#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir8 s VAL 3 N 0.00 1.75 0.36 0.44 -7.23 -1.26 -5.08 120.40 109.39 3ir8 s VAL 3 Ca 0.00 -2.13 -0.27 0.00 -1.81 0.00 0.00 61.98 57.77 3ir8 s VAL 3 Cb 0.00 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 3ir8 s VAL 3 CO 0.00 -0.25 1.26 -0.63 -0.31 0.00 0.00 175.10 175.17 3ir8 s ILE 4 N -2.94 2.83 0.80 -0.62 -1.09 -1.26 -5.02 121.20 113.91 3ir8 s ILE 4 Ca 0.31 0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 59.39 3ir8 s ILE 4 Cb 0.04 -3.47 0.07 0.00 -1.58 0.00 0.00 42.46 37.52 3ir8 s ILE 4 CO 0.13 0.14 1.10 0.00 -1.23 0.00 0.00 174.94 175.09 3ir8 s ALA 5 N -1.23 2.23 0.22 9.38 0.00 -1.26 -4.95 121.76 126.16 3ir8 s ALA 5 Ca 0.52 -0.24 0.28 0.00 0.00 0.00 0.00 51.96 52.52 3ir8 s ALA 5 Cb -0.37 -3.10 1.21 0.00 0.00 0.00 0.00 23.12 20.87 3ir8 s ALA 5 CO 0.48 -1.76 1.95 0.87 0.00 0.00 0.00 175.76 177.30 3ir8 h LYS 6 N -1.11 0.00 -4.85 0.00 1.57 -1.96 -3.42 116.57 106.80 3ir8 h LYS 6 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 3ir8 h LYS 6 Cb 1.27 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.26 3ir8 h LYS 6 CO 0.60 0.14 -0.82 -0.65 -0.57 0.00 0.00 179.45 178.15 3ir8 s GLN 7 N -3.81 1.70 0.05 3.15 -0.21 -1.26 -3.92 119.66 115.36 3ir8 s GLN 7 Ca -0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.89 3ir8 s GLN 7 Cb 0.11 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 3ir8 s GLN 7 CO 0.59 0.12 -0.04 -1.64 -2.12 0.00 0.00 175.29 172.20 3ir8 s MET 8 N 0.37 0.59 0.42 2.91 -1.94 -0.86 -5.01 119.30 115.78 3ir8 s MET 8 Ca -0.10 -1.07 0.07 0.00 -1.71 0.00 0.00 55.69 52.88 3ir8 s MET 8 Cb -0.13 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.72 3ir8 s MET 8 CO 0.03 -0.06 0.23 0.95 -0.01 0.00 0.00 175.02 176.16 3ir8 s THR 9 N -3.12 2.35 0.12 2.05 -4.23 -0.67 -1.68 115.64 110.47 3ir8 s THR 9 Ca 0.02 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3ir8 s THR 9 Cb 0.02 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.92 3ir8 s THR 9 CO -0.06 0.00 0.30 -0.72 -0.54 0.00 0.00 174.62 173.60 3ir8 s TYR 10 N -2.58 0.05 -0.00 3.99 1.13 0.09 -1.23 117.35 118.80 3ir8 s TYR 10 Ca 0.42 -0.43 0.07 0.00 -1.41 0.00 0.00 57.07 55.72 3ir8 s TYR 10 Cb 0.02 0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 3ir8 s TYR 10 CO 0.24 -0.65 -0.23 0.15 -2.51 0.00 0.00 175.55 172.55 3ir8 s LYS 11 N -3.86 1.77 -0.04 -3.49 3.01 -0.13 -0.30 119.74 116.70 3ir8 s LYS 11 Ca 0.06 -0.86 0.05 0.00 -1.01 0.00 0.00 55.97 54.21 3ir8 s LYS 11 Cb 0.03 -1.76 -0.01 0.00 -1.01 0.00 0.00 37.83 35.08 3ir8 s LYS 11 CO -0.09 0.48 -0.19 0.54 0.51 0.00 0.00 175.35 176.60 3ir8 s VAL 12 N -0.60 1.53 -0.19 3.17 0.11 -0.20 -1.15 120.40 123.06 3ir8 s VAL 12 Ca 0.09 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 3ir8 s VAL 12 Cb -0.09 -1.30 0.03 0.00 -1.53 0.00 0.00 36.38 33.50 3ir8 s VAL 12 CO -0.00 0.44 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.75 3ir8 s TYR 13 N -0.14 2.66 -0.03 1.54 1.51 0.10 -0.55 117.35 122.43 3ir8 s TYR 13 Ca -0.00 -1.68 0.06 0.00 -1.01 0.00 0.00 57.07 54.44 3ir8 s TYR 13 Cb -0.10 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3ir8 s TYR 13 CO 0.01 -0.78 -0.22 1.41 -1.11 0.00 0.00 175.55 174.86 3ir8 s MET 14 N 1.32 2.26 0.14 -0.62 1.75 -0.01 -1.05 119.30 123.09 3ir8 s MET 14 Ca 0.01 -0.85 0.09 0.00 -1.25 0.00 0.00 55.69 53.69 3ir8 s MET 14 Cb -0.15 -2.16 -0.04 0.00 2.84 0.00 0.00 34.83 35.32 3ir8 s MET 14 CO -0.10 0.57 -0.21 -1.12 -0.65 0.00 0.00 175.02 173.52 3ir8 s SER 15 N -0.63 2.75 0.09 1.11 0.01 -0.66 -1.06 113.70 115.32 3ir8 s SER 15 Ca 0.10 -0.78 -0.25 0.00 1.31 0.00 0.00 55.95 56.32 3ir8 s SER 15 Cb -0.10 -0.16 0.09 0.00 0.21 0.00 0.00 66.02 66.05 3ir8 s SER 15 CO -0.00 0.04 1.14 -0.83 0.41 0.00 0.00 173.24 174.00 3ir8 s GLY 16 N -2.30 -0.07 -0.03 3.44 0.00 -0.50 -1.78 107.32 106.08 3ir8 s GLY 16 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 3ir8 s GLY 16 CO 0.06 2.79 0.01 -0.51 0.00 0.00 0.00 173.10 175.45 3ir8 s THR 17 N -2.28 0.13 -0.15 0.90 -4.23 -0.66 -1.25 115.64 108.10 3ir8 s THR 17 Ca 0.22 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3ir8 s THR 17 Cb -0.01 -0.25 0.03 0.00 1.34 0.00 0.00 72.50 73.61 3ir8 s THR 17 CO 0.02 0.15 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.47 3ir8 s VAL 18 N 1.22 1.25 -1.54 2.29 1.01 -0.56 -1.75 120.40 122.32 3ir8 s VAL 18 Ca -0.07 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3ir8 s VAL 18 Cb -0.13 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.02 3ir8 s VAL 18 CO -0.02 0.28 0.69 0.59 0.00 0.00 0.00 175.10 176.63 3ir8 n ASN 19 N 4.85 -2.37 0.00 3.32 4.13 0.33 -1.22 115.26 124.29 3ir8 n ASN 19 Ca -0.13 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.17 3ir8 n ASN 19 Cb 0.49 -3.18 0.00 0.00 -1.54 0.00 0.00 39.78 35.55 3ir8 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ir8 n GLY 20 N -1.69 1.66 3.56 7.41 0.00 -1.26 -5.02 105.19 109.86 3ir8 n GLY 20 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3ir8 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ir8 s HIS 21 N -2.74 3.20 0.27 1.61 5.04 -0.36 -5.05 115.29 117.26 3ir8 s HIS 21 Ca 0.00 0.16 -0.25 0.00 -1.54 0.00 0.00 55.06 53.43 3ir8 s HIS 21 Cb 0.00 -2.80 -0.09 0.00 0.04 0.00 0.00 32.58 29.73 3ir8 s HIS 21 CO 0.00 -0.46 0.87 -0.47 -2.34 0.00 0.00 174.74 172.34 3ir8 s TYR 22 N 2.24 3.74 0.20 3.88 5.04 -1.26 -1.50 117.35 129.68 3ir8 s TYR 22 Ca 0.16 1.68 -0.18 0.00 -2.44 0.00 0.00 57.07 56.29 3ir8 s TYR 22 Cb -0.16 -2.83 0.03 0.00 0.35 0.00 0.00 41.96 39.35 3ir8 s TYR 22 CO 0.12 0.31 0.54 -0.59 -1.34 0.00 0.00 175.55 174.59 3ir8 s PHE 23 N -1.49 -0.15 0.01 4.97 -0.12 -0.38 -4.24 117.98 116.58 3ir8 s PHE 23 Ca 0.46 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.15 3ir8 s PHE 23 Cb -0.19 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3ir8 s PHE 23 CO 0.24 -0.93 -0.03 -1.21 -0.05 0.00 0.00 175.22 173.25 3ir8 s GLU 24 N -3.87 0.25 0.01 1.99 2.02 -0.45 -1.41 118.70 117.24 3ir8 s GLU 24 Ca 0.09 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.82 3ir8 s GLU 24 Cb -0.01 -0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.09 3ir8 s GLU 24 CO -0.03 0.02 -0.11 0.08 0.02 0.00 0.00 175.26 175.24 3ir8 s VAL 25 N -0.55 0.87 0.01 2.63 1.01 -0.23 -1.18 120.40 122.96 3ir8 s VAL 25 Ca -0.05 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3ir8 s VAL 25 Cb -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3ir8 s VAL 25 CO -0.00 0.12 -0.19 -1.61 0.00 0.00 0.00 175.10 173.41 3ir8 s GLU 26 N -0.60 1.43 0.04 2.72 2.02 -0.28 -0.83 118.70 123.21 3ir8 s GLU 26 Ca 0.02 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3ir8 s GLU 26 Cb -0.05 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.69 3ir8 s GLU 26 CO 0.00 0.39 -0.05 0.20 0.02 0.00 0.00 175.26 175.82 3ir8 s GLY 27 N -0.79 0.45 -0.16 -1.39 0.00 0.28 -0.98 107.32 104.74 3ir8 s GLY 27 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3ir8 s GLY 27 CO 0.00 -0.95 -0.21 0.99 0.00 0.00 0.00 173.10 172.94 3ir8 s ASP 28 N -2.00 3.09 0.39 1.64 1.01 -0.23 -1.04 116.67 119.55 3ir8 s ASP 28 Ca -0.06 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.63 3ir8 s ASP 28 Cb -0.05 -1.45 -0.06 0.00 1.01 0.00 0.00 42.92 42.38 3ir8 s ASP 28 CO -0.03 0.03 0.04 -0.83 0.21 0.00 0.00 175.17 174.59 3ir8 s GLY 29 N 1.08 2.43 0.17 0.21 0.00 0.58 -1.12 107.32 110.68 3ir8 s GLY 29 Ca -0.01 -1.87 -0.21 0.00 0.00 0.00 0.00 44.72 42.64 3ir8 s GLY 29 CO -0.08 -1.99 0.57 -1.59 0.00 0.00 0.00 173.10 170.02 3ir8 s LYS 30 N -3.80 1.33 0.00 2.90 -2.85 -0.20 -0.73 119.74 116.38 3ir8 s LYS 30 Ca 0.31 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 3ir8 s LYS 30 Cb 0.08 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 3ir8 s LYS 30 CO 0.15 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.43 3ir8 n GLY 31 N -0.36 -1.30 2.87 0.59 0.00 -0.68 -1.30 105.19 105.01 3ir8 n GLY 31 Ca -0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3ir8 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir8 s LYS 32 N -0.83 1.24 0.56 1.61 3.01 -0.52 -2.03 119.74 122.80 3ir8 s LYS 32 Ca 0.00 -1.71 0.26 0.00 -1.01 0.00 0.00 55.97 53.51 3ir8 s LYS 32 Cb 0.00 -2.67 1.64 0.00 -1.01 0.00 0.00 37.83 35.78 3ir8 s LYS 32 CO 0.00 -1.01 2.21 -1.35 0.51 0.00 0.00 175.35 175.71 3ir8 h PRO 33 N 7.52 0.00 0.00 -1.68 0.11 -1.80 -0.17 132.00 135.98 3ir8 h PRO 33 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ir8 h PRO 33 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ir8 h PRO 33 CO 0.52 0.02 -0.33 0.66 -0.21 0.00 0.00 178.00 178.65 3ir8 n TYR 34 N -4.00 0.33 0.98 0.65 4.01 -1.26 -3.46 117.16 114.40 3ir8 n TYR 34 Ca -0.03 0.09 0.11 0.00 -0.16 0.00 0.00 57.90 57.91 3ir8 n TYR 34 Cb 0.10 -0.55 0.02 0.00 -0.31 0.00 0.00 39.34 38.60 3ir8 n TYR 34 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ir8 n GLU 35 N -1.81 0.02 -1.59 -0.72 4.71 -0.13 -4.68 120.64 116.43 3ir8 n GLU 35 Ca 0.05 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.11 3ir8 n GLU 35 Cb 0.38 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 3ir8 n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ir8 n GLY 36 N 1.49 0.70 3.31 0.62 0.00 -0.88 -4.61 105.19 105.82 3ir8 n GLY 36 Ca 0.04 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3ir8 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir8 s GLU 37 N -3.39 2.45 0.11 1.61 2.02 -1.22 -1.34 118.70 118.94 3ir8 s GLU 37 Ca 0.00 -0.88 -0.25 0.00 0.02 0.00 0.00 54.97 53.86 3ir8 s GLU 37 Cb 0.00 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 32.14 3ir8 s GLU 37 CO 0.00 0.46 0.66 1.14 0.02 0.00 0.00 175.26 177.54 3ir8 s GLN 38 N -0.34 1.18 0.05 1.61 -2.07 -1.04 -1.43 119.66 117.61 3ir8 s GLN 38 Ca 0.02 -0.38 -0.02 0.00 -1.82 0.00 0.00 55.36 53.16 3ir8 s GLN 38 Cb -0.12 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3ir8 s GLN 38 CO 0.02 -0.50 0.01 0.95 -1.32 0.00 0.00 175.29 174.45 3ir8 s THR 39 N -3.42 0.19 -0.12 3.63 -4.23 -0.42 -1.79 115.64 109.48 3ir8 s THR 39 Ca 0.01 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 58.81 3ir8 s THR 39 Cb -0.01 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.60 3ir8 s THR 39 CO -0.10 -0.85 0.43 0.54 -0.54 0.00 0.00 174.62 174.10 3ir8 s VAL 40 N -3.46 0.01 -0.15 2.29 0.11 -0.74 -1.03 120.40 117.44 3ir8 s VAL 40 Ca 0.03 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3ir8 s VAL 40 Cb 0.04 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 3ir8 s VAL 40 CO -0.08 -0.06 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.97 3ir8 s LYS 41 N -0.28 3.38 0.18 1.54 1.02 -0.28 -0.76 119.74 124.55 3ir8 s LYS 41 Ca -0.04 -0.67 0.10 0.00 0.02 0.00 0.00 55.97 55.38 3ir8 s LYS 41 Cb -0.03 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3ir8 s LYS 41 CO 0.02 0.12 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.84 3ir8 s LEU 42 N 0.61 2.44 -0.03 3.17 2.01 0.15 -1.06 118.68 125.97 3ir8 s LEU 42 Ca -0.07 -0.86 0.00 0.00 0.01 0.00 0.00 54.13 53.22 3ir8 s LEU 42 Cb -0.15 -1.03 0.02 0.00 0.01 0.00 0.00 46.19 45.04 3ir8 s LEU 42 CO 0.03 0.06 -0.00 -0.89 1.01 0.00 0.00 176.35 176.56 3ir8 s THR 43 N -1.82 0.17 -0.42 5.49 2.01 -0.15 -1.92 115.64 118.99 3ir8 s THR 43 Ca 0.19 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 3ir8 s THR 43 Cb -0.07 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.21 3ir8 s THR 43 CO 0.09 0.13 1.27 -0.69 -0.69 0.00 0.00 174.62 174.73 3ir8 s VAL 44 N 0.89 4.08 -0.16 3.82 1.01 -0.16 -1.12 120.40 128.76 3ir8 s VAL 44 Ca -0.09 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.22 3ir8 s VAL 44 Cb -0.12 -4.38 -0.12 0.00 0.00 0.00 0.00 36.38 31.76 3ir8 s VAL 44 CO -0.02 -0.83 0.82 0.35 0.00 0.00 0.00 175.10 175.42 3ir8 n THR 45 N 6.84 0.77 -3.79 3.92 -2.24 -0.32 -4.77 114.28 114.68 3ir8 n THR 45 Ca 0.14 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3ir8 n THR 45 Cb 0.48 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 3ir8 n THR 45 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ir8 s LYS 46 N -3.18 0.49 0.00 -0.78 1.02 -1.09 -4.93 119.74 111.27 3ir8 s LYS 46 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.99 3ir8 s LYS 46 Cb 0.10 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 3ir8 s LYS 46 CO 0.82 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 3ir8 n GLY 47 N 2.02 0.51 3.87 -3.33 0.00 -1.26 -1.34 105.19 105.66 3ir8 n GLY 47 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3ir8 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ir8 s GLY 48 N -2.00 2.07 0.47 -0.02 0.00 -1.26 -3.81 107.32 102.76 3ir8 s GLY 48 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 3ir8 s GLY 48 CO 0.00 -0.05 1.11 2.56 0.00 0.00 0.00 173.10 176.72 3ir8 s PRO 49 N -3.45 3.78 0.20 2.90 0.04 -1.26 -5.10 135.00 132.11 3ir8 s PRO 49 Ca 0.50 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 3ir8 s PRO 49 Cb -0.10 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3ir8 s PRO 49 CO 0.26 -0.49 1.33 -0.51 0.04 0.00 0.00 177.00 177.63 3ir8 s LEU 50 N -3.17 4.41 -0.01 -3.56 1.43 -1.25 -4.93 118.68 111.60 3ir8 s LEU 50 Ca 0.65 2.42 0.01 0.00 -1.03 0.00 0.00 54.13 56.18 3ir8 s LEU 50 Cb -0.24 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.41 3ir8 s LEU 50 CO 0.29 -0.55 0.78 -0.81 0.23 0.00 0.00 176.35 176.29 3ir8 n PRO 51 N 2.69 1.14 -4.12 1.29 -0.04 -1.26 -4.89 135.00 129.81 3ir8 n PRO 51 Ca 0.07 -0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.29 3ir8 n PRO 51 Cb 0.42 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3ir8 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ir8 s PHE 52 N -1.49 0.74 0.17 0.54 -0.71 -1.26 -4.65 117.98 111.32 3ir8 s PHE 52 Ca 0.03 -1.16 -0.32 0.00 -1.04 0.00 0.00 56.93 54.44 3ir8 s PHE 52 Cb 0.02 -0.43 -0.12 0.00 -1.21 0.00 0.00 43.02 41.28 3ir8 s PHE 52 CO 0.01 -0.50 1.76 0.00 -1.34 0.00 0.00 175.22 175.16 3ir8 n ALA 53 N -0.05 2.48 -0.19 1.99 0.00 0.35 -4.89 120.51 120.19 3ir8 n ALA 53 Ca -0.08 0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.89 3ir8 n ALA 53 Cb 0.63 -2.54 0.49 0.00 0.00 0.00 0.00 19.45 18.03 3ir8 n ALA 53 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3ir8 h TRP 54 N 7.44 0.54 -0.32 0.00 2.91 -1.96 -2.82 115.95 121.74 3ir8 h TRP 54 Ca -0.45 0.02 0.09 0.00 1.13 0.00 0.00 58.89 59.68 3ir8 h TRP 54 Cb 1.21 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 3ir8 h TRP 54 CO 0.70 0.20 0.23 -0.44 -1.03 0.00 0.00 178.44 178.10 3ir8 h ASP 55 N 0.45 0.00 0.88 2.65 3.32 -1.95 0.19 116.42 121.97 3ir8 h ASP 55 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3ir8 h ASP 55 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3ir8 h ASP 55 CO -0.14 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.54 3ir8 h ILE 56 N 0.00 0.00 0.00 0.35 3.07 -1.90 -2.94 117.51 116.09 3ir8 h ILE 56 Ca 0.15 -0.36 -0.21 0.00 1.55 0.00 0.00 64.86 65.99 3ir8 h ILE 56 Cb 0.61 1.22 -0.04 0.00 -0.27 0.00 0.00 36.82 38.34 3ir8 h ILE 56 CO -0.00 0.00 -1.48 -0.07 -1.05 0.00 0.00 178.15 175.54 3ir8 h LEU 57 N 0.00 0.00 -1.15 0.16 3.38 -0.83 -3.42 115.31 113.44 3ir8 h LEU 57 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ir8 h LEU 57 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3ir8 h LEU 57 CO 0.00 0.72 0.58 0.77 0.09 0.00 0.00 178.44 180.60 3ir8 h SER 58 N 0.00 0.96 0.06 -0.43 4.64 -1.35 -1.23 113.55 116.20 3ir8 h SER 58 Ca -0.20 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3ir8 h SER 58 Cb 1.73 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3ir8 h SER 58 CO 0.06 0.67 0.00 -2.65 -0.87 0.00 0.00 176.83 174.04 3ir8 n PRO 59 N -4.43 0.65 -0.45 4.77 -0.02 -1.26 -2.40 135.00 131.85 3ir8 n PRO 59 Ca 0.11 0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3ir8 n PRO 59 Cb 0.08 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.37 3ir8 n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ir8 n GLN 60 N -1.04 3.20 -1.55 -0.52 1.13 -0.47 -4.83 117.38 113.30 3ir8 n GLN 60 Ca 0.16 -2.69 -0.26 0.00 -1.94 0.00 0.00 57.00 52.27 3ir8 n GLN 60 Cb 0.09 -1.68 0.07 0.00 0.11 0.00 0.00 30.24 28.83 3ir8 n GLN 60 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3ir8 n LEU 61 N 1.18 5.99 0.00 1.08 4.77 -1.01 -4.96 117.00 124.05 3ir8 n LEU 61 Ca 0.23 -4.40 0.00 0.00 -0.03 0.00 0.00 56.01 51.82 3ir8 n LEU 61 Cb 0.72 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ir8 n LEU 61 CO 0.19 1.70 0.00 -0.24 -1.33 0.00 0.00 177.39 177.71 3ir8 n SER 65 N -0.87 0.00 0.22 -1.43 2.88 -1.26 -4.97 113.62 108.19 3ir8 n SER 65 Ca 0.51 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 3ir8 n SER 65 Cb 0.88 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.63 3ir8 n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ir8 h ILE 66 N 0.00 0.25 0.00 2.46 1.08 -2.00 -2.78 117.51 116.52 3ir8 h ILE 66 Ca 0.00 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 3ir8 h ILE 66 Cb 0.00 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3ir8 h ILE 66 CO 0.00 0.13 0.00 -2.65 -0.69 0.00 0.00 178.15 174.94 3ir8 n PRO 67 N -3.17 0.10 -1.60 2.37 -0.02 -1.26 -2.05 135.00 129.38 3ir8 n PRO 67 Ca 0.02 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 3ir8 n PRO 67 Cb 0.51 -1.73 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 3ir8 n PRO 67 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ir8 n PHE 68 N -1.94 1.78 -5.10 6.00 3.72 -1.05 -4.70 117.46 116.18 3ir8 n PHE 68 Ca 0.01 -2.14 -0.32 0.00 -0.05 0.00 0.00 57.45 54.95 3ir8 n PHE 68 Cb 0.14 -1.50 -0.16 0.00 -0.94 0.00 0.00 39.48 37.02 3ir8 n PHE 68 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ir8 s THR 69 N -1.87 2.41 -0.25 4.37 2.01 -0.87 -4.29 115.64 117.16 3ir8 s THR 69 Ca 0.58 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 3ir8 s THR 69 Cb 0.33 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3ir8 s THR 69 CO -0.19 0.56 1.19 -0.75 -0.69 0.00 0.00 174.62 174.75 3ir8 s LYS 70 N 0.00 4.12 -0.12 4.92 2.20 -0.47 -4.63 119.74 125.76 3ir8 s LYS 70 Ca -0.07 1.37 -0.03 0.00 -0.36 0.00 0.00 55.97 56.88 3ir8 s LYS 70 Cb -0.15 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3ir8 s LYS 70 CO 0.05 -0.85 -0.01 0.71 -0.36 0.00 0.00 175.35 174.89 3ir8 s TYR 71 N 3.72 3.10 0.72 4.03 2.02 -1.26 -0.71 117.35 128.96 3ir8 s TYR 71 Ca 0.51 -0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 3ir8 s TYR 71 Cb -0.17 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.54 3ir8 s TYR 71 CO 0.15 0.24 1.10 -1.25 -1.57 0.00 0.00 175.55 174.22 3ir8 s PRO 72 N -0.27 2.52 0.46 -1.71 0.04 -1.26 -4.91 135.00 129.86 3ir8 s PRO 72 Ca 0.06 1.29 0.24 0.00 0.04 0.00 0.00 61.00 62.63 3ir8 s PRO 72 Cb -0.12 -1.92 1.27 0.00 0.04 0.00 0.00 34.50 33.76 3ir8 s PRO 72 CO 0.02 -1.46 1.84 1.05 0.04 0.00 0.00 177.00 178.49 3ir8 h GLU 73 N -0.54 0.22 -0.36 4.56 9.09 -2.00 -1.94 114.58 123.62 3ir8 h GLU 73 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3ir8 h GLU 73 Cb 1.24 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3ir8 h GLU 73 CO 0.53 0.15 0.00 -0.40 0.05 0.00 0.00 179.01 179.33 3ir8 n ASP 74 N -4.43 2.08 -3.95 3.06 5.75 -1.26 -4.71 116.55 113.09 3ir8 n ASP 74 Ca 0.22 -1.95 -0.30 0.00 -0.01 0.00 0.00 54.79 52.74 3ir8 n ASP 74 Cb 0.90 -0.24 -0.16 0.00 -1.03 0.00 0.00 41.12 40.59 3ir8 n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3ir8 s ILE 75 N -1.52 1.48 0.24 2.12 1.01 -0.73 -5.06 121.20 118.73 3ir8 s ILE 75 Ca 0.28 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 3ir8 s ILE 75 Cb 0.15 -1.64 -0.14 0.00 0.01 0.00 0.00 42.46 40.83 3ir8 s ILE 75 CO 0.20 0.07 1.16 -2.65 0.00 0.00 0.00 174.94 173.71 3ir8 n PRO 76 N 4.72 1.44 -3.32 2.79 -0.02 -1.26 -4.58 135.00 134.78 3ir8 n PRO 76 Ca -0.13 0.51 -0.47 0.00 -2.02 0.00 0.00 63.50 61.39 3ir8 n PRO 76 Cb 0.46 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3ir8 n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ir8 s ASP 77 N -0.17 6.51 0.24 2.55 -1.08 -1.26 -4.42 116.67 119.05 3ir8 s ASP 77 Ca 0.66 -2.29 -0.05 0.00 -0.52 0.00 0.00 52.55 50.34 3ir8 s ASP 77 Cb -0.75 -2.21 0.36 0.00 -1.46 0.00 0.00 42.92 38.86 3ir8 s ASP 77 CO 0.55 -0.70 1.82 0.22 0.52 0.00 0.00 175.17 177.58 3ir8 h TYR 78 N 8.27 0.86 0.01 -5.34 3.20 -1.91 -2.21 116.97 119.86 3ir8 h TYR 78 Ca -0.07 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 3ir8 h TYR 78 Cb 1.07 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 39.07 3ir8 h TYR 78 CO 0.90 0.38 -0.28 0.74 -1.64 0.00 0.00 178.16 178.27 3ir8 h PHE 79 N 0.82 0.25 -0.71 -3.82 0.04 -1.93 -2.91 116.94 108.68 3ir8 h PHE 79 Ca 0.38 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 3ir8 h PHE 79 Cb 0.29 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3ir8 h PHE 79 CO -0.06 0.99 0.29 0.87 -0.60 0.00 0.00 178.31 179.80 3ir8 h LYS 80 N -0.55 1.06 -0.22 1.51 1.57 -1.87 -2.93 116.57 115.14 3ir8 h LYS 80 Ca -0.04 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3ir8 h LYS 80 Cb 1.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3ir8 h LYS 80 CO 0.05 0.87 0.18 1.96 -0.57 0.00 0.00 179.45 181.95 3ir8 h GLN 81 N 1.02 0.00 0.00 3.15 4.20 -1.43 -2.99 115.11 119.05 3ir8 h GLN 81 Ca 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 3ir8 h GLN 81 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3ir8 h GLN 81 CO -0.02 0.00 -0.06 0.66 -0.67 0.00 0.00 178.83 178.74 3ir8 h SER 82 N 0.00 0.00 -3.97 1.46 4.64 -1.31 -3.44 113.55 110.93 3ir8 h SER 82 Ca 0.10 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.94 3ir8 h SER 82 Cb 0.47 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3ir8 h SER 82 CO -0.00 0.06 0.42 -0.36 -0.87 0.00 0.00 176.83 176.08 3ir8 s PHE 83 N -3.86 3.24 -0.45 4.77 0.08 -1.13 -0.38 117.98 120.24 3ir8 s PHE 83 Ca -0.01 1.63 0.25 0.00 0.12 0.00 0.00 56.93 58.93 3ir8 s PHE 83 Cb 0.11 -3.14 0.64 0.00 -0.57 0.00 0.00 43.02 40.05 3ir8 s PHE 83 CO 0.54 -0.69 1.71 -1.00 -0.10 0.00 0.00 175.22 175.69 3ir8 h PRO 84 N 2.45 0.00 -0.90 0.24 0.13 -1.90 -3.45 132.00 128.58 3ir8 h PRO 84 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3ir8 h PRO 84 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 3ir8 h PRO 84 CO 0.62 0.00 0.59 0.93 -0.23 0.00 0.00 178.00 179.91 3ir8 h GLU 85 N 0.00 1.12 0.00 0.86 3.07 -1.84 -3.38 114.58 114.40 3ir8 h GLU 85 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3ir8 h GLU 85 Cb 0.83 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3ir8 h GLU 85 CO 0.00 0.74 0.00 0.41 -1.40 0.00 0.00 179.01 178.76 3ir8 n GLY 86 N -1.40 -1.73 3.55 -3.84 0.00 0.48 -4.80 105.19 97.46 3ir8 n GLY 86 Ca 0.11 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 3ir8 n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ir8 s TYR 87 N 0.00 -0.13 0.24 1.61 -0.85 -0.94 -0.60 117.35 116.69 3ir8 s TYR 87 Ca 0.00 -0.22 0.07 0.00 -0.52 0.00 0.00 57.07 56.40 3ir8 s TYR 87 Cb 0.00 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 3ir8 s TYR 87 CO 0.00 -0.95 -0.09 0.95 -1.52 0.00 0.00 175.55 173.94 3ir8 s THR 88 N -3.88 1.64 0.11 -3.49 -4.23 0.18 -0.54 115.64 105.43 3ir8 s THR 88 Ca 0.09 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.29 3ir8 s THR 88 Cb -0.01 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.60 3ir8 s THR 88 CO -0.02 -0.43 0.38 -1.66 -0.54 0.00 0.00 174.62 172.35 3ir8 s TRP 89 N -3.03 -0.18 0.05 3.99 1.48 -0.91 -0.72 118.94 119.63 3ir8 s TRP 89 Ca 0.26 -0.11 0.08 0.00 -1.06 0.00 0.00 56.10 55.27 3ir8 s TRP 89 Cb 0.02 0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 32.52 3ir8 s TRP 89 CO 0.09 -0.67 -0.22 -1.21 -4.06 0.00 0.00 176.95 170.89 3ir8 s GLU 90 N -3.62 1.45 -0.07 3.25 0.41 -0.69 -0.97 118.70 118.46 3ir8 s GLU 90 Ca 0.02 -1.00 -0.04 0.00 -0.41 0.00 0.00 54.97 53.54 3ir8 s GLU 90 Cb 0.02 -1.60 0.04 0.00 -1.78 0.00 0.00 34.13 30.80 3ir8 s GLU 90 CO -0.11 0.41 0.16 0.50 -0.49 0.00 0.00 175.26 175.73 3ir8 s ARG 91 N -1.27 0.12 -0.14 1.61 3.52 0.06 -0.90 118.95 121.95 3ir8 s ARG 91 Ca 0.08 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 56.01 3ir8 s ARG 91 Cb -0.09 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 3ir8 s ARG 91 CO 0.02 -0.14 0.01 0.45 -0.81 0.00 0.00 175.30 174.83 3ir8 s SER 92 N 1.03 5.23 -0.38 -2.12 0.15 -0.20 -0.53 113.70 116.87 3ir8 s SER 92 Ca -0.08 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 3ir8 s SER 92 Cb -0.10 -1.75 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 3ir8 s SER 92 CO -0.05 0.24 0.19 -0.04 1.20 0.00 0.00 173.24 174.78 3ir8 s MET 93 N -0.05 2.65 -0.58 5.44 1.00 0.78 -1.42 119.30 127.12 3ir8 s MET 93 Ca 0.04 -1.28 -0.11 0.00 0.00 0.00 0.00 55.69 54.34 3ir8 s MET 93 Cb -0.13 -3.66 0.15 0.00 0.00 0.00 0.00 34.83 31.20 3ir8 s MET 93 CO 0.02 -0.80 0.48 -0.80 0.00 0.00 0.00 175.02 173.92 3ir8 s ASN 94 N 1.73 5.97 0.54 3.03 0.01 0.52 -1.84 114.94 124.89 3ir8 s ASN 94 Ca 0.01 -2.19 -0.18 0.00 -0.71 0.00 0.00 52.86 49.79 3ir8 s ASN 94 Cb -0.21 -2.07 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 3ir8 s ASN 94 CO 0.03 -0.66 1.07 -0.36 -1.51 0.00 0.00 177.10 175.68 3ir8 s PHE 95 N 0.95 2.89 0.43 2.20 0.08 -0.65 -0.73 117.98 123.14 3ir8 s PHE 95 Ca 0.09 1.55 0.33 0.00 0.12 0.00 0.00 56.93 59.02 3ir8 s PHE 95 Cb -0.23 -3.11 1.69 0.00 -0.57 0.00 0.00 43.02 40.81 3ir8 s PHE 95 CO -0.02 -1.15 2.14 1.05 -0.10 0.00 0.00 175.22 177.14 3ir8 h GLU 96 N 1.04 0.00 -0.01 0.44 4.11 -1.33 -1.95 114.58 116.87 3ir8 h GLU 96 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3ir8 h GLU 96 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3ir8 h GLU 96 CO 0.58 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 3ir8 n ASP 97 N -3.42 0.72 0.00 3.06 5.75 -1.26 -4.92 116.55 116.48 3ir8 n ASP 97 Ca -0.02 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 3ir8 n ASP 97 Cb 0.20 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3ir8 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ir8 n GLY 98 N 1.07 0.07 3.76 6.12 0.00 -0.73 -5.08 105.19 110.40 3ir8 n GLY 98 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3ir8 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir8 s ALA 99 N -2.00 2.85 -0.01 4.61 0.00 -1.26 -4.86 121.76 121.09 3ir8 s ALA 99 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3ir8 s ALA 99 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3ir8 s ALA 99 CO 0.00 -1.18 -0.02 0.08 0.00 0.00 0.00 175.76 174.65 3ir8 s VAL 100 N -1.38 0.17 -0.02 0.00 1.01 -1.26 -1.64 120.40 117.28 3ir8 s VAL 100 Ca 0.70 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.69 3ir8 s VAL 100 Cb -0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3ir8 s VAL 100 CO 0.44 0.07 -0.21 0.00 0.00 0.00 0.00 175.10 175.40 3ir8 s THR 102 N -0.70 3.54 0.02 0.00 -4.23 -0.22 -0.16 115.64 113.88 3ir8 s THR 102 Ca 0.11 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 3ir8 s THR 102 Cb -0.10 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 3ir8 s THR 102 CO 0.00 0.48 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.75 3ir8 s VAL 103 N -0.90 0.97 -0.00 2.29 1.01 0.31 -0.62 120.40 123.46 3ir8 s VAL 103 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3ir8 s VAL 103 Cb -0.11 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3ir8 s VAL 103 CO 0.04 0.09 -0.03 -0.44 0.00 0.00 0.00 175.10 174.77 3ir8 s SER 104 N -0.76 0.34 0.01 3.32 0.01 -0.65 -0.76 113.70 115.20 3ir8 s SER 104 Ca 0.02 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.27 3ir8 s SER 104 Cb -0.06 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 3ir8 s SER 104 CO 0.00 0.03 -0.12 0.21 0.41 0.00 0.00 173.24 173.77 3ir8 s ASN 105 N 0.01 1.37 -0.09 2.44 3.84 -0.15 -1.32 114.94 121.04 3ir8 s ASN 105 Ca 0.00 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 52.81 3ir8 s ASN 105 Cb -0.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 41.25 40.54 3ir8 s ASN 105 CO -0.00 0.09 -0.18 -0.62 -2.79 0.00 0.00 177.10 173.59 3ir8 s ASP 106 N -0.58 3.60 -0.14 -4.21 2.15 0.18 -2.13 116.67 115.54 3ir8 s ASP 106 Ca 0.03 -0.39 0.02 0.00 0.43 0.00 0.00 52.55 52.64 3ir8 s ASP 106 Cb -0.06 -1.21 0.01 0.00 -0.30 0.00 0.00 42.92 41.37 3ir8 s ASP 106 CO 0.00 0.22 -0.20 -0.44 -0.17 0.00 0.00 175.17 174.59 3ir8 s SER 107 N -0.01 2.96 0.08 -0.34 0.01 0.30 -0.84 113.70 115.86 3ir8 s SER 107 Ca -0.06 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.64 3ir8 s SER 107 Cb -0.15 -1.36 -0.00 0.00 0.21 0.00 0.00 66.02 64.72 3ir8 s SER 107 CO 0.05 0.04 0.03 -1.54 0.41 0.00 0.00 173.24 172.22 3ir8 n SER 108 N 4.28 0.94 -3.92 2.44 3.41 -0.24 -2.21 113.62 118.32 3ir8 n SER 108 Ca -0.20 -1.44 -0.13 0.00 -0.26 0.00 0.00 58.87 56.84 3ir8 n SER 108 Cb 0.51 0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 3ir8 n SER 108 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3ir8 s ILE 109 N -1.86 0.19 -0.21 -1.33 2.07 -1.26 -0.24 121.20 118.55 3ir8 s ILE 109 Ca 0.04 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.08 3ir8 s ILE 109 Cb 0.00 -0.18 0.07 0.00 0.13 0.00 0.00 42.46 42.48 3ir8 s ILE 109 CO 0.03 0.01 0.06 0.00 -1.91 0.00 0.00 174.94 173.13 3ir8 s GLN 110 N -0.18 0.50 6.16 3.50 1.03 -0.17 -4.93 119.66 125.56 3ir8 s GLN 110 Ca -0.00 -0.45 0.00 0.00 0.04 0.00 0.00 55.36 54.95 3ir8 s GLN 110 Cb -0.02 -1.94 0.00 0.00 0.03 0.00 0.00 33.01 31.08 3ir8 s GLN 110 CO -0.00 -0.73 0.00 0.41 -2.54 0.00 0.00 175.29 172.43 3ir8 n GLY 111 N 5.09 2.12 0.95 2.60 0.00 -1.26 -1.70 105.19 112.99 3ir8 n GLY 111 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.49 3ir8 n GLY 111 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ir8 n ASN 112 N 3.89 2.51 -3.81 1.61 6.94 -1.26 -4.86 115.26 120.29 3ir8 n ASN 112 Ca 0.00 -2.30 -0.25 0.00 -0.02 0.00 0.00 54.58 52.01 3ir8 n ASN 112 Cb 0.00 -0.56 -0.17 0.00 -2.36 0.00 0.00 39.78 36.69 3ir8 n ASN 112 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ir8 s PHE 114 N 1.84 2.93 -0.18 0.00 0.08 -0.37 -1.00 117.98 121.28 3ir8 s PHE 114 Ca 0.03 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.65 3ir8 s PHE 114 Cb -0.14 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 3ir8 s PHE 114 CO -0.07 -1.32 -0.18 0.42 -0.10 0.00 0.00 175.22 173.98 3ir8 s ILE 115 N -1.62 1.94 -0.15 0.64 -1.09 0.67 -0.96 121.20 120.63 3ir8 s ILE 115 Ca 0.64 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 58.10 3ir8 s ILE 115 Cb -0.26 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3ir8 s ILE 115 CO 0.31 0.46 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.11 3ir8 s TYR 116 N 1.32 2.97 -0.17 3.97 2.02 -0.30 -1.08 117.35 126.08 3ir8 s TYR 116 Ca 0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 3ir8 s TYR 116 Cb -0.14 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3ir8 s TYR 116 CO -0.12 -0.09 -0.15 -0.80 -1.57 0.00 0.00 175.55 172.82 3ir8 s ASN 117 N 0.39 2.93 0.02 2.29 0.01 -0.02 -0.72 114.94 119.83 3ir8 s ASN 117 Ca -0.06 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.51 3ir8 s ASN 117 Cb -0.15 -1.28 -0.01 0.00 0.41 0.00 0.00 41.25 40.22 3ir8 s ASN 117 CO 0.03 -0.05 -0.05 0.54 -1.51 0.00 0.00 177.10 176.07 3ir8 s VAL 118 N 1.41 0.31 -0.02 1.60 0.11 -0.22 -0.64 120.40 122.95 3ir8 s VAL 118 Ca 0.04 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 3ir8 s VAL 118 Cb -0.13 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3ir8 s VAL 118 CO -0.11 -0.22 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.55 3ir8 s LYS 119 N -0.91 1.25 0.01 1.54 2.20 -0.44 -1.65 119.74 121.73 3ir8 s LYS 119 Ca -0.07 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 3ir8 s LYS 119 Cb -0.06 -1.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.08 3ir8 s LYS 119 CO -0.00 0.26 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.60 3ir8 s ILE 120 N -0.17 1.21 -0.07 5.43 2.07 -0.74 -1.64 121.20 127.30 3ir8 s ILE 120 Ca 0.02 -0.77 -0.00 0.00 -1.41 0.00 0.00 60.65 58.48 3ir8 s ILE 120 Cb -0.07 -1.04 0.03 0.00 0.13 0.00 0.00 42.46 41.51 3ir8 s ILE 120 CO 0.00 0.25 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.32 3ir8 s SER 121 N -0.61 1.43 -0.04 4.50 1.04 0.21 -1.66 113.70 118.56 3ir8 s SER 121 Ca 0.05 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.37 3ir8 s SER 121 Cb -0.07 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.59 3ir8 s SER 121 CO 0.00 -0.14 -0.07 -0.83 0.98 0.00 0.00 173.24 173.19 3ir8 s GLY 122 N 1.58 0.52 0.00 7.32 0.00 -0.72 -1.06 107.32 114.97 3ir8 s GLY 122 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3ir8 s GLY 122 CO -0.04 0.29 0.76 1.18 0.00 0.00 0.00 173.10 175.30 3ir8 n GLU 123 N 3.87 1.18 -1.30 2.90 -0.58 -1.26 -0.51 120.64 124.94 3ir8 n GLU 123 Ca -0.24 -1.03 0.02 0.00 -0.42 0.00 0.00 57.16 55.49 3ir8 n GLU 123 Cb 0.51 -0.98 0.10 0.00 -0.57 0.00 0.00 31.44 30.50 3ir8 n GLU 123 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3ir8 n ASN 124 N -0.27 1.69 -4.77 1.62 6.94 -1.26 -4.62 115.26 114.59 3ir8 n ASN 124 Ca 0.00 -2.93 -0.38 0.00 -0.02 0.00 0.00 54.58 51.24 3ir8 n ASN 124 Cb 0.15 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 3ir8 n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3ir8 s PHE 125 N -1.98 3.35 0.28 -2.53 0.08 -1.26 -4.41 117.98 111.50 3ir8 s PHE 125 Ca 0.37 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.76 3ir8 s PHE 125 Cb 0.38 -3.26 -0.11 0.00 -0.57 0.00 0.00 43.02 39.47 3ir8 s PHE 125 CO -0.10 -0.76 1.48 -1.25 -0.10 0.00 0.00 175.22 174.49 3ir8 s PRO 126 N -2.01 4.22 0.60 0.24 0.04 -1.26 -4.88 135.00 131.96 3ir8 s PRO 126 Ca 0.52 2.40 0.39 0.00 0.04 0.00 0.00 61.00 64.35 3ir8 s PRO 126 Cb -0.28 -3.07 1.87 0.00 0.04 0.00 0.00 34.50 33.06 3ir8 s PRO 126 CO 0.36 -0.47 2.17 -1.00 0.04 0.00 0.00 177.00 178.09 3ir8 h PRO 127 N 4.69 0.00 -0.47 0.56 0.13 -1.98 -1.79 132.00 133.14 3ir8 h PRO 127 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ir8 h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ir8 h PRO 127 CO 0.76 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.80 3ir8 n ASN 128 N -3.08 3.27 -4.70 1.44 6.94 -1.26 -4.54 115.26 113.33 3ir8 n ASN 128 Ca -0.01 -1.98 -0.23 0.00 -0.02 0.00 0.00 54.58 52.33 3ir8 n ASN 128 Cb 0.19 -0.31 0.10 0.00 -2.36 0.00 0.00 39.78 37.40 3ir8 n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ir8 s GLY 129 N -1.01 1.76 0.45 4.83 0.00 -0.67 -4.84 107.32 107.83 3ir8 s GLY 129 Ca 0.32 -1.77 0.14 0.00 0.00 0.00 0.00 44.72 43.41 3ir8 s GLY 129 CO 0.22 -1.21 1.99 -0.56 0.00 0.00 0.00 173.10 173.54 3ir8 h PRO 130 N -0.47 0.00 0.21 2.90 0.13 -1.95 -0.54 132.00 132.29 3ir8 h PRO 130 Ca -0.36 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3ir8 h PRO 130 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3ir8 h PRO 130 CO 0.40 0.18 -0.10 0.28 -0.23 0.00 0.00 178.00 178.53 3ir8 h VAL 131 N 0.00 0.74 0.00 1.56 2.07 -1.94 0.49 116.25 119.16 3ir8 h VAL 131 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3ir8 h VAL 131 Cb 0.32 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3ir8 h VAL 131 CO 0.02 0.18 0.00 0.24 0.02 0.00 0.00 177.57 178.03 3ir8 h MET 132 N -0.86 0.00 -0.18 1.57 2.86 -1.75 0.11 114.93 116.67 3ir8 h MET 132 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ir8 h MET 132 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3ir8 h MET 132 CO 0.05 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.06 3ir8 n GLN 133 N -3.00 2.32 -3.56 1.72 1.13 -0.22 -4.62 117.38 111.15 3ir8 n GLN 133 Ca 0.01 -1.95 -0.22 0.00 -1.94 0.00 0.00 57.00 52.89 3ir8 n GLN 133 Cb 0.29 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.21 3ir8 n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ir8 n LYS 134 N 1.26 -3.28 -0.42 -1.09 5.02 -0.73 -4.93 118.16 113.99 3ir8 n LYS 134 Ca 0.17 0.66 0.08 0.00 -2.02 0.00 0.00 58.31 57.19 3ir8 n LYS 134 Cb 0.57 -5.11 0.23 0.00 -0.02 0.00 0.00 35.03 30.71 3ir8 n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ir8 n LYS 135 N -3.96 2.54 -3.75 1.97 4.76 0.08 -4.99 118.16 114.82 3ir8 n LYS 135 Ca -0.18 -2.84 -0.28 0.00 -2.87 0.00 0.00 58.31 52.15 3ir8 n LYS 135 Cb 0.64 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 3ir8 n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ir8 s THR 136 N -2.88 5.24 -0.30 -0.18 -4.23 -1.26 -0.69 115.64 111.33 3ir8 s THR 136 Ca 0.41 -0.40 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 3ir8 s THR 136 Cb 0.34 -3.72 0.48 0.00 1.34 0.00 0.00 72.50 70.93 3ir8 s THR 136 CO 0.07 -0.12 1.07 0.00 -0.54 0.00 0.00 174.62 175.10 3ir8 n GLN 137 N -0.52 2.01 0.00 3.99 6.02 0.26 -4.84 117.38 124.29 3ir8 n GLN 137 Ca -0.05 -3.64 0.00 0.00 -0.01 0.00 0.00 57.00 53.30 3ir8 n GLN 137 Cb 0.53 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3ir8 n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir8 n GLY 138 N -0.43 -0.34 3.86 1.08 0.00 -1.26 -4.66 105.19 103.45 3ir8 n GLY 138 Ca 0.17 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 3ir8 n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ir8 s TRP 139 N -2.39 3.52 0.66 1.61 0.52 -1.26 -1.04 118.94 120.55 3ir8 s TRP 139 Ca 0.00 0.90 -0.16 0.00 0.02 0.00 0.00 56.10 56.87 3ir8 s TRP 139 Cb 0.00 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 3ir8 s TRP 139 CO 0.00 0.38 1.13 -1.21 0.02 0.00 0.00 176.95 177.27 3ir8 s GLU 140 N -2.34 2.74 0.83 4.98 0.41 -0.55 -4.81 118.70 119.96 3ir8 s GLU 140 Ca 0.41 1.49 -0.14 0.00 -0.41 0.00 0.00 54.97 56.33 3ir8 s GLU 140 Cb -0.13 -1.93 0.04 0.00 -1.78 0.00 0.00 34.13 30.32 3ir8 s GLU 140 CO 0.20 -1.32 0.79 -0.35 -0.49 0.00 0.00 175.26 174.09 3ir8 n PRO 141 N -2.33 0.05 -3.98 0.39 -0.05 -1.26 -4.77 135.00 123.05 3ir8 n PRO 141 Ca 0.11 0.08 -0.11 0.00 -0.05 0.00 0.00 63.50 63.53 3ir8 n PRO 141 Cb 0.51 -2.10 -0.02 0.00 -0.05 0.00 0.00 33.50 31.84 3ir8 n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 3ir8 s SER 142 N -1.93 0.37 -0.08 3.54 1.04 -0.58 -4.92 113.70 111.14 3ir8 s SER 142 Ca 0.66 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 3ir8 s SER 142 Cb -0.28 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3ir8 s SER 142 CO 0.58 -1.37 -0.03 -0.89 0.98 0.00 0.00 173.24 172.50 3ir8 s THR 143 N -3.11 0.61 -0.06 2.02 2.01 -1.26 -0.55 115.64 115.30 3ir8 s THR 143 Ca 0.23 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 3ir8 s THR 143 Cb -0.02 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3ir8 s THR 143 CO 0.15 0.29 0.43 -0.70 -0.69 0.00 0.00 174.62 174.10 3ir8 s GLU 144 N 1.76 4.13 -0.19 4.92 2.12 0.57 -4.49 118.70 127.52 3ir8 s GLU 144 Ca 0.03 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.69 3ir8 s GLU 144 Cb -0.13 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3ir8 s GLU 144 CO -0.05 0.44 0.09 0.50 -0.54 0.00 0.00 175.26 175.70 3ir8 s ARG 145 N -0.29 4.08 -0.02 4.30 3.52 0.12 -1.00 118.95 129.66 3ir8 s ARG 145 Ca 0.24 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 3ir8 s ARG 145 Cb -0.16 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3ir8 s ARG 145 CO 0.12 0.29 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.13 3ir8 s LEU 146 N 0.36 2.05 0.04 -0.88 1.02 0.05 -1.09 118.68 120.23 3ir8 s LEU 146 Ca 0.05 -0.46 0.06 0.00 0.02 0.00 0.00 54.13 53.80 3ir8 s LEU 146 Cb -0.12 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 3ir8 s LEU 146 CO -0.01 0.30 -0.18 -0.36 0.02 0.00 0.00 176.35 176.12 3ir8 s PHE 147 N -0.53 1.55 -0.10 0.29 0.08 -0.01 -1.52 117.98 117.74 3ir8 s PHE 147 Ca 0.08 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 56.64 3ir8 s PHE 147 Cb -0.10 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 3ir8 s PHE 147 CO -0.00 0.07 0.31 0.00 -0.10 0.00 0.00 175.22 175.49 3ir8 s ALA 148 N -0.81 3.67 -0.17 5.36 0.00 -1.26 -0.62 121.76 127.92 3ir8 s ALA 148 Ca 0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3ir8 s ALA 148 Cb -0.08 -2.32 0.06 0.00 0.00 0.00 0.00 23.12 20.78 3ir8 s ALA 148 CO 0.02 0.30 0.41 0.50 0.00 0.00 0.00 175.76 176.99 3ir8 s ARG 149 N -0.26 0.38 -1.61 0.00 3.52 -0.45 -4.96 118.95 115.58 3ir8 s ARG 149 Ca 0.19 0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 56.45 3ir8 s ARG 149 Cb -0.14 0.02 0.13 0.00 -1.56 0.00 0.00 34.95 33.40 3ir8 s ARG 149 CO 0.07 -0.17 0.84 -0.25 -0.81 0.00 0.00 175.30 174.97 3ir8 n ASP 150 N 4.43 -3.92 0.00 -2.12 8.00 -1.26 -0.47 116.55 121.21 3ir8 n ASP 150 Ca -0.21 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3ir8 n ASP 150 Cb 0.54 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 3ir8 n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir8 n GLY 151 N -1.47 0.97 3.82 0.44 0.00 -1.26 -5.03 105.19 102.65 3ir8 n GLY 151 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3ir8 n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ir8 s MET 152 N -0.06 2.47 -0.12 1.61 -1.94 0.38 -4.61 119.30 117.03 3ir8 s MET 152 Ca 0.00 -1.56 -0.01 0.00 -1.71 0.00 0.00 55.69 52.41 3ir8 s MET 152 Cb 0.00 -2.28 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 3ir8 s MET 152 CO 0.00 -0.07 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.34 3ir8 s LEU 153 N -4.01 2.96 -0.24 -0.03 1.43 -0.72 -1.34 118.68 116.73 3ir8 s LEU 153 Ca 0.43 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3ir8 s LEU 153 Cb -0.02 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3ir8 s LEU 153 CO 0.26 0.20 0.10 -0.63 0.23 0.00 0.00 176.35 176.51 3ir8 s ILE 154 N 0.13 4.74 0.06 -0.59 -1.09 0.20 -0.54 121.20 124.11 3ir8 s ILE 154 Ca -0.04 -0.03 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 3ir8 s ILE 154 Cb -0.14 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3ir8 s ILE 154 CO 0.04 0.34 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.03 3ir8 s GLY 155 N 1.33 1.29 -0.01 6.18 0.00 0.14 -0.83 107.32 115.42 3ir8 s GLY 155 Ca 0.06 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3ir8 s GLY 155 CO 0.05 -1.12 -0.01 0.21 0.00 0.00 0.00 173.10 172.22 3ir8 s ASN 156 N -1.35 0.33 -0.05 1.64 3.84 -0.25 -0.25 114.94 118.85 3ir8 s ASN 156 Ca 0.10 -0.04 -0.02 0.00 0.21 0.00 0.00 52.86 53.11 3ir8 s ASN 156 Cb -0.09 -0.11 0.04 0.00 -0.55 0.00 0.00 41.25 40.54 3ir8 s ASN 156 CO 0.02 -0.03 0.10 -0.62 -2.79 0.00 0.00 177.10 173.79 3ir8 s ASP 157 N 0.40 0.36 -0.63 -4.21 -1.08 -0.43 -0.70 116.67 110.37 3ir8 s ASP 157 Ca -0.04 0.19 -0.22 0.00 -0.52 0.00 0.00 52.55 51.97 3ir8 s ASP 157 Cb -0.06 0.07 0.07 0.00 -1.46 0.00 0.00 42.92 41.54 3ir8 s ASP 157 CO -0.01 -0.18 0.90 -0.31 0.52 0.00 0.00 175.17 176.08 3ir8 s TYR 158 N 1.57 2.76 0.25 -5.34 2.02 -1.26 -0.79 117.35 116.57 3ir8 s TYR 158 Ca -0.04 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3ir8 s TYR 158 Cb -0.12 -4.17 -0.03 0.00 -0.40 0.00 0.00 41.96 37.23 3ir8 s TYR 158 CO -0.05 -1.52 0.41 -1.64 -1.57 0.00 0.00 175.55 171.19 3ir8 s MET 159 N 3.72 3.47 -0.09 -0.62 -1.94 0.67 -4.82 119.30 119.69 3ir8 s MET 159 Ca 0.21 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.63 3ir8 s MET 159 Cb -0.18 -2.82 0.04 0.00 2.01 0.00 0.00 34.83 33.88 3ir8 s MET 159 CO 0.11 0.35 0.04 0.00 -0.01 0.00 0.00 175.02 175.50 3ir8 s ALA 160 N -2.03 0.55 -0.14 3.03 0.00 -1.26 -0.54 121.76 121.36 3ir8 s ALA 160 Ca 0.37 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3ir8 s ALA 160 Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3ir8 s ALA 160 CO 0.31 -0.67 0.50 -0.51 0.00 0.00 0.00 175.76 175.39 3ir8 s LEU 161 N 2.05 4.24 0.26 0.00 1.43 0.59 -1.48 118.68 125.76 3ir8 s LEU 161 Ca 0.04 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 3ir8 s LEU 161 Cb -0.13 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 3ir8 s LEU 161 CO -0.05 -0.07 1.18 -0.54 0.23 0.00 0.00 176.35 177.10 3ir8 s LYS 162 N 0.97 4.53 0.06 1.70 1.02 -0.21 -0.28 119.74 127.54 3ir8 s LYS 162 Ca 0.26 1.91 0.04 0.00 0.02 0.00 0.00 55.97 58.20 3ir8 s LYS 162 Cb -0.15 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3ir8 s LYS 162 CO 0.10 0.03 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.02 3ir8 s LEU 163 N -1.07 3.35 0.20 3.17 1.43 -0.57 -0.58 118.68 124.62 3ir8 s LEU 163 Ca 0.48 -0.17 -0.32 0.00 -1.03 0.00 0.00 54.13 53.09 3ir8 s LEU 163 Cb -0.34 -2.04 -0.15 0.00 0.03 0.00 0.00 46.19 43.69 3ir8 s LEU 163 CO 0.42 0.21 1.15 1.21 0.23 0.00 0.00 176.35 179.57 3ir8 n GLU 164 N 0.91 1.26 -1.05 1.70 2.13 0.13 -0.67 120.64 125.04 3ir8 n GLU 164 Ca -0.13 0.45 -0.02 0.00 0.66 0.00 0.00 57.16 58.12 3ir8 n GLU 164 Cb 0.52 -1.93 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 3ir8 n GLU 164 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ir8 n GLY 165 N 1.88 0.46 0.00 8.31 0.00 -1.26 -4.90 105.19 109.69 3ir8 n GLY 165 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ir8 n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir8 n GLY 166 N -1.52 0.47 0.00 -0.02 0.00 0.15 -5.11 105.19 99.16 3ir8 n GLY 166 Ca -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ir8 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ir8 n GLY 167 N 0.58 -0.66 3.16 -0.02 0.00 -1.26 -4.51 105.19 102.47 3ir8 n GLY 167 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 3ir8 n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ir8 s HIS 168 N -1.52 1.05 -0.30 1.61 0.09 -1.26 -1.51 115.29 113.45 3ir8 s HIS 168 Ca 0.00 -0.59 -0.06 0.00 -0.00 0.00 0.00 55.06 54.41 3ir8 s HIS 168 Cb 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 32.58 32.02 3ir8 s HIS 168 CO 0.00 0.00 0.07 -0.47 -0.00 0.00 0.00 174.74 174.34 3ir8 s TYR 169 N -2.03 3.16 0.31 1.40 5.04 0.62 -4.92 117.35 120.93 3ir8 s TYR 169 Ca 0.02 -1.13 -0.16 0.00 -2.44 0.00 0.00 57.07 53.35 3ir8 s TYR 169 Cb -0.05 -2.23 -0.09 0.00 0.35 0.00 0.00 41.96 39.93 3ir8 s TYR 169 CO 0.01 -0.62 0.74 -0.51 -1.34 0.00 0.00 175.55 173.83 3ir8 s LEU 170 N 1.46 4.10 -0.13 6.97 1.43 -1.26 -0.30 118.68 130.94 3ir8 s LEU 170 Ca 0.01 1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 54.36 3ir8 s LEU 170 Cb -0.18 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.06 3ir8 s LEU 170 CO 0.02 -0.18 0.32 0.00 0.23 0.00 0.00 176.35 176.74 3ir8 s GLU 172 N 1.25 4.04 -0.23 0.00 2.12 0.09 -0.23 118.70 125.74 3ir8 s GLU 172 Ca -0.09 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.47 3ir8 s GLU 172 Cb -0.09 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3ir8 s GLU 172 CO -0.10 -0.42 0.38 -0.06 -0.54 0.00 0.00 175.26 174.53 3ir8 s PHE 173 N 2.43 3.32 -0.20 5.30 0.40 0.03 -0.36 117.98 128.91 3ir8 s PHE 173 Ca 0.23 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 3ir8 s PHE 173 Cb -0.15 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.85 3ir8 s PHE 173 CO 0.09 -0.10 -0.14 0.15 0.70 0.00 0.00 175.22 175.93 3ir8 s LYS 174 N 1.62 3.12 0.11 0.44 1.02 -0.50 -1.32 119.74 124.23 3ir8 s LYS 174 Ca 0.17 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.46 3ir8 s LYS 174 Cb -0.15 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3ir8 s LYS 174 CO 0.08 -0.21 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.02 3ir8 s SER 175 N 1.36 2.10 -0.09 2.83 0.01 0.65 -1.04 113.70 119.52 3ir8 s SER 175 Ca 0.05 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.57 3ir8 s SER 175 Cb -0.14 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3ir8 s SER 175 CO -0.09 -0.08 -0.10 -0.89 0.41 0.00 0.00 173.24 172.49 3ir8 s THR 176 N -1.76 1.10 -0.14 1.44 2.01 -0.08 0.24 115.64 118.45 3ir8 s THR 176 Ca 0.07 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 3ir8 s THR 176 Cb -0.07 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 3ir8 s THR 176 CO 0.03 0.36 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.01 3ir8 s TYR 177 N 1.18 3.09 -0.24 4.92 2.02 0.30 -1.70 117.35 126.92 3ir8 s TYR 177 Ca -0.05 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.56 3ir8 s TYR 177 Cb -0.14 -1.92 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 3ir8 s TYR 177 CO -0.02 0.16 0.05 0.15 -1.57 0.00 0.00 175.55 174.31 3ir8 s LYS 178 N -0.05 0.82 0.52 -0.62 3.01 0.10 -1.76 119.74 121.76 3ir8 s LYS 178 Ca 0.03 -0.74 -0.21 0.00 -1.01 0.00 0.00 55.97 54.03 3ir8 s LYS 178 Cb -0.13 -2.13 -0.06 0.00 -1.01 0.00 0.00 37.83 34.50 3ir8 s LYS 178 CO 0.02 -0.76 1.23 0.00 0.51 0.00 0.00 175.35 176.34 3ir8 s ALA 179 N 1.70 2.81 -1.65 5.17 0.00 -1.26 -0.65 121.76 127.88 3ir8 s ALA 179 Ca 0.02 1.05 0.31 0.00 0.00 0.00 0.00 51.96 53.34 3ir8 s ALA 179 Cb -0.17 -3.45 1.62 0.00 0.00 0.00 0.00 23.12 21.12 3ir8 s ALA 179 CO -0.14 -0.98 2.10 1.63 0.00 0.00 0.00 175.76 178.36 3ir8 n LYS 180 N -0.95 0.65 -4.09 0.00 5.02 0.24 -4.76 118.16 114.27 3ir8 n LYS 180 Ca 0.10 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 3ir8 n LYS 180 Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 3ir8 n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3ir8 s LYS 181 N -2.37 1.02 0.45 1.97 -2.85 -1.26 -5.02 119.74 111.68 3ir8 s LYS 181 Ca 0.35 -1.37 -0.25 0.00 -1.00 0.00 0.00 55.97 53.71 3ir8 s LYS 181 Cb 0.21 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 3ir8 s LYS 181 CO 0.43 -0.32 1.31 -2.14 0.10 0.00 0.00 175.35 174.73 3ir8 s PRO 182 N -4.03 3.72 0.30 1.78 0.02 -1.26 -4.97 135.00 130.57 3ir8 s PRO 182 Ca 0.23 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.42 3ir8 s PRO 182 Cb 0.06 -2.58 -0.06 0.00 0.02 0.00 0.00 34.50 31.94 3ir8 s PRO 182 CO 0.02 -0.69 0.07 0.14 -0.33 0.00 0.00 177.00 176.21 3ir8 s VAL 183 N -1.31 0.99 -0.05 3.83 -7.23 -1.26 -4.99 120.40 110.37 3ir8 s VAL 183 Ca 0.62 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3ir8 s VAL 183 Cb -0.38 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3ir8 s VAL 183 CO 0.47 -0.00 1.35 -0.60 -0.31 0.00 0.00 175.10 176.01 3ir8 s ARG 184 N -3.94 4.28 0.11 4.82 6.06 -1.26 -4.96 118.95 124.06 3ir8 s ARG 184 Ca 0.37 1.85 -0.28 0.00 -2.50 0.00 0.00 55.73 55.17 3ir8 s ARG 184 Cb 0.08 -3.65 -0.06 0.00 0.06 0.00 0.00 34.95 31.38 3ir8 s ARG 184 CO 0.15 -0.60 0.87 -1.64 -2.50 0.00 0.00 175.30 171.58 3ir8 s MET 185 N 2.76 4.64 0.80 5.12 -1.94 -1.26 -4.70 119.30 124.73 3ir8 s MET 185 Ca 0.61 1.29 -0.12 0.00 -1.71 0.00 0.00 55.69 55.76 3ir8 s MET 185 Cb -0.28 -3.34 0.07 0.00 2.01 0.00 0.00 34.83 33.29 3ir8 s MET 185 CO 0.23 0.33 1.12 -1.25 -0.01 0.00 0.00 175.02 175.44 3ir8 s PRO 186 N -0.35 2.03 0.00 2.03 0.04 -1.26 -4.79 135.00 132.70 3ir8 s PRO 186 Ca 0.42 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.92 3ir8 s PRO 186 Cb -0.23 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3ir8 s PRO 186 CO 0.27 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.11 3ir8 n GLY 187 N -2.47 1.21 3.77 0.56 0.00 -1.26 -4.66 105.19 102.34 3ir8 n GLY 187 Ca 0.07 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3ir8 n GLY 187 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ir8 s ARG 188 N 1.53 3.88 0.33 1.61 1.70 -1.26 -4.74 118.95 122.00 3ir8 s ARG 188 Ca 0.00 2.25 -0.17 0.00 -0.47 0.00 0.00 55.73 57.33 3ir8 s ARG 188 Cb 0.00 -2.73 0.06 0.00 -0.57 0.00 0.00 34.95 31.71 3ir8 s ARG 188 CO 0.00 -0.59 0.87 -3.38 -1.08 0.00 0.00 175.30 171.12 3ir8 s HIS 189 N -1.24 0.12 0.05 5.89 -3.43 -0.58 -4.39 115.29 111.72 3ir8 s HIS 189 Ca 0.58 -0.73 0.04 0.00 -0.80 0.00 0.00 55.06 54.15 3ir8 s HIS 189 Cb -0.40 0.81 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 3ir8 s HIS 189 CO 0.51 -1.39 -0.12 -1.21 -2.00 0.00 0.00 174.74 170.54 3ir8 s GLU 190 N -2.17 0.73 -0.13 -0.38 2.02 -0.66 -0.77 118.70 117.34 3ir8 s GLU 190 Ca 0.18 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 3ir8 s GLU 190 Cb -0.04 -0.66 0.03 0.00 0.10 0.00 0.00 34.13 33.56 3ir8 s GLU 190 CO 0.10 0.15 -0.07 0.42 0.02 0.00 0.00 175.26 175.87 3ir8 s ILE 191 N -1.19 1.09 -0.04 -1.63 1.01 -0.17 -1.02 121.20 119.24 3ir8 s ILE 191 Ca -0.04 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 3ir8 s ILE 191 Cb -0.09 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3ir8 s ILE 191 CO 0.01 0.31 0.76 -1.81 0.00 0.00 0.00 174.94 174.21 3ir8 s ASP 192 N 1.67 7.09 0.05 3.58 1.01 -0.64 -0.31 116.67 129.11 3ir8 s ASP 192 Ca 0.04 1.31 0.03 0.00 0.71 0.00 0.00 52.55 54.64 3ir8 s ASP 192 Cb -0.13 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3ir8 s ASP 192 CO -0.08 -0.12 -0.09 -0.13 0.21 0.00 0.00 175.17 174.95 3ir8 s ARG 193 N 0.69 0.61 -0.08 8.23 0.52 0.28 -1.14 118.95 128.07 3ir8 s ARG 193 Ca 0.40 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3ir8 s ARG 193 Cb -0.19 -0.45 0.03 0.00 0.52 0.00 0.00 34.95 34.86 3ir8 s ARG 193 CO 0.21 0.09 -0.03 0.21 0.02 0.00 0.00 175.30 175.80 3ir8 s LYS 194 N -1.56 0.87 -0.14 3.54 2.20 -0.67 -1.53 119.74 122.46 3ir8 s LYS 194 Ca -0.07 -0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 3ir8 s LYS 194 Cb -0.10 -1.09 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 3ir8 s LYS 194 CO 0.01 -0.25 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.48 3ir8 s LEU 195 N 1.72 2.91 0.02 5.43 2.96 -1.26 -1.81 118.68 128.64 3ir8 s LEU 195 Ca 0.02 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3ir8 s LEU 195 Cb -0.13 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3ir8 s LEU 195 CO -0.05 0.17 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.21 3ir8 s ASP 196 N 0.31 1.65 -0.15 3.68 1.01 -0.06 -4.59 116.67 118.51 3ir8 s ASP 196 Ca -0.08 -0.36 -0.27 0.00 0.71 0.00 0.00 52.55 52.55 3ir8 s ASP 196 Cb -0.15 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.63 3ir8 s ASP 196 CO 0.05 0.10 0.90 -0.69 0.21 0.00 0.00 175.17 175.74 3ir8 s VAL 197 N -0.60 4.83 -0.34 -1.27 1.01 -1.26 -0.38 120.40 122.39 3ir8 s VAL 197 Ca 0.03 1.79 0.17 0.00 0.00 0.00 0.00 61.98 63.98 3ir8 s VAL 197 Cb -0.07 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 3ir8 s VAL 197 CO 0.00 0.00 0.51 0.35 0.00 0.00 0.00 175.10 175.97 3ir8 n THR 198 N 4.72 0.00 -3.61 3.92 -2.24 0.36 -4.95 114.28 112.47 3ir8 n THR 198 Ca 0.06 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3ir8 n THR 198 Cb 0.49 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 3ir8 n THR 198 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ir8 s SER 199 N -3.41 -0.66 -0.23 3.42 0.15 -1.19 -4.94 113.70 106.85 3ir8 s SER 199 Ca -0.01 1.08 -0.26 0.00 0.70 0.00 0.00 55.95 57.46 3ir8 s SER 199 Cb 0.12 1.05 0.09 0.00 -1.71 0.00 0.00 66.02 65.56 3ir8 s SER 199 CO 0.71 -0.37 0.82 -1.38 1.20 0.00 0.00 173.24 174.21 3ir8 s HIS 200 N -0.23 -0.65 1.04 3.44 -3.43 -1.26 -1.28 115.29 112.91 3ir8 s HIS 200 Ca -0.04 1.48 -0.16 0.00 -0.80 0.00 0.00 55.06 55.55 3ir8 s HIS 200 Cb -0.03 0.33 0.21 0.00 -1.43 0.00 0.00 32.58 31.66 3ir8 s HIS 200 CO 0.04 -0.38 1.17 0.54 -2.00 0.00 0.00 174.74 174.11 3ir8 s ASN 201 N -0.06 2.37 0.28 7.38 2.20 -0.73 -4.96 114.94 121.42 3ir8 s ASN 201 Ca -0.01 0.70 0.00 0.00 -0.94 0.00 0.00 52.86 52.61 3ir8 s ASN 201 Cb -0.04 -1.04 0.52 0.00 -2.00 0.00 0.00 41.25 38.69 3ir8 s ASN 201 CO 0.01 -3.23 1.84 0.03 -2.94 0.00 0.00 177.10 172.80 3ir8 h ARG 202 N -1.97 0.98 -0.67 3.55 3.08 -2.02 -2.72 114.38 114.61 3ir8 h ARG 202 Ca -0.47 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3ir8 h ARG 202 Cb 1.30 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3ir8 h ARG 202 CO 0.46 0.65 0.00 -0.40 -1.07 0.00 0.00 179.97 179.61 3ir8 n ASP 203 N -4.61 3.94 -3.53 7.04 5.75 -1.26 -4.96 116.55 118.92 3ir8 n ASP 203 Ca 0.18 -2.08 -0.26 0.00 -0.01 0.00 0.00 54.79 52.62 3ir8 n ASP 203 Cb 0.32 -0.47 0.03 0.00 -1.03 0.00 0.00 41.12 39.97 3ir8 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3ir8 n TYR 204 N 1.39 -2.17 0.81 2.11 4.02 -1.03 -4.42 117.16 117.88 3ir8 n TYR 204 Ca 0.23 0.72 0.12 0.00 -0.01 0.00 0.00 57.90 58.96 3ir8 n TYR 204 Cb 0.64 -3.97 0.20 0.00 -0.02 0.00 0.00 39.34 36.19 3ir8 n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ir8 n THR 205 N -4.50 0.14 -3.81 -0.72 -2.24 -1.26 -4.74 114.28 97.14 3ir8 n THR 205 Ca -0.01 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 3ir8 n THR 205 Cb 0.56 0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.73 3ir8 n THR 205 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ir8 s SER 206 N -3.51 1.49 -0.02 3.42 0.01 -1.26 -0.99 113.70 112.84 3ir8 s SER 206 Ca 0.09 -0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 3ir8 s SER 206 Cb 0.16 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.96 3ir8 s SER 206 CO 0.72 -0.18 0.07 -0.69 0.41 0.00 0.00 173.24 173.57 3ir8 s VAL 207 N 1.85 0.03 0.17 3.43 1.01 -0.81 -1.78 120.40 124.31 3ir8 s VAL 207 Ca 0.03 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.83 3ir8 s VAL 207 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3ir8 s VAL 207 CO -0.05 -0.15 -0.22 -1.61 0.00 0.00 0.00 175.10 173.07 3ir8 s GLU 208 N -0.47 1.39 0.11 2.72 2.02 -0.41 0.33 118.70 124.40 3ir8 s GLU 208 Ca -0.05 -1.45 -0.01 0.00 0.02 0.00 0.00 54.97 53.48 3ir8 s GLU 208 Cb -0.03 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 3ir8 s GLU 208 CO 0.00 0.34 0.02 -0.65 0.02 0.00 0.00 175.26 174.99 3ir8 s GLN 209 N -2.65 0.84 0.04 1.61 -0.21 0.06 -0.49 119.66 118.85 3ir8 s GLN 209 Ca 0.18 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.21 3ir8 s GLN 209 Cb -0.07 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 3ir8 s GLN 209 CO 0.08 -0.18 -0.09 0.00 -2.12 0.00 0.00 175.29 172.98 3ir8 s GLU 211 N -1.36 0.13 -0.03 0.00 2.12 -0.74 -0.88 118.70 117.93 3ir8 s GLU 211 Ca -0.07 0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.42 3ir8 s GLU 211 Cb -0.09 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 3ir8 s GLU 211 CO 0.01 -0.02 -0.24 0.96 -0.54 0.00 0.00 175.26 175.43 3ir8 s ILE 212 N -0.05 2.26 -0.10 -3.70 -0.00 -0.75 -2.49 121.20 116.37 3ir8 s ILE 212 Ca -0.01 -1.03 -0.04 0.00 -0.00 0.00 0.00 60.65 59.57 3ir8 s ILE 212 Cb -0.01 -1.80 0.05 0.00 -0.00 0.00 0.00 42.46 40.70 3ir8 s ILE 212 CO 0.00 0.58 0.20 0.00 -0.00 0.00 0.00 174.94 175.73 3ir8 s ALA 213 N -0.63 -0.33 -0.10 2.27 0.00 -0.45 -1.67 121.76 120.85 3ir8 s ALA 213 Ca 0.10 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3ir8 s ALA 213 Cb -0.10 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3ir8 s ALA 213 CO -0.01 -0.55 -0.10 0.42 0.00 0.00 0.00 175.76 175.53 3ir8 s ILE 214 N 2.21 1.11 0.30 0.00 -1.09 -0.29 -1.37 121.20 122.07 3ir8 s ILE 214 Ca 0.01 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3ir8 s ILE 214 Cb -0.12 -1.07 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 3ir8 s ILE 214 CO -0.07 0.37 0.56 0.00 -1.23 0.00 0.00 174.94 174.57 3ir8 s ALA 215 N 1.30 3.61 0.19 9.38 0.00 0.11 -1.63 121.76 134.73 3ir8 s ALA 215 Ca -0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3ir8 s ALA 215 Cb -0.14 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.73 3ir8 s ALA 215 CO -0.04 0.22 0.62 -0.98 0.00 0.00 0.00 175.76 175.59 3ir8 s ARG 216 N -3.59 1.40 0.56 0.00 1.70 -0.19 -4.45 118.95 114.38 3ir8 s ARG 216 Ca 0.44 -0.61 -0.19 0.00 -0.47 0.00 0.00 55.73 54.90 3ir8 s ARG 216 Cb -0.11 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 3ir8 s ARG 216 CO 0.30 -0.62 1.18 -1.01 -1.08 0.00 0.00 175.30 174.07 3ir8 s HIS 217 N -3.79 2.52 -2.00 5.89 3.76 -1.26 -1.66 115.29 118.74 3ir8 s HIS 217 Ca 0.04 1.52 0.12 0.00 -0.15 0.00 0.00 55.06 56.59 3ir8 s HIS 217 Cb -0.02 -3.42 0.74 0.00 1.11 0.00 0.00 32.58 30.99 3ir8 s HIS 217 CO -0.08 -1.97 1.17 0.43 -0.85 0.00 0.00 174.74 173.44