0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.05 1iao n PRO 115 Cb 0.60 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.26 1iao n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iao s VAL 116 N 3.00 0.97 0.00 -1.45 1.01 -1.26 -5.06 120.40 117.60 1iao s VAL 116 Ca 0.10 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1iao s VAL 116 Cb 0.05 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1iao s VAL 116 CO -0.00 -0.22 0.41 -0.63 0.00 0.00 0.00 175.10 174.66 1iao s ILE 117 N 1.65 0.05 -0.28 2.22 1.01 -1.26 -4.75 121.20 119.83 1iao s ILE 117 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1iao s ILE 117 Cb -0.18 -0.80 0.08 0.00 0.01 0.00 0.00 42.46 41.57 1iao s ILE 117 CO -0.09 -0.22 0.03 0.21 0.00 0.00 0.00 174.94 174.87 1iao s ASN 118 N -1.55 4.07 -0.16 3.58 3.84 -1.01 -5.03 114.94 118.69 1iao s ASN 118 Ca -0.10 -1.54 -0.03 0.00 0.21 0.00 0.00 52.86 51.40 1iao s ASN 118 Cb -0.03 -1.15 -0.02 0.00 -0.55 0.00 0.00 41.25 39.50 1iao s ASN 118 CO 0.03 -0.33 -0.06 0.27 -2.79 0.00 0.00 177.10 174.22 1iao s ILE 119 N 1.38 3.64 -0.02 -5.21 -4.36 -1.24 0.36 121.20 115.75 1iao s ILE 119 Ca 0.04 -0.44 0.01 0.00 -0.26 0.00 0.00 60.65 59.99 1iao s ILE 119 Cb -0.18 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 40.96 1iao s ILE 119 CO -0.13 0.49 -0.01 0.42 0.24 0.00 0.00 174.94 175.95 1iao s THR 120 N 0.51 0.18 0.09 8.37 -4.23 0.60 -4.88 115.64 116.27 1iao s THR 120 Ca -0.05 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1iao s THR 120 Cb -0.15 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 1iao s THR 120 CO 0.03 0.12 0.44 0.26 -0.54 0.00 0.00 174.62 174.94 1iao s TRP 121 N 0.77 3.60 -0.29 3.99 0.52 -1.25 0.53 118.94 126.80 1iao s TRP 121 Ca -0.08 0.88 -0.17 0.00 0.02 0.00 0.00 56.10 56.75 1iao s TRP 121 Cb -0.11 -2.23 0.14 0.00 -1.15 0.00 0.00 33.47 30.13 1iao s TRP 121 CO -0.01 0.50 0.98 -0.48 0.02 0.00 0.00 176.95 177.95 1iao s LEU 122 N -1.88 -0.50 0.03 2.99 0.05 0.14 -3.76 118.68 115.75 1iao s LEU 122 Ca 0.34 0.81 -0.15 0.00 0.05 0.00 0.00 54.13 55.18 1iao s LEU 122 Cb -0.14 1.75 -0.35 0.00 -2.05 0.00 0.00 46.19 45.40 1iao s LEU 122 CO 0.18 -0.13 1.01 -0.09 -0.55 0.00 0.00 176.35 176.78 1iao h ARG 123 N 5.96 0.54 0.00 1.48 1.12 -1.81 -2.17 114.38 119.50 1iao h ARG 123 Ca -0.28 -0.91 0.00 0.00 -1.11 0.00 0.00 59.98 57.68 1iao h ARG 123 Cb 1.19 0.34 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 1iao h ARG 123 CO 0.19 1.43 0.00 0.09 -3.11 0.00 0.00 179.97 178.58 1iao n ASN 124 N -3.71 0.00 0.00 -3.80 3.02 -1.26 -4.66 115.26 104.84 1iao n ASN 124 Ca -0.16 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1iao n ASN 124 Cb 1.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 1iao n ASN 124 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1iao n SER 125 N -0.48 0.00 -3.63 6.41 3.41 -1.26 -5.10 113.62 112.96 1iao n SER 125 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1iao n SER 125 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1iao n SER 125 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1iao s LYS 126 N 0.00 0.55 0.94 4.33 0.00 -1.26 -5.13 119.74 119.17 1iao s LYS 126 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 55.97 56.41 1iao s LYS 126 Cb 0.00 0.27 0.16 0.00 0.00 0.00 0.00 37.83 38.25 1iao s LYS 126 CO 0.00 -0.09 1.09 0.45 0.00 0.00 0.00 175.35 176.80 1iao s SER 127 N 0.02 2.97 -0.16 0.03 0.15 -1.26 -4.61 113.70 110.84 1iao s SER 127 Ca 0.02 1.67 -0.07 0.00 0.70 0.00 0.00 55.95 58.27 1iao s SER 127 Cb -0.04 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1iao s SER 127 CO -0.04 -2.98 0.35 0.68 1.20 0.00 0.00 173.24 172.45 1iao s VAL 128 N -2.78 -0.31 -0.27 4.45 -7.23 -1.25 -5.02 120.40 107.99 1iao s VAL 128 Ca 0.65 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1iao s VAL 128 Cb -0.20 -0.55 0.08 0.00 0.56 0.00 0.00 36.38 36.27 1iao s VAL 128 CO 0.58 0.07 0.03 0.28 -0.31 0.00 0.00 175.10 175.76 1iao s THR 129 N 2.00 1.20 -0.29 5.32 -1.32 -1.26 -4.85 115.64 116.44 1iao s THR 129 Ca -0.05 -1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 58.95 1iao s THR 129 Cb -0.11 -1.73 0.16 0.00 -1.51 0.00 0.00 72.50 69.31 1iao s THR 129 CO -0.11 -0.41 1.02 -0.62 -2.21 0.00 0.00 174.62 172.29 1iao s ASP 130 N 1.49 -0.47 0.00 8.08 -1.08 -1.26 -4.83 116.67 118.61 1iao s ASP 130 Ca 0.03 0.71 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1iao s ASP 130 Cb -0.18 1.33 0.00 0.00 -1.46 0.00 0.00 42.92 42.61 1iao s ASP 130 CO -0.14 -0.11 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1iao n GLY 131 N 4.08 0.82 3.66 2.66 0.00 -1.26 -4.35 105.19 110.80 1iao n GLY 131 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1iao n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iao s VAL 132 N -3.25 4.25 0.12 1.61 1.01 -1.26 -3.93 120.40 118.95 1iao s VAL 132 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1iao s VAL 132 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1iao s VAL 132 CO 0.00 -0.14 -0.09 -0.47 0.00 0.00 0.00 175.10 174.40 1iao s TYR 133 N 3.56 1.11 0.02 5.22 6.14 -1.20 -4.96 117.35 127.23 1iao s TYR 133 Ca 0.56 -0.81 -0.05 0.00 0.64 0.00 0.00 57.07 57.40 1iao s TYR 133 Cb -0.22 -0.59 -0.01 0.00 0.42 0.00 0.00 41.96 41.56 1iao s TYR 133 CO 0.15 -0.01 0.09 -2.00 0.64 0.00 0.00 175.55 174.43 1iao s GLU 134 N -3.71 0.52 0.47 4.97 2.12 -1.26 -1.84 118.70 119.97 1iao s GLU 134 Ca 0.14 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1iao s GLU 134 Cb 0.03 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1iao s GLU 134 CO -0.02 -0.12 0.51 0.95 -0.54 0.00 0.00 175.26 176.04 1iao s THR 135 N -2.07 2.48 0.97 -1.70 -4.23 -0.92 -5.02 115.64 105.15 1iao s THR 135 Ca -0.09 -1.21 -0.15 0.00 -1.18 0.00 0.00 61.69 59.05 1iao s THR 135 Cb -0.04 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.28 1iao s THR 135 CO -0.02 0.00 1.21 -0.44 -0.54 0.00 0.00 174.62 174.83 1iao s SER 136 N -4.32 3.02 -0.50 3.99 0.01 -1.26 -4.73 113.70 109.91 1iao s SER 136 Ca 0.50 0.61 -0.28 0.00 1.31 0.00 0.00 55.95 58.10 1iao s SER 136 Cb -0.05 -0.91 -0.01 0.00 0.21 0.00 0.00 66.02 65.26 1iao s SER 136 CO 0.30 -2.82 1.68 -0.36 0.41 0.00 0.00 173.24 172.45 1iao s PHE 137 N -3.50 1.94 0.23 2.43 0.08 -1.26 -4.68 117.98 113.21 1iao s PHE 137 Ca 0.69 0.64 -0.30 0.00 0.12 0.00 0.00 56.93 58.08 1iao s PHE 137 Cb -0.09 -4.20 -0.09 0.00 -0.57 0.00 0.00 43.02 38.07 1iao s PHE 137 CO 0.53 -2.37 1.07 -0.51 -0.10 0.00 0.00 175.22 173.84 1iao s LEU 138 N 7.32 4.55 0.18 -0.37 1.43 0.20 -4.83 118.68 127.14 1iao s LEU 138 Ca 0.66 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 55.63 1iao s LEU 138 Cb -0.15 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 1iao s LEU 138 CO 0.27 -0.12 0.88 0.54 0.23 0.00 0.00 176.35 178.15 1iao s VAL 139 N -0.83 4.30 0.01 -1.59 0.11 -1.26 -1.10 120.40 120.04 1iao s VAL 139 Ca 0.46 1.93 0.05 0.00 -2.93 0.00 0.00 61.98 61.49 1iao s VAL 139 Cb -0.30 -4.25 -0.03 0.00 -1.53 0.00 0.00 36.38 30.26 1iao s VAL 139 CO 0.37 0.46 -0.12 0.20 -3.33 0.00 0.00 175.10 172.68 1iao s ASN 140 N -0.84 4.22 0.29 3.54 0.01 0.06 -4.91 114.94 117.31 1iao s ASN 140 Ca 0.40 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1iao s ASN 140 Cb -0.24 -0.86 0.72 0.00 0.41 0.00 0.00 41.25 41.28 1iao s ASN 140 CO 0.29 0.28 1.68 0.03 -1.51 0.00 0.00 177.10 177.87 1iao h ARG 141 N 4.63 0.34 0.00 -0.60 3.08 -1.98 0.87 114.38 120.72 1iao h ARG 141 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1iao h ARG 141 Cb 1.16 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1iao h ARG 141 CO 0.51 0.22 0.00 -0.40 -1.07 0.00 0.00 179.97 179.23 1iao n ASP 142 N -5.09 0.00 -1.30 7.04 5.68 -1.26 -4.81 116.55 116.81 1iao n ASP 142 Ca 0.22 -1.51 -0.13 0.00 -0.50 0.00 0.00 54.79 52.87 1iao n ASP 142 Cb 0.66 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.62 1iao n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1iao n HIS 143 N -0.54 -0.42 -3.50 2.11 8.25 0.30 -5.01 115.22 116.42 1iao n HIS 143 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 1iao n HIS 143 Cb 0.01 -2.65 0.01 0.00 1.12 0.00 0.00 29.99 28.48 1iao n HIS 143 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1iao s SER 144 N -2.56 4.93 0.36 0.41 1.04 -1.23 -4.90 113.70 111.73 1iao s SER 144 Ca 0.00 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.50 1iao s SER 144 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1iao s SER 144 CO 0.00 -1.06 0.10 -0.36 0.98 0.00 0.00 173.24 172.89 1iao s PHE 145 N -2.65 1.83 -0.11 5.02 0.40 -0.66 -0.76 117.98 121.04 1iao s PHE 145 Ca 0.47 -1.14 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 1iao s PHE 145 Cb -0.04 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.34 1iao s PHE 145 CO 0.29 -0.17 0.34 -3.38 0.70 0.00 0.00 175.22 173.00 1iao s HIS 146 N -3.32 -0.35 0.04 0.36 -3.43 -0.26 -0.77 115.29 107.56 1iao s HIS 146 Ca 0.31 0.83 0.04 0.00 -0.80 0.00 0.00 55.06 55.44 1iao s HIS 146 Cb 0.06 0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.31 1iao s HIS 146 CO 0.15 -0.22 -0.13 0.21 -2.00 0.00 0.00 174.74 172.75 1iao s LYS 147 N -0.05 0.84 0.07 -0.38 2.20 -0.05 -0.63 119.74 121.73 1iao s LYS 147 Ca -0.02 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 54.93 1iao s LYS 147 Cb -0.03 -0.82 -0.03 0.00 -1.51 0.00 0.00 37.83 35.45 1iao s LYS 147 CO 0.01 0.20 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.44 1iao s LEU 148 N -1.21 2.21 0.20 5.43 1.02 -1.26 -1.36 118.68 123.71 1iao s LEU 148 Ca -0.00 -0.61 0.06 0.00 0.02 0.00 0.00 54.13 53.59 1iao s LEU 148 Cb -0.08 -1.16 -0.05 0.00 0.02 0.00 0.00 46.19 44.92 1iao s LEU 148 CO 0.01 0.20 -0.09 -0.55 0.02 0.00 0.00 176.35 175.94 1iao s SER 149 N -1.44 2.15 0.18 2.29 0.15 -0.94 -2.16 113.70 113.93 1iao s SER 149 Ca 0.11 -1.07 0.04 0.00 0.70 0.00 0.00 55.95 55.72 1iao s SER 149 Cb -0.10 -0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.10 1iao s SER 149 CO 0.03 -0.32 -0.06 -0.31 1.20 0.00 0.00 173.24 173.79 1iao s TYR 150 N -3.20 1.39 -0.12 3.44 1.51 -0.77 -1.73 117.35 117.88 1iao s TYR 150 Ca 0.22 -0.83 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 1iao s TYR 150 Cb 0.02 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1iao s TYR 150 CO 0.05 0.03 0.30 -1.17 -1.11 0.00 0.00 175.55 173.65 1iao s LEU 151 N -3.23 0.59 -0.33 -1.29 1.98 0.11 -3.27 118.68 113.24 1iao s LEU 151 Ca 0.22 0.62 -0.11 0.00 -2.89 0.00 0.00 54.13 51.96 1iao s LEU 151 Cb 0.04 0.98 -0.01 0.00 0.66 0.00 0.00 46.19 47.85 1iao s LEU 151 CO 0.04 -0.14 0.20 0.42 -1.89 0.00 0.00 176.35 174.98 1iao s THR 152 N 0.68 4.93 0.19 3.68 -4.23 -1.26 0.38 115.64 120.02 1iao s THR 152 Ca -0.04 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1iao s THR 152 Cb -0.06 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1iao s THR 152 CO -0.04 0.02 0.39 0.72 -0.54 0.00 0.00 174.62 175.17 1iao s PHE 153 N 1.67 0.24 -0.27 3.99 -0.71 0.46 -4.88 117.98 118.49 1iao s PHE 153 Ca 0.05 -0.60 0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1iao s PHE 153 Cb -0.17 0.11 0.07 0.00 -1.21 0.00 0.00 43.02 41.82 1iao s PHE 153 CO 0.08 -0.82 -0.03 0.96 -1.34 0.00 0.00 175.22 174.07 1iao s ILE 154 N -3.95 1.71 0.30 -4.49 -4.36 -1.26 0.30 121.20 109.45 1iao s ILE 154 Ca 0.16 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1iao s ILE 154 Cb 0.01 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1iao s ILE 154 CO 0.01 -0.24 0.69 -0.81 0.24 0.00 0.00 174.94 174.82 1iao n PRO 155 N 4.57 0.01 0.36 0.37 -0.04 -1.26 -4.60 135.00 134.42 1iao n PRO 155 Ca -0.08 0.44 -0.15 0.00 -0.04 0.00 0.00 63.50 63.66 1iao n PRO 155 Cb 0.43 -2.08 -0.07 0.00 -0.04 0.00 0.00 33.50 31.73 1iao n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iao h SER 156 N 0.00 -0.80 -4.30 3.54 4.64 -1.95 -3.44 113.55 111.23 1iao h SER 156 Ca 0.00 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.82 1iao h SER 156 Cb 1.37 0.21 0.12 0.00 -0.31 0.00 0.00 62.40 63.79 1iao h SER 156 CO 0.00 -0.44 0.33 1.51 -0.87 0.00 0.00 176.83 177.37 1iao s ASP 157 N -4.46 4.72 0.00 4.97 1.47 -1.26 -4.15 116.67 117.95 1iao s ASP 157 Ca -0.15 1.70 0.00 0.00 1.18 0.00 0.00 52.55 55.28 1iao s ASP 157 Cb 0.02 -2.46 0.00 0.00 -0.34 0.00 0.00 42.92 40.14 1iao s ASP 157 CO 0.45 -1.88 0.00 -0.90 0.68 0.00 0.00 175.17 173.52 1iao n ASP 158 N -3.41 0.00 0.00 2.11 5.68 -1.26 -4.42 116.55 115.24 1iao n ASP 158 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1iao n ASP 158 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1iao n ASP 158 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1iao n ASP 159 N 0.00 0.00 -4.83 -1.12 8.00 -1.26 -4.67 116.55 112.67 1iao n ASP 159 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1iao n ASP 159 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1iao n ASP 159 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1iao s ILE 160 N 0.00 5.40 0.32 0.53 -5.25 -1.26 -4.97 121.20 115.97 1iao s ILE 160 Ca 0.00 0.34 0.06 0.00 -0.99 0.00 0.00 60.65 60.06 1iao s ILE 160 Cb 0.00 -3.48 -0.06 0.00 2.95 0.00 0.00 42.46 41.86 1iao s ILE 160 CO 0.00 0.56 -0.00 -0.31 -1.79 0.00 0.00 174.94 173.40 1iao s TYR 161 N -0.67 2.09 -0.26 1.37 2.02 0.38 -3.54 117.35 118.74 1iao s TYR 161 Ca 0.15 -0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 55.82 1iao s TYR 161 Cb -0.13 -1.32 0.08 0.00 -0.40 0.00 0.00 41.96 40.19 1iao s TYR 161 CO 0.05 0.22 0.77 0.34 -1.57 0.00 0.00 175.55 175.36 1iao s ASP 162 N -3.52 -0.69 -0.28 2.29 2.15 -0.82 -2.60 116.67 113.21 1iao s ASP 162 Ca 0.33 1.29 -0.05 0.00 0.43 0.00 0.00 52.55 54.56 1iao s ASP 162 Cb 0.07 1.29 0.02 0.00 -0.30 0.00 0.00 42.92 44.00 1iao s ASP 162 CO 0.15 -0.26 0.03 0.00 -0.17 0.00 0.00 175.17 174.92 1iao s LYS 164 N 1.41 4.07 -0.42 0.00 2.20 2.06 -1.88 119.74 127.18 1iao s LYS 164 Ca 0.01 0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1iao s LYS 164 Cb -0.17 -3.63 0.11 0.00 -1.51 0.00 0.00 37.83 32.62 1iao s LYS 164 CO -0.00 -0.24 0.24 0.08 -0.36 0.00 0.00 175.35 175.07 1iao s VAL 165 N 1.97 3.65 -0.25 4.02 1.01 -0.42 0.22 120.40 130.61 1iao s VAL 165 Ca 0.18 -1.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.16 1iao s VAL 165 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1iao s VAL 165 CO 0.09 -0.67 0.25 -1.61 0.00 0.00 0.00 175.10 173.17 1iao s GLU 166 N 1.24 4.06 -0.28 2.72 2.02 0.16 -0.78 118.70 127.84 1iao s GLU 166 Ca 0.06 -0.13 -0.20 0.00 0.02 0.00 0.00 54.97 54.73 1iao s GLU 166 Cb -0.24 -3.58 0.08 0.00 0.10 0.00 0.00 34.13 30.49 1iao s GLU 166 CO -0.02 -0.07 0.74 -1.58 0.02 0.00 0.00 175.26 174.34 1iao s HIS 167 N 1.44 -0.90 -2.00 1.61 2.46 -1.26 -2.39 115.29 114.24 1iao s HIS 167 Ca 0.11 1.95 0.27 0.00 0.47 0.00 0.00 55.06 57.86 1iao s HIS 167 Cb -0.15 0.47 1.60 0.00 -0.13 0.00 0.00 32.58 34.37 1iao s HIS 167 CO 0.07 -0.44 1.97 -2.67 -2.47 0.00 0.00 174.74 171.20 1iao n TRP 168 N 3.56 0.00 -0.97 3.88 2.14 -1.26 -1.10 117.44 123.69 1iao n TRP 168 Ca -0.17 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.18 1iao n TRP 168 Cb 0.57 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 31.13 1iao n TRP 168 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1iao n GLY 169 N 0.74 4.53 3.53 -1.67 0.00 -1.26 -4.84 105.19 106.23 1iao n GLY 169 Ca 0.20 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1iao n GLY 169 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iao s LEU 170 N -2.37 -0.47 0.00 0.99 2.96 -0.25 -3.45 118.68 116.09 1iao s LEU 170 Ca 0.40 0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1iao s LEU 170 Cb 0.32 2.16 -0.01 0.00 0.50 0.00 0.00 46.19 49.16 1iao s LEU 170 CO -0.00 -0.53 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.84 1iao n GLU 171 N 0.51 0.06 -2.44 1.98 1.02 -1.26 -4.63 120.64 115.88 1iao n GLU 171 Ca -0.13 0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.64 1iao n GLU 171 Cb 0.59 -0.39 -0.04 0.00 -0.02 0.00 0.00 31.44 31.59 1iao n GLU 171 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1iao s GLU 172 N -1.47 4.49 1.18 3.49 2.02 -1.26 -4.88 118.70 122.27 1iao s GLU 172 Ca -0.03 1.80 -0.17 0.00 0.02 0.00 0.00 54.97 56.58 1iao s GLU 172 Cb 0.00 -3.03 0.24 0.00 0.10 0.00 0.00 34.13 31.45 1iao s GLU 172 CO 0.05 0.07 0.51 -2.30 0.02 0.00 0.00 175.26 173.61 1iao n PRO 173 N 0.85 -3.07 -3.65 0.39 -0.02 -1.26 -4.79 135.00 123.46 1iao n PRO 173 Ca 0.00 -0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 60.19 1iao n PRO 173 Cb 0.45 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 1iao n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iao s VAL 174 N -2.12 4.17 -0.46 -1.45 1.01 0.04 -4.75 120.40 116.83 1iao s VAL 174 Ca 0.50 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1iao s VAL 174 Cb -0.10 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1iao s VAL 174 CO 0.46 -0.34 0.84 -0.76 0.00 0.00 0.00 175.10 175.31 1iao s LEU 175 N 1.45 4.17 -0.36 3.92 1.43 -1.25 -1.30 118.68 126.74 1iao s LEU 175 Ca 0.01 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1iao s LEU 175 Cb -0.21 -3.02 0.09 0.00 0.03 0.00 0.00 46.19 43.08 1iao s LEU 175 CO 0.03 -0.99 0.10 -0.75 0.23 0.00 0.00 176.35 174.97 1iao s LYS 176 N 3.49 1.95 0.16 1.70 2.47 -0.79 -4.93 119.74 123.80 1iao s LYS 176 Ca 0.32 -1.70 -0.30 0.00 -1.56 0.00 0.00 55.97 52.74 1iao s LYS 176 Cb -0.12 -3.35 -0.07 0.00 -1.46 0.00 0.00 37.83 32.84 1iao s LYS 176 CO 0.24 -0.91 0.98 -1.01 0.16 0.00 0.00 175.35 174.81 1iao s HIS 177 N 1.09 3.82 0.00 4.03 3.76 -1.26 -2.26 115.29 124.47 1iao s HIS 177 Ca 0.05 1.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 1iao s HIS 177 Cb -0.21 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1iao s HIS 177 CO -0.05 0.14 0.00 1.87 -0.85 0.00 0.00 174.74 175.85