#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1daa s TYR 2 N 0.00 1.72 0.05 1.61 1.51 -1.26 -1.25 117.35 119.73 1daa s TYR 2 Ca 0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1daa s TYR 2 Cb 0.00 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1daa s TYR 2 CO 0.00 0.15 -0.23 0.99 -1.11 0.00 0.00 175.55 175.35 1daa s THR 3 N -1.04 1.82 -0.22 -0.71 2.01 0.01 -4.68 115.64 112.84 1daa s THR 3 Ca 0.06 -1.29 -0.28 0.00 0.31 0.00 0.00 61.69 60.48 1daa s THR 3 Cb -0.09 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1daa s THR 3 CO 0.03 0.23 0.99 -0.22 -0.69 0.00 0.00 174.62 174.97 1daa s LEU 4 N -1.27 4.11 -0.30 4.42 2.96 -0.06 -0.78 118.68 127.76 1daa s LEU 4 Ca 0.09 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1daa s LEU 4 Cb -0.09 -3.47 0.09 0.00 0.50 0.00 0.00 46.19 43.22 1daa s LEU 4 CO 0.02 -0.61 0.04 0.86 -1.32 0.00 0.00 176.35 175.34 1daa s TRP 5 N 2.99 2.68 0.00 5.38 -0.00 0.28 -2.02 118.94 128.25 1daa s TRP 5 Ca 0.43 -2.23 0.00 0.00 -0.00 0.00 0.00 56.10 54.30 1daa s TRP 5 Cb -0.15 -2.14 0.00 0.00 -0.00 0.00 0.00 33.47 31.17 1daa s TRP 5 CO 0.08 -0.88 0.00 0.09 -0.00 0.00 0.00 176.95 176.24 1daa n ASN 6 N 4.57 0.00 -0.35 5.86 4.13 -0.07 -2.12 115.26 127.28 1daa n ASN 6 Ca -0.02 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.32 1daa n ASN 6 Cb 0.43 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.84 1daa n ASN 6 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1daa n ASP 7 N 7.54 2.45 -4.32 6.41 5.75 -1.26 -4.84 116.55 128.28 1daa n ASP 7 Ca 0.00 -3.28 -0.27 0.00 -0.01 0.00 0.00 54.79 51.23 1daa n ASP 7 Cb 0.00 -0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 39.48 1daa n ASP 7 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1daa s GLN 8 N -2.96 1.45 -0.27 0.11 -0.21 -0.90 -5.11 119.66 111.77 1daa s GLN 8 Ca 0.35 -1.13 -0.11 0.00 0.02 0.00 0.00 55.36 54.49 1daa s GLN 8 Cb 0.31 -1.70 -0.05 0.00 1.00 0.00 0.00 33.01 32.57 1daa s GLN 8 CO 0.02 0.42 0.17 0.42 -2.12 0.00 0.00 175.29 174.20 1daa s ILE 9 N -0.94 5.27 0.39 1.08 1.09 -1.26 -0.56 121.20 126.28 1daa s ILE 9 Ca 0.10 0.16 0.07 0.00 -1.10 0.00 0.00 60.65 59.87 1daa s ILE 9 Cb -0.10 -3.49 -0.08 0.00 -1.06 0.00 0.00 42.46 37.73 1daa s ILE 9 CO 0.03 0.28 0.01 0.68 -0.10 0.00 0.00 174.94 175.85 1daa s VAL 10 N 1.53 1.90 0.34 2.92 -7.23 0.04 -4.93 120.40 114.97 1daa s VAL 10 Ca 0.07 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 57.96 1daa s VAL 10 Cb -0.15 -2.95 -0.09 0.00 0.56 0.00 0.00 36.38 33.74 1daa s VAL 10 CO 0.09 -0.01 1.15 -0.54 -0.31 0.00 0.00 175.10 175.48 1daa s LYS 11 N -3.73 4.37 0.27 4.82 1.02 -1.26 -0.81 119.74 124.42 1daa s LYS 11 Ca 0.35 1.86 -0.04 0.00 0.02 0.00 0.00 55.97 58.16 1daa s LYS 11 Cb 0.09 -2.96 0.56 0.00 -0.52 0.00 0.00 37.83 35.01 1daa s LYS 11 CO 0.18 -0.05 1.60 -0.44 -0.92 0.00 0.00 175.35 175.72 1daa h ASP 12 N 3.27 -0.49 0.32 2.83 3.32 -1.49 -0.39 116.42 123.78 1daa h ASP 12 Ca -0.48 0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1daa h ASP 12 Cb 1.22 0.44 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1daa h ASP 12 CO 0.65 -0.27 0.00 -1.84 -1.72 0.00 0.00 179.24 176.06 1daa n GLU 13 N -5.45 0.07 0.13 3.56 0.00 -1.26 -2.48 120.64 115.20 1daa n GLU 13 Ca 0.18 0.26 0.12 0.00 0.00 0.00 0.00 57.16 57.71 1daa n GLU 13 Cb 0.58 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.67 1daa n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1daa h GLU 14 N 0.00 0.00 -6.44 3.44 5.08 -1.43 -3.46 114.58 111.77 1daa h GLU 14 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1daa h GLU 14 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1daa h GLU 14 CO 0.00 0.00 0.65 0.08 -1.00 0.00 0.00 179.01 178.74 1daa s VAL 15 N -3.23 3.93 -0.19 3.13 1.01 -1.04 -5.02 120.40 118.99 1daa s VAL 15 Ca 0.05 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.40 1daa s VAL 15 Cb 0.10 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1daa s VAL 15 CO 0.71 0.07 -0.17 -0.54 0.00 0.00 0.00 175.10 175.18 1daa s LYS 16 N 1.48 2.66 0.13 2.72 1.02 -1.26 -5.12 119.74 121.37 1daa s LYS 16 Ca 0.60 -0.88 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 1daa s LYS 16 Cb -0.30 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1daa s LYS 16 CO 0.28 -0.30 0.51 0.42 -0.92 0.00 0.00 175.35 175.34 1daa s ILE 17 N 1.30 4.91 0.09 2.17 -1.09 -1.26 -5.08 121.20 122.24 1daa s ILE 17 Ca 0.02 0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 59.05 1daa s ILE 17 Cb -0.15 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1daa s ILE 17 CO -0.11 0.26 0.48 -0.62 -1.23 0.00 0.00 174.94 173.72 1daa s ASP 18 N -1.72 6.79 0.62 3.58 2.15 -1.26 -4.97 116.67 121.87 1daa s ASP 18 Ca 0.36 0.99 0.36 0.00 0.43 0.00 0.00 52.55 54.69 1daa s ASP 18 Cb -0.15 -2.26 2.05 0.00 -0.30 0.00 0.00 42.92 42.27 1daa s ASP 18 CO 0.19 0.19 2.28 0.07 -0.17 0.00 0.00 175.17 177.73 1daa h LYS 19 N 3.96 0.00 -0.67 4.34 2.10 -2.02 -1.32 116.57 122.97 1daa h LYS 19 Ca -0.50 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.03 1daa h LYS 19 Cb 1.20 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.46 1daa h LYS 19 CO 0.65 0.00 0.15 0.39 -2.00 0.00 0.00 179.45 178.64 1daa n GLU 20 N -3.51 4.22 -2.13 0.07 1.02 -1.26 -4.62 120.64 114.43 1daa n GLU 20 Ca -0.03 -3.13 -0.42 0.00 -0.02 0.00 0.00 57.16 53.56 1daa n GLU 20 Cb 0.11 -2.24 -0.03 0.00 -0.02 0.00 0.00 31.44 29.26 1daa n GLU 20 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1daa s ASP 21 N -0.96 6.77 0.65 1.62 -1.08 -0.50 -2.83 116.67 120.34 1daa s ASP 21 Ca 0.55 2.21 0.38 0.00 -0.52 0.00 0.00 52.55 55.16 1daa s ASP 21 Cb 0.43 -2.56 2.09 0.00 -1.46 0.00 0.00 42.92 41.43 1daa s ASP 21 CO 0.14 -0.79 2.23 0.03 0.52 0.00 0.00 175.17 177.31 1daa h ARG 22 N 8.17 0.00 -0.44 4.34 3.08 -1.47 0.21 114.38 128.27 1daa h ARG 22 Ca -0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1daa h ARG 22 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1daa h ARG 22 CO 0.92 0.00 0.02 0.78 -1.07 0.00 0.00 179.97 180.61 1daa h GLY 23 N 0.00 0.76 1.72 0.04 0.00 -1.82 -0.24 103.07 103.53 1daa h GLY 23 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 47.33 46.61 1daa h GLY 23 CO -0.00 0.45 -1.19 -1.82 0.00 0.00 0.00 176.54 173.98 1daa h TYR 24 N 0.67 0.33 0.00 5.60 3.20 -0.92 -2.87 116.97 122.97 1daa h TYR 24 Ca 0.14 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1daa h TYR 24 Cb 0.39 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1daa h TYR 24 CO 0.02 1.19 -1.54 1.04 -1.64 0.00 0.00 178.16 177.23 1daa n GLN 25 N -3.46 0.60 0.00 1.82 6.02 -1.01 -4.69 117.38 116.66 1daa n GLN 25 Ca -0.06 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1daa n GLN 25 Cb 1.00 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.62 1daa n GLN 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1daa n PHE 26 N -2.38 0.00 -2.63 1.08 3.72 -0.13 -4.99 117.46 112.13 1daa n PHE 26 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1daa n PHE 26 Cb 0.55 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 1daa n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1daa n GLY 27 N 0.07 -0.48 3.24 1.37 0.00 -1.08 -4.89 105.19 103.42 1daa n GLY 27 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1daa n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1daa n ASP 28 N -2.11 4.95 -3.26 1.61 2.03 -1.04 -4.08 116.55 114.65 1daa n ASP 28 Ca -0.19 -2.98 -0.03 0.00 0.52 0.00 0.00 54.79 52.11 1daa n ASP 28 Cb 0.66 -1.60 0.02 0.00 -0.72 0.00 0.00 41.12 39.48 1daa n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1daa n GLY 29 N 4.03 0.61 3.08 0.27 0.00 -1.26 -2.25 105.19 109.67 1daa n GLY 29 Ca 0.42 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1daa n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1daa s VAL 30 N -2.07 0.39 0.18 1.61 -7.23 -0.45 -2.00 120.40 110.84 1daa s VAL 30 Ca 0.23 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1daa s VAL 30 Cb -0.03 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1daa s VAL 30 CO 0.05 -0.73 0.13 -0.72 -0.31 0.00 0.00 175.10 173.52 1daa s TYR 31 N -2.78 1.01 0.04 2.82 1.13 -0.91 -1.02 117.35 117.64 1daa s TYR 31 Ca -0.00 -1.29 -0.05 0.00 -1.41 0.00 0.00 57.07 54.32 1daa s TYR 31 Cb -0.00 -0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 1daa s TYR 31 CO -0.04 -0.62 0.08 -1.21 -2.51 0.00 0.00 175.55 171.25 1daa s GLU 32 N -4.11 0.58 -0.06 -3.49 0.41 0.37 -4.87 118.70 107.53 1daa s GLU 32 Ca 0.33 -0.78 0.04 0.00 -0.41 0.00 0.00 54.97 54.14 1daa s GLU 32 Cb 0.07 0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 1daa s GLU 32 CO 0.08 -0.14 -0.16 0.08 -0.49 0.00 0.00 175.26 174.63 1daa s VAL 33 N -2.67 1.37 -0.11 2.63 1.01 -1.26 -1.63 120.40 119.74 1daa s VAL 33 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1daa s VAL 33 Cb -0.01 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1daa s VAL 33 CO -0.05 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1daa s VAL 34 N 0.28 1.60 0.26 2.92 1.01 -0.41 -4.97 120.40 121.10 1daa s VAL 34 Ca -0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1daa s VAL 34 Cb -0.13 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1daa s VAL 34 CO 0.03 0.46 0.99 -0.75 0.00 0.00 0.00 175.10 175.83 1daa s LYS 35 N 0.85 4.75 -0.14 2.72 2.47 -1.26 -1.33 119.74 127.79 1daa s LYS 35 Ca -0.09 1.57 0.02 0.00 -1.56 0.00 0.00 55.97 55.91 1daa s LYS 35 Cb -0.15 -3.18 0.01 0.00 -1.46 0.00 0.00 37.83 33.04 1daa s LYS 35 CO 0.00 0.39 -0.21 0.08 0.16 0.00 0.00 175.35 175.77 1daa s VAL 36 N -1.23 2.15 -0.21 4.02 1.01 -0.10 -0.95 120.40 125.08 1daa s VAL 36 Ca 0.43 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1daa s VAL 36 Cb -0.27 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1daa s VAL 36 CO 0.34 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.54 1daa s TYR 37 N 0.76 2.90 -1.48 5.22 2.02 -0.26 -1.43 117.35 125.07 1daa s TYR 37 Ca -0.08 -1.48 -0.11 0.00 -0.37 0.00 0.00 57.07 55.03 1daa s TYR 37 Cb -0.16 -1.99 0.07 0.00 -0.40 0.00 0.00 41.96 39.48 1daa s TYR 37 CO -0.01 -0.73 0.97 0.09 -1.57 0.00 0.00 175.55 174.31 1daa n ASN 38 N 4.67 -4.50 0.00 2.29 3.02 -0.90 -1.31 115.26 118.53 1daa n ASN 38 Ca -0.19 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1daa n ASN 38 Cb 0.49 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1daa n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1daa n GLY 39 N -1.71 0.97 3.43 7.41 0.00 -0.32 -4.99 105.19 109.98 1daa n GLY 39 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1daa n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1daa s GLU 40 N -0.11 3.56 -0.07 1.61 2.12 -0.42 -5.04 118.70 120.35 1daa s GLU 40 Ca 0.00 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1daa s GLU 40 Cb 0.00 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 1daa s GLU 40 CO 0.00 0.10 1.38 -1.64 -0.54 0.00 0.00 175.26 174.57 1daa s MET 41 N 0.71 4.25 -0.03 4.30 -1.94 -1.26 -1.10 119.30 124.23 1daa s MET 41 Ca -0.02 1.88 -0.21 0.00 -1.71 0.00 0.00 55.69 55.63 1daa s MET 41 Cb -0.15 -3.72 -0.05 0.00 2.01 0.00 0.00 34.83 32.93 1daa s MET 41 CO 0.02 -0.66 0.60 0.12 -0.01 0.00 0.00 175.02 175.09 1daa s PHE 42 N 3.06 3.64 -1.53 -0.03 5.36 -0.13 -4.41 117.98 123.95 1daa s PHE 42 Ca 0.62 1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 57.71 1daa s PHE 42 Cb -0.28 -2.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.81 1daa s PHE 42 CO 0.23 0.28 0.10 0.25 -1.46 0.00 0.00 175.22 174.62 1daa n THR 43 N 3.05 -0.78 0.13 0.12 -2.24 -1.26 -4.50 114.28 108.81 1daa n THR 43 Ca -0.06 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 1daa n THR 43 Cb 0.51 -0.87 0.22 0.00 -2.10 0.00 0.00 70.33 68.10 1daa n THR 43 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1daa h VAL 44 N -1.51 1.36 -0.21 2.28 3.04 -1.94 -2.70 116.25 116.56 1daa h VAL 44 Ca -0.62 -1.76 -0.14 0.00 -1.01 0.00 0.00 66.70 63.17 1daa h VAL 44 Cb 1.33 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.52 1daa h VAL 44 CO 0.71 0.51 -0.45 0.78 -1.01 0.00 0.00 177.57 178.10 1daa h ASN 45 N 0.06 0.58 -0.34 3.17 2.35 -1.95 -1.90 115.58 117.55 1daa h ASN 45 Ca -0.00 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1daa h ASN 45 Cb 0.93 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1daa h ASN 45 CO 0.07 0.96 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.35 1daa h GLU 46 N 0.44 0.79 -0.14 0.81 3.07 -1.92 -1.68 114.58 115.94 1daa h GLU 46 Ca 0.03 -0.27 -0.20 0.00 -0.50 0.00 0.00 59.36 58.42 1daa h GLU 46 Cb 0.96 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1daa h GLU 46 CO 0.09 0.87 -0.71 0.45 -1.40 0.00 0.00 179.01 178.31 1daa h HIS 47 N 0.71 0.84 -0.52 4.33 3.86 -1.27 -2.13 115.15 120.96 1daa h HIS 47 Ca 0.12 -0.35 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 1daa h HIS 47 Cb 0.61 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1daa h HIS 47 CO 0.03 1.14 -0.04 0.82 0.86 0.00 0.00 177.93 180.75 1daa h ILE 48 N 0.44 1.26 -0.72 2.45 2.04 -1.27 -0.89 117.51 120.82 1daa h ILE 48 Ca -0.03 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1daa h ILE 48 Cb 1.30 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1daa h ILE 48 CO 0.14 0.40 0.19 0.44 0.00 0.00 0.00 178.15 179.32 1daa h ASP 49 N 0.84 1.06 0.68 1.72 3.32 -1.30 -1.83 116.42 120.91 1daa h ASP 49 Ca 0.15 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1daa h ASP 49 Cb 0.55 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1daa h ASP 49 CO 0.03 1.01 -0.53 -0.09 -1.72 0.00 0.00 179.24 177.94 1daa h ARG 50 N 1.08 0.00 -0.04 3.56 2.43 -0.85 -1.45 114.38 119.11 1daa h ARG 50 Ca 0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1daa h ARG 50 Cb 0.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1daa h ARG 50 CO -0.00 0.53 0.00 1.25 -1.51 0.00 0.00 179.97 180.24 1daa h LEU 51 N 0.00 0.07 -1.49 3.80 5.85 -0.83 -0.43 115.31 122.28 1daa h LEU 51 Ca -0.01 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1daa h LEU 51 Cb 1.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1daa h LEU 51 CO 0.07 0.36 -0.06 1.88 -0.34 0.00 0.00 178.44 180.35 1daa h TYR 52 N -0.22 0.26 -0.09 1.25 -1.99 -1.19 -1.00 116.97 114.00 1daa h TYR 52 Ca 0.01 -0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.50 1daa h TYR 52 Cb 0.32 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 38.98 1daa h TYR 52 CO 0.03 0.33 -0.84 0.00 -0.00 0.00 0.00 178.16 177.67 1daa h ALA 53 N 1.69 0.34 -0.53 3.88 0.00 -1.12 -1.25 119.26 122.29 1daa h ALA 53 Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1daa h ALA 53 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1daa h ALA 53 CO 0.01 0.72 0.06 0.77 0.00 0.00 0.00 179.25 180.81 1daa h SER 54 N 0.42 0.85 -0.71 0.00 0.02 -0.72 -2.51 113.55 110.91 1daa h SER 54 Ca -0.07 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1daa h SER 54 Cb 1.47 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1daa h SER 54 CO 0.16 0.91 0.26 0.00 -1.14 0.00 0.00 176.83 177.02 1daa h ALA 55 N 0.97 1.09 -0.21 3.77 0.00 -1.13 -2.49 119.26 121.26 1daa h ALA 55 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1daa h ALA 55 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1daa h ALA 55 CO 0.01 0.64 -0.26 0.93 0.00 0.00 0.00 179.25 180.57 1daa h GLU 56 N 1.06 0.39 0.00 0.00 3.07 -1.14 0.55 114.58 118.51 1daa h GLU 56 Ca 0.24 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1daa h GLU 56 Cb 0.25 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1daa h GLU 56 CO -0.01 0.63 -0.17 0.87 -1.40 0.00 0.00 179.01 178.93 1daa h LYS 57 N 0.35 0.00 -0.24 2.33 1.57 -0.99 -1.44 116.57 118.14 1daa h LYS 57 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1daa h LYS 57 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1daa h LYS 57 CO 0.05 0.17 -0.01 0.44 -0.57 0.00 0.00 179.45 179.52 1daa n ILE 58 N -3.66 2.28 -3.85 1.86 -5.35 -1.15 -5.01 119.36 104.48 1daa n ILE 58 Ca -0.01 -2.07 -0.30 0.00 -0.27 0.00 0.00 62.75 60.10 1daa n ILE 58 Cb 0.29 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 37.94 1daa n ILE 58 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1daa n ARG 59 N -0.73 -4.67 -3.32 6.28 1.74 -0.54 -5.00 116.66 110.42 1daa n ARG 59 Ca 0.23 0.54 -0.38 0.00 -0.77 0.00 0.00 57.85 57.47 1daa n ARG 59 Cb 0.89 -5.38 -0.06 0.00 -1.02 0.00 0.00 32.46 26.89 1daa n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1daa s ILE 60 N -3.22 5.19 -0.36 0.55 1.01 0.11 -5.00 121.20 119.48 1daa s ILE 60 Ca 0.63 0.94 -0.16 0.00 0.00 0.00 0.00 60.65 62.06 1daa s ILE 60 Cb -0.32 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 1daa s ILE 60 CO 0.77 0.32 0.40 -0.89 0.00 0.00 0.00 174.94 175.55 1daa s THR 61 N 0.65 5.13 -0.02 2.92 2.01 -1.26 -4.00 115.64 121.07 1daa s THR 61 Ca 0.26 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1daa s THR 61 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1daa s THR 61 CO 0.10 -0.17 1.29 -0.63 -0.69 0.00 0.00 174.62 174.52 1daa s ILE 62 N 2.11 3.98 -1.75 1.82 1.01 -1.26 -4.75 121.20 122.36 1daa s ILE 62 Ca 0.13 1.35 0.24 0.00 0.00 0.00 0.00 60.65 62.37 1daa s ILE 62 Cb -0.16 -3.87 0.57 0.00 0.01 0.00 0.00 42.46 39.01 1daa s ILE 62 CO 0.12 0.01 1.80 -0.81 0.00 0.00 0.00 174.94 176.06 1daa n PRO 63 N 5.16 0.57 -4.41 2.79 -0.04 -1.26 -4.81 135.00 133.01 1daa n PRO 63 Ca 0.12 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.37 1daa n PRO 63 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 1daa n PRO 63 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1daa s TYR 64 N -2.25 2.42 0.66 0.54 2.02 -1.26 -5.13 117.35 114.34 1daa s TYR 64 Ca 0.30 -0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 1daa s TYR 64 Cb 0.16 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1daa s TYR 64 CO 0.31 0.67 1.05 0.95 -1.57 0.00 0.00 175.55 176.96 1daa s THR 65 N -2.35 4.36 0.43 -0.71 -4.23 -1.26 -4.90 115.64 106.97 1daa s THR 65 Ca 0.29 0.76 0.09 0.00 -1.18 0.00 0.00 61.69 61.66 1daa s THR 65 Cb -0.06 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.40 1daa s THR 65 CO 0.16 -1.00 2.06 0.11 -0.54 0.00 0.00 174.62 175.41 1daa h LYS 66 N -0.51 0.45 -0.36 3.99 1.57 -1.98 -1.14 116.57 118.60 1daa h LYS 66 Ca -0.44 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1daa h LYS 66 Cb 1.20 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1daa h LYS 66 CO 0.60 0.30 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.91 1daa h ASP 67 N 0.46 1.00 -0.54 0.86 3.32 -1.99 0.32 116.42 119.85 1daa h ASP 67 Ca 0.15 -0.49 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1daa h ASP 67 Cb 0.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1daa h ASP 67 CO -0.04 1.28 -0.00 0.50 -1.72 0.00 0.00 179.24 179.27 1daa h LYS 68 N 0.74 0.99 -0.49 3.56 3.64 -1.85 -1.96 116.57 121.20 1daa h LYS 68 Ca 0.05 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1daa h LYS 68 Cb 1.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1daa h LYS 68 CO 0.10 0.98 0.30 0.35 -2.27 0.00 0.00 179.45 178.91 1daa h PHE 69 N 0.91 0.64 -0.58 1.91 3.04 -0.98 -1.36 116.94 120.52 1daa h PHE 69 Ca 0.17 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1daa h PHE 69 Cb 0.53 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1daa h PHE 69 CO 0.03 0.44 0.35 1.25 -2.02 0.00 0.00 178.31 178.37 1daa h HIS 70 N 0.66 0.77 -0.77 0.41 2.76 -0.73 -2.04 115.15 116.20 1daa h HIS 70 Ca 0.18 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1daa h HIS 70 Cb -0.02 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 1daa h HIS 70 CO -0.03 0.53 0.39 1.96 -1.30 0.00 0.00 177.93 179.48 1daa h GLN 71 N 0.78 1.10 -0.92 5.26 1.08 -0.92 -1.90 115.11 119.59 1daa h GLN 71 Ca 0.21 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1daa h GLN 71 Cb -0.02 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.17 1daa h GLN 71 CO -0.04 0.84 0.52 -0.07 -0.95 0.00 0.00 178.83 179.13 1daa h LEU 72 N 1.08 1.13 -0.69 1.46 3.38 -0.85 -0.71 115.31 120.12 1daa h LEU 72 Ca 0.27 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1daa h LEU 72 Cb 0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1daa h LEU 72 CO -0.04 0.89 0.22 -0.07 0.09 0.00 0.00 178.44 179.54 1daa h LEU 73 N 1.28 0.99 -0.24 1.67 3.38 -1.01 -1.49 115.31 119.89 1daa h LEU 73 Ca 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1daa h LEU 73 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1daa h LEU 73 CO -0.06 0.93 0.12 -0.74 0.09 0.00 0.00 178.44 178.79 1daa h HIS 74 N 1.00 0.34 -0.70 1.13 2.76 -0.90 -1.46 115.15 117.32 1daa h HIS 74 Ca 0.22 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1daa h HIS 74 Cb 0.28 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1daa h HIS 74 CO 0.02 0.31 0.36 0.93 -1.30 0.00 0.00 177.93 178.26 1daa h GLU 75 N 0.27 0.98 -0.51 5.26 5.08 -0.94 -2.26 114.58 122.47 1daa h GLU 75 Ca 0.08 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1daa h GLU 75 Cb 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1daa h GLU 75 CO -0.01 0.73 0.17 1.25 -1.00 0.00 0.00 179.01 180.15 1daa h LEU 76 N 0.98 0.74 -0.52 1.33 5.85 -0.84 0.15 115.31 123.00 1daa h LEU 76 Ca 0.25 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1daa h LEU 76 Cb 0.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1daa h LEU 76 CO -0.04 0.74 0.14 0.58 -0.34 0.00 0.00 178.44 179.52 1daa h VAL 77 N 0.70 1.24 0.00 1.05 2.07 -0.94 -2.35 116.25 118.01 1daa h VAL 77 Ca 0.17 -0.83 -0.17 0.00 0.82 0.00 0.00 66.70 66.68 1daa h VAL 77 Cb 0.26 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1daa h VAL 77 CO -0.01 0.30 -0.79 1.05 0.02 0.00 0.00 177.57 178.14 1daa h GLU 78 N 0.72 0.00 -0.40 1.57 4.11 -1.15 -1.00 114.58 118.43 1daa h GLU 78 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 1daa h GLU 78 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1daa h GLU 78 CO -0.00 0.79 -0.00 0.87 0.07 0.00 0.00 179.01 180.74 1daa h LYS 79 N 0.00 0.63 -0.00 1.06 1.79 -0.61 -2.80 116.57 116.64 1daa h LYS 79 Ca -0.01 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1daa h LYS 79 Cb 1.45 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1daa h LYS 79 CO 0.10 0.65 -0.40 0.09 -1.08 0.00 0.00 179.45 178.82 1daa n ASN 80 N -4.25 0.67 -3.75 0.86 4.13 -0.89 -4.89 115.26 107.13 1daa n ASN 80 Ca 0.02 -0.47 -0.24 0.00 1.68 0.00 0.00 54.58 55.57 1daa n ASN 80 Cb 0.27 0.19 0.04 0.00 -1.54 0.00 0.00 39.78 38.74 1daa n ASN 80 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1daa n GLU 81 N -1.19 -5.43 -2.47 3.52 1.02 -0.41 -4.92 120.64 110.76 1daa n GLU 81 Ca 0.08 0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 57.44 1daa n GLU 81 Cb 0.34 -5.37 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 1daa n GLU 81 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1daa s LEU 82 N -6.91 4.31 0.00 -4.62 2.96 -1.02 -4.99 118.68 108.40 1daa s LEU 82 Ca 0.27 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1daa s LEU 82 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1daa s LEU 82 CO 0.81 -0.54 0.00 -3.20 -1.32 0.00 0.00 176.35 172.10 1daa n ASN 83 N 4.80 0.00 -4.42 3.68 2.85 -1.26 -3.88 115.26 117.03 1daa n ASN 83 Ca 0.10 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.23 1daa n ASN 83 Cb 0.47 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.35 1daa n ASN 83 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1daa s THR 84 N 0.00 3.55 -0.86 -0.44 2.01 -1.26 -1.17 115.64 117.47 1daa s THR 84 Ca 0.00 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1daa s THR 84 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1daa s THR 84 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1daa n GLY 85 N 3.83 -0.71 3.38 4.40 0.00 -0.52 -0.52 105.19 115.05 1daa n GLY 85 Ca -0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1daa n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1daa s HIS 86 N -4.00 0.21 -0.11 1.61 -3.43 -0.24 -0.93 115.29 108.40 1daa s HIS 86 Ca 0.00 -0.57 -0.00 0.00 -0.80 0.00 0.00 55.06 53.69 1daa s HIS 86 Cb 0.00 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.21 1daa s HIS 86 CO 0.00 -0.77 -0.09 0.42 -2.00 0.00 0.00 174.74 172.31 1daa s ILE 87 N -3.93 3.50 -0.07 -5.38 1.01 -0.45 -1.17 121.20 114.72 1daa s ILE 87 Ca 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1daa s ILE 87 Cb 0.02 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1daa s ILE 87 CO -0.02 0.55 -0.14 -0.47 0.00 0.00 0.00 174.94 174.86 1daa s TYR 88 N -0.15 2.75 -0.13 3.97 6.14 -0.46 -1.29 117.35 128.17 1daa s TYR 88 Ca 0.01 -0.29 -0.14 0.00 0.64 0.00 0.00 57.07 57.29 1daa s TYR 88 Cb -0.13 -1.70 0.04 0.00 0.42 0.00 0.00 41.96 40.59 1daa s TYR 88 CO 0.03 0.08 0.39 -0.59 0.64 0.00 0.00 175.55 176.10 1daa s PHE 89 N -0.41 -0.41 0.08 4.97 -0.71 -0.64 -1.58 117.98 119.28 1daa s PHE 89 Ca 0.05 0.97 0.01 0.00 -1.04 0.00 0.00 56.93 56.92 1daa s PHE 89 Cb -0.12 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1daa s PHE 89 CO 0.02 -0.24 -0.05 1.14 -1.34 0.00 0.00 175.22 174.74 1daa s GLN 90 N -0.01 0.76 -0.05 1.99 -2.07 -0.21 -0.48 119.66 119.60 1daa s GLN 90 Ca -0.02 -1.30 0.03 0.00 -1.82 0.00 0.00 55.36 52.25 1daa s GLN 90 Cb -0.03 -0.08 0.01 0.00 -1.09 0.00 0.00 33.01 31.82 1daa s GLN 90 CO 0.01 -0.05 -0.11 0.08 -1.32 0.00 0.00 175.29 173.90 1daa s VAL 91 N -3.70 1.01 0.36 3.63 1.01 -0.19 -1.71 120.40 120.80 1daa s VAL 91 Ca 0.10 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1daa s VAL 91 Cb 0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 1daa s VAL 91 CO -0.06 0.31 -0.02 0.42 0.00 0.00 0.00 175.10 175.75 1daa s THR 92 N 0.41 2.36 0.28 3.92 -4.23 -0.06 -1.34 115.64 116.97 1daa s THR 92 Ca -0.08 -2.06 0.34 0.00 -1.18 0.00 0.00 61.69 58.71 1daa s THR 92 Cb -0.12 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 71.31 1daa s THR 92 CO 0.02 -0.16 2.06 -0.09 -0.54 0.00 0.00 174.62 175.91 1daa h ARG 93 N 1.87 0.00 0.00 3.99 2.43 -1.77 -2.02 114.38 118.87 1daa h ARG 93 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1daa h ARG 93 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1daa h ARG 93 CO 0.70 0.05 0.00 0.41 -1.51 0.00 0.00 179.97 179.62 1daa n GLY 94 N -0.30 0.85 3.65 2.80 0.00 -1.26 -3.81 105.19 107.12 1daa n GLY 94 Ca -0.01 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 1daa n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1daa s THR 95 N -0.94 5.26 -0.07 2.61 2.01 -1.26 -1.16 115.64 122.09 1daa s THR 95 Ca 0.00 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 1daa s THR 95 Cb 0.00 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 69.12 1daa s THR 95 CO 0.00 0.36 0.54 -0.55 -0.69 0.00 0.00 174.62 174.29 1daa s SER 96 N 0.98 -0.50 -0.09 3.53 0.15 -1.13 -4.92 113.70 111.72 1daa s SER 96 Ca 0.07 0.59 -0.38 0.00 0.70 0.00 0.00 55.95 56.92 1daa s SER 96 Cb -0.13 0.57 -0.16 0.00 -1.71 0.00 0.00 66.02 64.58 1daa s SER 96 CO 0.04 -0.49 1.54 -0.81 1.20 0.00 0.00 173.24 174.72 1daa n PRO 97 N 1.32 1.17 -1.72 5.44 -0.04 -1.26 -4.75 135.00 135.17 1daa n PRO 97 Ca -0.19 0.43 -0.61 0.00 -0.04 0.00 0.00 63.50 63.09 1daa n PRO 97 Cb 0.57 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 1daa n PRO 97 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1daa n ARG 98 N 3.96 0.74 -3.59 0.54 0.63 -1.26 -4.97 116.66 112.70 1daa n ARG 98 Ca 0.22 0.27 -0.13 0.00 -0.92 0.00 0.00 57.85 57.29 1daa n ARG 98 Cb 0.16 -1.89 -0.06 0.00 0.45 0.00 0.00 32.46 31.12 1daa n ARG 98 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1daa s ALA 99 N 3.20 -1.86 0.19 5.13 0.00 -1.26 -5.08 121.76 122.07 1daa s ALA 99 Ca 1.00 1.71 -0.08 0.00 0.00 0.00 0.00 51.96 54.60 1daa s ALA 99 Cb -1.22 -0.85 0.10 0.00 0.00 0.00 0.00 23.12 21.16 1daa s ALA 99 CO 0.71 -0.31 1.61 0.45 0.00 0.00 0.00 175.76 178.21 1daa h HIS 100 N 3.74 1.06 -4.30 0.00 3.86 -2.02 -3.45 115.15 114.04 1daa h HIS 100 Ca -0.26 -0.23 -0.51 0.00 -1.16 0.00 0.00 60.37 58.22 1daa h HIS 100 Cb 1.16 -0.26 0.08 0.00 1.06 0.00 0.00 27.41 29.45 1daa h HIS 100 CO 0.35 1.01 0.37 1.14 0.86 0.00 0.00 177.93 181.66 1daa s GLN 101 N -4.76 3.08 0.53 2.45 0.00 -1.26 -4.96 119.66 114.73 1daa s GLN 101 Ca -0.11 1.02 -0.22 0.00 -0.00 0.00 0.00 55.36 56.04 1daa s GLN 101 Cb 0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 33.01 31.08 1daa s GLN 101 CO 0.85 -0.99 1.39 -0.06 0.00 0.00 0.00 175.29 176.48 1daa s PHE 102 N -2.88 2.28 -0.50 9.60 0.08 -1.26 -4.84 117.98 120.46 1daa s PHE 102 Ca 0.59 1.33 -0.41 0.00 0.12 0.00 0.00 56.93 58.56 1daa s PHE 102 Cb -0.14 -3.86 -0.18 0.00 -0.57 0.00 0.00 43.02 38.27 1daa s PHE 102 CO 0.50 -3.01 2.19 -2.30 -0.10 0.00 0.00 175.22 172.49 1daa n PRO 103 N -0.87 0.21 0.32 0.24 -0.02 -1.26 -4.81 135.00 128.82 1daa n PRO 103 Ca 0.09 0.06 0.20 0.00 -2.02 0.00 0.00 63.50 61.83 1daa n PRO 103 Cb 0.44 -1.70 1.07 0.00 -0.02 0.00 0.00 33.50 33.29 1daa n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1daa h GLU 104 N 9.91 0.00 0.00 -0.52 4.81 -2.01 -3.41 114.58 123.36 1daa h GLU 104 Ca -0.13 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.86 1daa h GLU 104 Cb 1.39 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.83 1daa h GLU 104 CO 1.10 0.01 0.09 0.27 -0.73 0.00 0.00 179.01 179.75 1daa n ASN 105 N -3.24 0.58 -4.01 1.04 0.23 -1.26 -5.09 115.26 103.51 1daa n ASN 105 Ca -0.02 -1.53 -0.31 0.00 -0.53 0.00 0.00 54.58 52.19 1daa n ASN 105 Cb 0.12 -0.38 -0.15 0.00 -2.08 0.00 0.00 39.78 37.29 1daa n ASN 105 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1daa s THR 106 N -1.70 1.82 0.02 5.53 -1.32 -1.26 -5.09 115.64 113.64 1daa s THR 106 Ca 0.36 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1daa s THR 106 Cb -0.02 -1.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 1daa s THR 106 CO 0.24 0.03 0.09 -0.69 -2.21 0.00 0.00 174.62 172.08 1daa s VAL 107 N 1.28 4.74 0.08 5.08 1.01 -1.26 -5.11 120.40 126.23 1daa s VAL 107 Ca -0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1daa s VAL 107 Cb -0.18 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1daa s VAL 107 CO -0.07 0.29 0.62 -0.54 0.00 0.00 0.00 175.10 175.40 1daa s LYS 108 N -1.93 4.29 0.59 2.72 1.02 -1.26 -4.97 119.74 120.21 1daa s LYS 108 Ca 0.25 0.83 -0.20 0.00 0.02 0.00 0.00 55.97 56.87 1daa s LYS 108 Cb -0.12 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1daa s LYS 108 CO 0.17 0.59 1.34 -2.30 -0.92 0.00 0.00 175.35 174.23 1daa n PRO 109 N 1.82 1.47 -3.75 -1.68 -0.02 -1.25 -4.29 135.00 127.30 1daa n PRO 109 Ca -0.09 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 1daa n PRO 109 Cb 0.50 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 1daa n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1daa s VAL 110 N -1.32 5.27 -0.12 -1.45 1.01 -0.76 -4.85 120.40 118.17 1daa s VAL 110 Ca 0.76 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1daa s VAL 110 Cb -0.40 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1daa s VAL 110 CO 0.45 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 175.24 1daa s ILE 111 N 0.60 3.41 -0.03 2.22 1.01 -1.26 -0.88 121.20 126.26 1daa s ILE 111 Ca 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1daa s ILE 111 Cb -0.12 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1daa s ILE 111 CO 0.00 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.75 1daa s ILE 112 N 0.12 0.82 -0.06 2.92 -1.09 -0.69 -0.89 121.20 122.32 1daa s ILE 112 Ca -0.04 -0.37 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1daa s ILE 112 Cb -0.14 -0.73 0.02 0.00 -1.58 0.00 0.00 42.46 40.02 1daa s ILE 112 CO 0.04 0.26 0.21 -0.83 -1.23 0.00 0.00 174.94 173.39 1daa s GLY 113 N 0.23 -0.12 0.30 6.18 0.00 -0.86 -1.04 107.32 112.01 1daa s GLY 113 Ca -0.04 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 1daa s GLY 113 CO 0.01 0.34 0.63 -2.52 0.00 0.00 0.00 173.10 171.55 1daa s TYR 114 N -0.32 0.21 0.31 1.90 1.13 -0.61 -0.88 117.35 119.09 1daa s TYR 114 Ca -0.04 -0.66 0.10 0.00 -1.41 0.00 0.00 57.07 55.06 1daa s TYR 114 Cb -0.03 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1daa s TYR 114 CO 0.01 -1.22 -0.09 0.95 -2.51 0.00 0.00 175.55 172.69 1daa s THR 115 N -3.49 2.58 -0.14 -3.49 -4.23 -1.26 -1.36 115.64 104.26 1daa s THR 115 Ca 0.18 -2.16 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1daa s THR 115 Cb -0.03 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.26 1daa s THR 115 CO 0.10 -0.28 0.30 -0.75 -0.54 0.00 0.00 174.62 173.45 1daa s LYS 116 N -3.62 0.22 0.30 3.99 2.47 -0.31 -4.98 119.74 117.81 1daa s LYS 116 Ca 0.32 0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 55.16 1daa s LYS 116 Cb -0.02 -0.02 -0.11 0.00 -1.46 0.00 0.00 37.83 36.23 1daa s LYS 116 CO 0.17 -0.22 1.51 -1.21 0.16 0.00 0.00 175.35 175.76 1daa s GLU 117 N 1.92 4.18 -0.30 4.03 0.41 -1.26 -1.08 118.70 126.60 1daa s GLU 117 Ca -0.04 2.47 -0.09 0.00 -0.41 0.00 0.00 54.97 56.90 1daa s GLU 117 Cb -0.11 -3.04 0.19 0.00 -1.78 0.00 0.00 34.13 29.39 1daa s GLU 117 CO -0.10 -0.52 0.99 1.21 -0.49 0.00 0.00 175.26 176.36 1daa s ASN 118 N 0.25 -0.56 0.97 -0.19 3.04 0.32 -4.88 114.94 113.88 1daa s ASN 118 Ca 0.59 0.04 -0.11 0.00 0.04 0.00 0.00 52.86 53.42 1daa s ASN 118 Cb -0.45 1.31 0.17 0.00 -1.54 0.00 0.00 41.25 40.74 1daa s ASN 118 CO 0.50 -0.10 1.10 -2.16 -3.04 0.00 0.00 177.10 173.40 1daa s PRO 119 N 2.88 0.63 0.54 0.43 0.04 -1.26 -3.45 135.00 134.80 1daa s PRO 119 Ca 0.25 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1daa s PRO 119 Cb -0.02 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1daa s PRO 119 CO -0.23 -2.79 1.35 1.03 0.04 0.00 0.00 177.00 176.40 1daa s ARG 120 N -4.66 3.19 -1.41 4.56 0.52 -1.26 -4.88 118.95 115.01 1daa s ARG 120 Ca 0.66 2.22 -0.08 0.00 -0.52 0.00 0.00 55.73 58.00 1daa s ARG 120 Cb -0.22 -2.28 0.06 0.00 0.52 0.00 0.00 34.95 33.03 1daa s ARG 120 CO 0.59 -1.14 2.42 -0.35 0.02 0.00 0.00 175.30 176.84 1daa n PRO 121 N -0.97 3.95 -0.16 3.54 -0.04 -1.26 -4.80 135.00 135.26 1daa n PRO 121 Ca 0.10 -3.03 0.07 0.00 -0.04 0.00 0.00 63.50 60.59 1daa n PRO 121 Cb 0.45 -2.82 0.38 0.00 -0.04 0.00 0.00 33.50 31.47 1daa n PRO 121 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1daa h LEU 122 N 6.97 0.61 -0.84 1.53 3.38 -2.00 -1.59 115.31 123.38 1daa h LEU 122 Ca 0.67 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.56 1daa h LEU 122 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1daa h LEU 122 CO 1.64 0.40 -0.03 -0.08 0.09 0.00 0.00 178.44 180.46 1daa h GLU 123 N 0.70 0.84 -0.45 1.13 4.81 -2.00 -2.23 114.58 117.38 1daa h GLU 123 Ca 0.30 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1daa h GLU 123 Cb 0.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1daa h GLU 123 CO -0.09 0.86 -0.10 -0.91 -0.73 0.00 0.00 179.01 178.04 1daa h ASN 124 N 0.78 0.86 -0.57 1.04 2.35 -1.62 0.00 115.58 118.42 1daa h ASN 124 Ca 0.14 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 1daa h ASN 124 Cb 0.50 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1daa h ASN 124 CO 0.03 1.01 0.05 -0.07 -1.65 0.00 0.00 177.43 176.80 1daa h LEU 125 N 0.69 0.96 -0.02 1.61 3.38 -1.32 0.98 115.31 121.59 1daa h LEU 125 Ca 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1daa h LEU 125 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1daa h LEU 125 CO 0.04 0.99 -0.09 -0.33 0.09 0.00 0.00 178.44 179.15 1daa h GLU 126 N 0.93 0.09 0.01 1.13 5.08 -1.20 -3.39 114.58 117.23 1daa h GLU 126 Ca 0.18 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 1daa h GLU 126 Cb 0.47 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1daa h GLU 126 CO 0.02 0.73 -1.62 0.87 -1.00 0.00 0.00 179.01 178.01 1daa h LYS 127 N -0.52 0.01 0.00 2.33 1.79 -1.03 -3.46 116.57 115.69 1daa h LYS 127 Ca -0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1daa h LYS 127 Cb 0.74 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1daa h LYS 127 CO 0.02 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 1daa n GLY 128 N 1.54 -0.40 3.32 3.86 0.00 0.34 -4.75 105.19 109.09 1daa n GLY 128 Ca -0.15 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 1daa n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1daa s VAL 129 N -1.67 0.46 0.02 1.61 -7.23 0.09 -4.84 120.40 108.83 1daa s VAL 129 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1daa s VAL 129 Cb 0.00 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1daa s VAL 129 CO 0.00 0.00 0.20 -0.54 -0.31 0.00 0.00 175.10 174.45 1daa s LYS 130 N -3.98 3.45 0.17 4.82 1.02 -1.26 -0.95 119.74 123.02 1daa s LYS 130 Ca 0.37 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1daa s LYS 130 Cb 0.07 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1daa s LYS 130 CO 0.15 0.65 0.04 0.00 -0.92 0.00 0.00 175.35 175.27 1daa s ALA 131 N -1.38 1.24 0.02 5.17 0.00 -0.12 -1.18 121.76 125.50 1daa s ALA 131 Ca 0.30 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1daa s ALA 131 Cb -0.13 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1daa s ALA 131 CO 0.21 -0.42 -0.04 -0.08 0.00 0.00 0.00 175.76 175.43 1daa s THR 132 N -3.84 0.27 0.03 0.00 -1.32 -1.11 -1.60 115.64 108.07 1daa s THR 132 Ca 0.27 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.89 1daa s THR 132 Cb 0.07 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 1daa s THR 132 CO 0.05 -0.21 0.89 -0.36 -2.21 0.00 0.00 174.62 172.78 1daa s PHE 133 N -0.79 3.70 -0.02 9.09 0.08 -1.26 -0.74 117.98 128.04 1daa s PHE 133 Ca -0.07 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.61 1daa s PHE 133 Cb -0.06 -2.99 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1daa s PHE 133 CO -0.00 0.12 -0.06 0.08 -0.10 0.00 0.00 175.22 175.26 1daa s VAL 134 N 0.49 0.59 0.32 -0.44 1.01 -0.56 -4.89 120.40 116.91 1daa s VAL 134 Ca 0.46 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 1daa s VAL 134 Cb -0.21 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 1daa s VAL 134 CO 0.26 0.20 1.17 -0.70 0.00 0.00 0.00 175.10 176.02 1daa s GLU 135 N 0.27 4.43 -0.24 2.72 2.12 -1.26 -2.36 118.70 124.38 1daa s GLU 135 Ca -0.03 1.91 -0.24 0.00 0.36 0.00 0.00 54.97 56.96 1daa s GLU 135 Cb -0.08 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1daa s GLU 135 CO 0.00 -0.02 0.82 0.34 -0.54 0.00 0.00 175.26 175.86 1daa s ASP 136 N -0.85 6.82 -0.05 -1.70 -1.08 -0.25 -4.78 116.67 114.79 1daa s ASP 136 Ca 0.49 1.02 0.08 0.00 -0.52 0.00 0.00 52.55 53.62 1daa s ASP 136 Cb -0.33 -2.43 0.16 0.00 -1.46 0.00 0.00 42.92 38.85 1daa s ASP 136 CO 0.43 -0.50 1.10 2.30 0.52 0.00 0.00 175.17 179.03 1daa n ILE 137 N 5.21 1.33 -1.55 4.11 -5.35 -1.26 -4.82 119.36 117.04 1daa n ILE 137 Ca 0.05 -1.41 -0.29 0.00 -0.27 0.00 0.00 62.75 60.83 1daa n ILE 137 Cb 0.48 0.25 0.16 0.00 -1.74 0.00 0.00 39.64 38.78 1daa n ILE 137 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1daa s ARG 138 N -1.64 0.65 1.13 6.28 0.52 -1.26 -4.99 118.95 119.63 1daa s ARG 138 Ca 0.15 0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 55.28 1daa s ARG 138 Cb 0.12 -1.80 0.25 0.00 0.52 0.00 0.00 34.95 34.03 1daa s ARG 138 CO 0.03 -2.49 1.09 1.67 0.02 0.00 0.00 175.30 175.63 1daa s TRP 139 N -3.36 1.18 -2.17 -0.53 1.48 -1.26 -4.95 118.94 109.33 1daa s TRP 139 Ca 0.67 0.73 0.17 0.00 -1.06 0.00 0.00 56.10 56.62 1daa s TRP 139 Cb -0.12 -3.34 0.57 0.00 -1.16 0.00 0.00 33.47 29.43 1daa s TRP 139 CO 0.54 -3.52 1.43 1.28 -4.06 0.00 0.00 176.95 172.62 1daa n LEU 140 N -4.57 1.90 -2.85 -4.66 4.77 -1.26 -4.09 117.00 106.24 1daa n LEU 140 Ca 0.09 -0.86 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 1daa n LEU 140 Cb 0.58 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1daa n LEU 140 CO 0.51 0.43 0.37 0.54 -1.33 0.00 0.00 177.39 177.92 1daa n ARG 141 N 0.49 3.49 0.00 3.23 5.12 -1.26 -4.68 116.66 123.06 1daa n ARG 141 Ca 0.15 -4.65 0.07 0.00 -1.93 0.00 0.00 57.85 51.49 1daa n ARG 141 Cb 0.34 -2.27 0.30 0.00 -1.16 0.00 0.00 32.46 29.67 1daa n ARG 141 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1daa n ASP 143 N -1.52 0.61 -4.70 0.00 5.75 -1.20 -3.14 116.55 112.36 1daa n ASP 143 Ca 0.03 0.63 -0.37 0.00 -0.01 0.00 0.00 54.79 55.07 1daa n ASP 143 Cb 0.16 -0.77 -0.07 0.00 -1.03 0.00 0.00 41.12 39.41 1daa n ASP 143 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1daa s ILE 144 N -3.24 5.24 -1.25 2.12 1.01 -1.04 -4.75 121.20 119.29 1daa s ILE 144 Ca 0.06 0.65 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 1daa s ILE 144 Cb 0.10 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 39.00 1daa s ILE 144 CO 0.41 0.31 1.57 -0.75 0.00 0.00 0.00 174.94 176.48 1daa s LYS 145 N 0.92 4.05 0.47 2.79 2.20 -1.26 -4.98 119.74 123.93 1daa s LYS 145 Ca 0.18 -2.34 0.06 0.00 -0.36 0.00 0.00 55.97 53.52 1daa s LYS 145 Cb -0.14 -5.27 0.02 0.00 -1.51 0.00 0.00 37.83 30.93 1daa s LYS 145 CO 0.07 -1.98 0.64 -1.54 -0.36 0.00 0.00 175.35 172.18 1daa s SER 146 N 3.43 5.50 0.00 1.43 1.04 -1.26 -2.13 113.70 121.71 1daa s SER 146 Ca 0.48 -0.35 0.19 0.00 0.48 0.00 0.00 55.95 56.74 1daa s SER 146 Cb 0.00 -0.63 1.14 0.00 0.10 0.00 0.00 66.02 66.63 1daa s SER 146 CO 0.04 -0.91 1.71 0.18 0.98 0.00 0.00 173.24 175.23 1daa n LEU 147 N -2.01 0.00 -4.49 2.42 4.77 -0.84 -4.53 117.00 112.31 1daa n LEU 147 Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1daa n LEU 147 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1daa n LEU 147 CO 0.41 0.00 1.41 0.20 -1.33 0.00 0.00 177.39 178.08 1daa s ASN 148 N -1.63 6.86 -0.14 -1.43 0.02 -1.26 -4.80 114.94 112.57 1daa s ASN 148 Ca 0.29 -2.49 0.15 0.00 -1.02 0.00 0.00 52.86 49.79 1daa s ASN 148 Cb 0.13 -2.45 0.44 0.00 0.02 0.00 0.00 41.25 39.39 1daa s ASN 148 CO 0.22 -0.99 1.34 0.18 0.02 0.00 0.00 177.10 177.87 1daa n LEU 149 N 6.74 3.42 -0.02 0.60 4.77 -1.26 -4.75 117.00 126.49 1daa n LEU 149 Ca 0.35 -2.83 -0.07 0.00 -0.03 0.00 0.00 56.01 53.44 1daa n LEU 149 Cb 0.46 -0.46 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1daa n LEU 149 CO 0.62 0.68 0.63 0.25 -1.33 0.00 0.00 177.39 178.25 1daa h LEU 150 N 1.48 0.62 -1.08 2.23 5.85 -1.99 -1.16 115.31 121.26 1daa h LEU 150 Ca 0.00 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1daa h LEU 150 Cb 1.23 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1daa h LEU 150 CO 0.14 0.92 0.62 1.23 -0.34 0.00 0.00 178.44 181.02 1daa h GLY 151 N 1.03 1.33 1.54 3.75 0.00 -1.94 -2.11 103.07 106.67 1daa h GLY 151 Ca 0.05 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1daa h GLY 151 CO 0.07 0.46 -0.62 0.00 0.00 0.00 0.00 176.54 176.45 1daa h ALA 152 N 1.43 0.68 -0.37 3.60 0.00 -1.80 -1.62 119.26 121.17 1daa h ALA 152 Ca 0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1daa h ALA 152 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1daa h ALA 152 CO -0.09 0.71 -0.40 -0.39 0.00 0.00 0.00 179.25 179.09 1daa h VAL 153 N 0.35 1.27 -0.34 0.00 -1.51 -0.78 -1.49 116.25 113.75 1daa h VAL 153 Ca -0.01 -1.57 -0.02 0.00 -1.23 0.00 0.00 66.70 63.87 1daa h VAL 153 Cb 1.17 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 1daa h VAL 153 CO 0.11 0.52 0.15 -0.07 -1.23 0.00 0.00 177.57 177.05 1daa h LEU 154 N 0.75 0.47 -0.72 4.19 3.38 -1.34 0.17 115.31 122.21 1daa h LEU 154 Ca 0.06 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1daa h LEU 154 Cb 0.99 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1daa h LEU 154 CO 0.10 0.49 0.44 0.00 0.09 0.00 0.00 178.44 179.56 1daa h ALA 155 N 0.99 0.95 -0.29 1.53 0.00 -1.20 -2.02 119.26 119.22 1daa h ALA 155 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1daa h ALA 155 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1daa h ALA 155 CO -0.01 0.20 -0.33 -0.22 0.00 0.00 0.00 179.25 178.89 1daa h LYS 156 N 0.85 0.63 -0.64 0.00 1.63 -0.94 -1.81 116.57 116.29 1daa h LYS 156 Ca 0.30 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1daa h LYS 156 Cb 0.07 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1daa h LYS 156 CO -0.13 0.87 0.26 0.37 -3.45 0.00 0.00 179.45 177.38 1daa h GLN 157 N 0.53 0.95 -0.80 1.90 5.75 -0.68 -1.56 115.11 121.20 1daa h GLN 157 Ca 0.06 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1daa h GLN 157 Cb 0.82 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 1daa h GLN 157 CO 0.07 0.79 0.44 1.49 -2.65 0.00 0.00 178.83 178.97 1daa h GLU 158 N 0.89 1.11 -0.27 1.69 4.81 -1.03 -1.73 114.58 120.07 1daa h GLU 158 Ca 0.21 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1daa h GLU 158 Cb 0.19 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1daa h GLU 158 CO -0.02 0.82 0.13 0.00 -0.73 0.00 0.00 179.01 179.21 1daa h ALA 159 N 1.23 0.34 -0.42 2.92 0.00 -1.19 -2.89 119.26 119.26 1daa h ALA 159 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1daa h ALA 159 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1daa h ALA 159 CO -0.05 -0.10 0.25 1.25 0.00 0.00 0.00 179.25 180.61 1daa h HIS 160 N 0.30 0.54 0.00 0.00 -0.00 -0.95 -1.13 115.15 113.91 1daa h HIS 160 Ca 0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 1daa h HIS 160 Cb 0.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1daa h HIS 160 CO -0.02 0.36 -0.26 0.93 -0.00 0.00 0.00 177.93 178.94 1daa h GLU 161 N 0.57 0.00 -0.02 5.26 5.08 -1.14 -2.49 114.58 121.84 1daa h GLU 161 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1daa h GLU 161 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1daa h GLU 161 CO -0.03 0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 1daa n LYS 162 N -3.70 1.71 -0.84 2.33 5.02 -0.64 -4.93 118.16 117.10 1daa n LYS 162 Ca -0.01 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 1daa n LYS 162 Cb 0.37 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1daa n LYS 162 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1daa n GLY 163 N 1.19 0.54 3.90 0.72 0.00 -0.94 -5.06 105.19 105.54 1daa n GLY 163 Ca 0.19 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1daa n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1daa h TYR 165 N 2.30 0.34 -3.54 0.00 3.20 -1.42 -3.29 116.97 114.56 1daa h TYR 165 Ca -0.47 -0.25 -0.14 0.00 3.14 0.00 0.00 58.73 61.01 1daa h TYR 165 Cb 1.18 -0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.23 1daa h TYR 165 CO 0.59 1.23 -0.49 -2.00 -1.64 0.00 0.00 178.16 175.86 1daa s GLU 166 N -2.65 0.51 -0.19 1.82 2.56 -1.25 -4.89 118.70 114.61 1daa s GLU 166 Ca -0.05 -0.45 -0.15 0.00 0.00 0.00 0.00 54.97 54.32 1daa s GLU 166 Cb 0.08 0.21 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 1daa s GLU 166 CO 0.86 -0.12 0.34 0.00 -0.56 0.00 0.00 175.26 175.78 1daa s ALA 167 N -1.59 3.57 -0.31 6.30 0.00 -1.26 -2.75 121.76 125.72 1daa s ALA 167 Ca -0.13 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1daa s ALA 167 Cb -0.07 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1daa s ALA 167 CO 0.01 -0.18 0.40 0.42 0.00 0.00 0.00 175.76 176.41 1daa s ILE 168 N 1.04 5.14 0.30 0.00 1.01 0.08 -2.30 121.20 126.48 1daa s ILE 168 Ca 0.17 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 61.01 1daa s ILE 168 Cb -0.14 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1daa s ILE 168 CO 0.07 0.01 0.77 -0.76 0.00 0.00 0.00 174.94 175.03 1daa s LEU 169 N 2.12 4.18 -0.03 2.97 1.43 0.37 -1.50 118.68 128.22 1daa s LEU 169 Ca 0.15 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1daa s LEU 169 Cb -0.16 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.12 1daa s LEU 169 CO 0.11 -0.12 0.11 -1.38 0.23 0.00 0.00 176.35 175.30 1daa s HIS 170 N -1.80 -0.05 -0.06 0.29 -3.43 -1.00 -1.10 115.29 108.14 1daa s HIS 170 Ca 0.51 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.88 1daa s HIS 170 Cb -0.13 -0.00 0.03 0.00 -1.43 0.00 0.00 32.58 31.04 1daa s HIS 170 CO 0.19 -0.13 -0.01 0.50 -2.00 0.00 0.00 174.74 173.29 1daa s ARG 171 N -0.44 0.69 -1.28 -0.38 3.52 -0.47 -1.09 118.95 119.50 1daa s ARG 171 Ca -0.05 0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1daa s ARG 171 Cb -0.03 -0.94 0.01 0.00 -1.56 0.00 0.00 34.95 32.43 1daa s ARG 171 CO 0.00 -0.24 1.00 -1.71 -0.81 0.00 0.00 175.30 173.55 1daa n ASN 172 N 4.80 -3.26 0.00 -2.12 4.05 -1.26 -1.91 115.26 115.56 1daa n ASN 172 Ca -0.13 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.26 1daa n ASN 172 Cb 0.50 -4.86 0.00 0.00 1.23 0.00 0.00 39.78 36.65 1daa n ASN 172 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1daa n ASN 173 N -3.07 -1.91 -4.60 1.20 4.13 -1.26 -4.97 115.26 104.78 1daa n ASN 173 Ca -0.19 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.73 1daa n ASN 173 Cb 0.63 -2.38 -0.10 0.00 -1.54 0.00 0.00 39.78 36.39 1daa n ASN 173 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1daa s THR 174 N -1.41 4.56 0.13 3.41 2.01 -0.80 -2.14 115.64 121.40 1daa s THR 174 Ca 0.00 -0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 1daa s THR 174 Cb 0.00 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 1daa s THR 174 CO 0.00 0.48 1.52 -0.69 -0.69 0.00 0.00 174.62 175.24 1daa s VAL 175 N 0.31 2.94 0.00 3.82 1.01 -0.44 -1.36 120.40 126.67 1daa s VAL 175 Ca 0.02 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1daa s VAL 175 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1daa s VAL 175 CO 0.01 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.50 1daa n THR 176 N 4.13 0.00 -3.79 3.92 -2.24 -0.25 -4.65 114.28 111.40 1daa n THR 176 Ca 0.13 0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1daa n THR 176 Cb 0.40 -1.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.33 1daa n THR 176 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1daa n GLU 177 N -2.30 0.82 -2.53 -0.78 0.28 -1.25 -4.60 120.64 110.27 1daa n GLU 177 Ca 0.00 -2.07 -0.23 0.00 -0.16 0.00 0.00 57.16 54.70 1daa n GLU 177 Cb 0.00 2.33 0.06 0.00 1.43 0.00 0.00 31.44 35.26 1daa n GLU 177 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1daa s GLY 178 N -2.79 1.78 0.57 -1.84 0.00 0.37 -0.47 107.32 104.94 1daa s GLY 178 Ca 0.18 -1.35 0.32 0.00 0.00 0.00 0.00 44.72 43.87 1daa s GLY 178 CO 0.13 -0.97 2.15 1.48 0.00 0.00 0.00 173.10 175.89 1daa h SER 179 N -0.23 0.00 -0.19 1.64 4.64 -1.81 -3.14 113.55 114.46 1daa h SER 179 Ca -0.41 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.71 1daa h SER 179 Cb 1.29 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.07 1daa h SER 179 CO 0.50 0.06 -0.81 -1.54 -0.87 0.00 0.00 176.83 174.18 1daa n SER 180 N -3.46 0.45 -3.79 4.97 3.41 -1.26 -4.84 113.62 109.10 1daa n SER 180 Ca -0.02 -2.06 -0.09 0.00 -0.26 0.00 0.00 58.87 56.44 1daa n SER 180 Cb 0.19 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1daa n SER 180 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1daa s SER 181 N -2.50 -0.27 0.26 4.04 1.04 -1.19 -4.77 113.70 110.32 1daa s SER 181 Ca 0.21 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1daa s SER 181 Cb 0.33 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 1daa s SER 181 CO -0.08 -1.17 0.44 0.20 0.98 0.00 0.00 173.24 173.61 1daa s ASN 182 N -2.90 6.35 0.01 7.02 0.01 -0.45 -0.48 114.94 124.49 1daa s ASN 182 Ca 0.11 0.37 0.08 0.00 -0.71 0.00 0.00 52.86 52.72 1daa s ASN 182 Cb -0.03 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 1daa s ASN 182 CO 0.02 -0.13 -0.26 -0.69 -1.51 0.00 0.00 177.10 174.53 1daa s VAL 183 N -2.04 2.14 -0.00 1.60 1.01 -1.26 -1.38 120.40 120.47 1daa s VAL 183 Ca 0.38 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1daa s VAL 183 Cb -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1daa s VAL 183 CO 0.31 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.45 1daa s PHE 184 N -0.70 0.83 0.09 5.22 0.40 -0.02 -4.41 117.98 119.39 1daa s PHE 184 Ca 0.11 -0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.35 1daa s PHE 184 Cb -0.10 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 1daa s PHE 184 CO 0.00 -0.01 -0.24 0.20 0.70 0.00 0.00 175.22 175.87 1daa s GLY 185 N -0.36 1.39 -0.13 4.36 0.00 -0.37 -1.50 107.32 110.71 1daa s GLY 185 Ca 0.03 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.46 1daa s GLY 185 CO -0.00 -1.27 -0.20 -0.42 0.00 0.00 0.00 173.10 171.21 1daa s ILE 186 N -1.00 1.91 -0.03 0.90 1.01 -0.36 -0.71 121.20 122.92 1daa s ILE 186 Ca 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1daa s ILE 186 Cb -0.10 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.69 1daa s ILE 186 CO 0.04 0.52 -0.02 -0.75 0.00 0.00 0.00 174.94 174.74 1daa s LYS 187 N 0.88 0.50 -1.59 2.79 2.20 -0.40 -1.50 119.74 122.63 1daa s LYS 187 Ca -0.06 0.00 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 1daa s LYS 187 Cb -0.15 -0.61 0.10 0.00 -1.51 0.00 0.00 37.83 35.67 1daa s LYS 187 CO -0.02 -0.11 0.80 -0.25 -0.36 0.00 0.00 175.35 175.41 1daa n ASP 188 N 4.06 -3.30 -0.06 1.43 8.00 -1.26 -1.29 116.55 124.13 1daa n ASP 188 Ca -0.26 -0.92 -0.01 0.00 0.71 0.00 0.00 54.79 54.31 1daa n ASP 188 Cb 0.51 -3.24 -0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1daa n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1daa n GLY 189 N -1.59 0.48 3.44 0.44 0.00 -1.26 -5.04 105.19 101.67 1daa n GLY 189 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1daa n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1daa s ILE 190 N -1.97 3.06 -0.18 -0.61 1.01 -0.41 -4.38 121.20 117.72 1daa s ILE 190 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1daa s ILE 190 Cb 0.00 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1daa s ILE 190 CO 0.00 0.57 0.52 -0.22 0.00 0.00 0.00 174.94 175.81 1daa s LEU 191 N -0.40 4.18 -0.03 2.97 2.96 -0.09 -1.27 118.68 126.99 1daa s LEU 191 Ca 0.04 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1daa s LEU 191 Cb -0.12 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 1daa s LEU 191 CO 0.02 -0.15 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.34 1daa s TYR 192 N 1.43 2.38 -0.02 5.38 2.02 0.11 0.09 117.35 128.75 1daa s TYR 192 Ca 0.25 -0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 1daa s TYR 192 Cb -0.15 -1.54 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1daa s TYR 192 CO 0.10 -0.09 0.57 -0.08 -1.57 0.00 0.00 175.55 174.48 1daa s THR 193 N -0.47 0.02 0.29 -0.71 -1.32 -1.04 -1.24 115.64 111.17 1daa s THR 193 Ca 0.06 -0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 60.09 1daa s THR 193 Cb -0.11 -0.91 -0.10 0.00 -1.51 0.00 0.00 72.50 69.87 1daa s THR 193 CO 0.01 -0.08 1.37 -2.28 -2.21 0.00 0.00 174.62 171.42 1daa s HIS 194 N -1.52 3.02 0.56 9.09 2.46 -1.26 -1.54 115.29 126.10 1daa s HIS 194 Ca -0.10 1.23 -0.21 0.00 0.47 0.00 0.00 55.06 56.45 1daa s HIS 194 Cb -0.01 -3.75 -0.05 0.00 -0.13 0.00 0.00 32.58 28.64 1daa s HIS 194 CO 0.06 -2.25 1.22 -0.35 -2.47 0.00 0.00 174.74 170.95 1daa n PRO 195 N 1.51 1.38 -2.69 2.88 -0.04 -1.26 -4.87 135.00 131.91 1daa n PRO 195 Ca 0.03 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1daa n PRO 195 Cb 0.41 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 1daa n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1daa s ALA 196 N -1.36 2.94 0.00 0.55 0.00 -1.26 -4.75 121.76 117.88 1daa s ALA 196 Ca 0.74 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1daa s ALA 196 Cb -0.42 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.34 1daa s ALA 196 CO 0.48 -3.39 0.00 0.27 0.00 0.00 0.00 175.76 173.12 1daa n ASN 197 N 8.09 0.00 -0.04 0.00 2.04 -1.26 -5.01 115.26 119.08 1daa n ASN 197 Ca 0.29 0.00 0.15 0.00 -0.44 0.00 0.00 54.58 54.58 1daa n ASN 197 Cb 0.50 0.00 0.75 0.00 -2.53 0.00 0.00 39.78 38.50 1daa n ASN 197 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1daa n ASN 198 N 0.00 0.14 0.06 0.53 6.94 -1.26 -3.68 115.26 117.99 1daa n ASN 198 Ca 0.00 -0.40 0.12 0.00 -0.02 0.00 0.00 54.58 54.28 1daa n ASN 198 Cb 0.00 -0.18 0.22 0.00 -2.36 0.00 0.00 39.78 37.46 1daa n ASN 198 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1daa n MET 199 N -1.14 0.25 -4.11 -3.83 2.81 -1.26 -1.82 117.12 108.02 1daa n MET 199 Ca 0.16 0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 56.05 1daa n MET 199 Cb 0.23 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 30.97 1daa n MET 199 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1daa s ILE 200 N -3.14 0.13 -0.07 2.02 -4.36 -1.24 -4.80 121.20 109.74 1daa s ILE 200 Ca 0.07 -1.83 -0.21 0.00 -0.26 0.00 0.00 60.65 58.43 1daa s ILE 200 Cb 0.14 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 1daa s ILE 200 CO 0.70 -0.61 0.59 -0.22 0.24 0.00 0.00 174.94 175.65 1daa s LEU 201 N -3.00 4.33 -1.01 0.37 2.96 -1.19 -3.21 118.68 117.93 1daa s LEU 201 Ca 0.18 1.05 -0.23 0.00 -0.22 0.00 0.00 54.13 54.92 1daa s LEU 201 Cb 0.07 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.89 1daa s LEU 201 CO -0.02 -0.01 1.59 -0.75 -1.32 0.00 0.00 176.35 175.83 1daa s LYS 202 N 0.45 3.36 0.32 1.98 2.20 -1.26 -4.95 119.74 121.84 1daa s LYS 202 Ca 0.32 -0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 1daa s LYS 202 Cb -0.17 -5.30 -0.11 0.00 -1.51 0.00 0.00 37.83 30.74 1daa s LYS 202 CO 0.15 -2.51 1.56 0.20 -0.36 0.00 0.00 175.35 174.40 1daa s GLY 203 N 5.66 2.37 0.27 5.54 0.00 -1.26 -4.95 107.32 114.95 1daa s GLY 203 Ca 0.52 1.58 -0.01 0.00 0.00 0.00 0.00 44.72 46.81 1daa s GLY 203 CO -0.07 2.47 1.76 -2.22 0.00 0.00 0.00 173.10 175.04 1daa h ILE 204 N 3.26 1.24 -0.30 0.90 2.04 -1.98 -2.49 117.51 120.18 1daa h ILE 204 Ca -0.48 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 1daa h ILE 204 Cb 1.23 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1daa h ILE 204 CO 0.75 0.35 -0.18 0.74 0.00 0.00 0.00 178.15 179.80 1daa h THR 205 N 0.67 1.25 -0.51 -0.27 2.02 -1.92 -1.84 112.91 112.31 1daa h THR 205 Ca 0.13 -1.17 0.09 0.00 0.77 0.00 0.00 66.41 66.23 1daa h THR 205 Cb 0.47 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1daa h THR 205 CO 0.02 0.38 0.11 -0.09 0.37 0.00 0.00 175.52 176.31 1daa h ARG 206 N 0.49 0.24 -0.03 6.66 2.43 -1.81 0.73 114.38 123.08 1daa h ARG 206 Ca 0.08 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1daa h ARG 206 Cb 0.60 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1daa h ARG 206 CO 0.04 0.16 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.53 1daa h ASP 207 N 0.25 0.18 -0.09 -3.80 3.32 -1.25 -1.63 116.42 113.40 1daa h ASP 207 Ca 0.26 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1daa h ASP 207 Cb 0.35 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1daa h ASP 207 CO -0.33 0.81 -0.29 0.58 -1.72 0.00 0.00 179.24 178.29 1daa h VAL 208 N 0.10 1.28 -0.15 -1.35 2.07 -0.80 -2.33 116.25 115.07 1daa h VAL 208 Ca -0.02 -1.37 -0.20 0.00 0.82 0.00 0.00 66.70 65.93 1daa h VAL 208 Cb 1.23 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1daa h VAL 208 CO 0.10 0.44 -0.71 0.58 0.02 0.00 0.00 177.57 178.00 1daa h VAL 209 N 0.48 1.31 -0.91 2.57 2.07 -0.70 -1.17 116.25 119.90 1daa h VAL 209 Ca 0.06 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 1daa h VAL 209 Cb 0.75 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1daa h VAL 209 CO 0.06 0.62 0.52 0.40 0.02 0.00 0.00 177.57 179.18 1daa h ILE 210 N 0.46 1.26 -0.60 4.57 2.04 -1.25 -1.28 117.51 122.71 1daa h ILE 210 Ca -0.03 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1daa h ILE 210 Cb 1.31 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1daa h ILE 210 CO 0.14 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.79 1daa h ALA 211 N 1.31 0.78 -0.78 1.87 0.00 -1.13 -1.76 119.26 119.55 1daa h ALA 211 Ca 0.32 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1daa h ALA 211 Cb -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1daa h ALA 211 CO -0.06 0.41 0.44 0.00 0.00 0.00 0.00 179.25 180.04 1daa h ALA 213 N 1.43 1.17 -0.65 0.00 0.00 -0.91 -2.66 119.26 117.64 1daa h ALA 213 Ca 0.37 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1daa h ALA 213 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1daa h ALA 213 CO -0.23 0.59 0.07 -0.91 0.00 0.00 0.00 179.25 178.76 1daa h ASN 214 N 0.95 1.07 0.37 0.00 2.35 -0.89 0.57 115.58 120.00 1daa h ASN 214 Ca 0.22 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1daa h ASN 214 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1daa h ASN 214 CO -0.01 1.08 -0.34 -0.33 -1.65 0.00 0.00 177.43 176.18 1daa h GLU 215 N 1.02 0.00 -0.46 0.81 5.08 -1.14 -2.74 114.58 117.16 1daa h GLU 215 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1daa h GLU 215 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1daa h GLU 215 CO 0.02 0.34 0.00 0.44 -1.00 0.00 0.00 179.01 178.81 1daa n ILE 216 N -4.07 1.95 -2.95 3.13 -5.35 -1.03 -4.98 119.36 106.06 1daa n ILE 216 Ca -0.02 -1.41 -0.22 0.00 -0.27 0.00 0.00 62.75 60.83 1daa n ILE 216 Cb 0.38 0.02 0.03 0.00 -1.74 0.00 0.00 39.64 38.34 1daa n ILE 216 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1daa n ASN 217 N 0.42 -6.11 -4.65 7.28 3.02 -0.95 -4.99 115.26 109.29 1daa n ASN 217 Ca 0.22 -0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.12 1daa n ASN 217 Cb 0.85 -4.94 -0.08 0.00 -0.61 0.00 0.00 39.78 35.00 1daa n ASN 217 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1daa s MET 218 N -5.63 4.12 0.24 3.52 -2.45 0.15 -5.03 119.30 114.22 1daa s MET 218 Ca 0.27 0.20 -0.31 0.00 -1.25 0.00 0.00 55.69 54.60 1daa s MET 218 Cb -0.12 -3.59 -0.13 0.00 1.25 0.00 0.00 34.83 32.25 1daa s MET 218 CO 0.34 -0.16 1.52 -2.30 1.05 0.00 0.00 175.02 175.48 1daa n PRO 219 N 4.88 2.34 -3.92 4.11 -0.02 -1.26 -4.32 135.00 136.81 1daa n PRO 219 Ca -0.07 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1daa n PRO 219 Cb 0.51 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1daa n PRO 219 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1daa s VAL 220 N 0.21 3.22 -0.25 -1.45 1.01 -1.26 -0.91 120.40 120.96 1daa s VAL 220 Ca 0.69 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1daa s VAL 220 Cb -0.59 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1daa s VAL 220 CO 0.46 0.32 -0.02 -0.54 0.00 0.00 0.00 175.10 175.32 1daa s LYS 221 N 1.43 3.03 -1.27 2.72 1.02 0.11 -4.97 119.74 121.82 1daa s LYS 221 Ca 0.04 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 1daa s LYS 221 Cb -0.15 -3.09 0.14 0.00 -0.52 0.00 0.00 37.83 34.21 1daa s LYS 221 CO -0.04 -0.36 1.65 0.39 -0.92 0.00 0.00 175.35 176.07 1daa n GLU 222 N 4.75 3.33 -4.55 1.68 1.02 -1.26 -2.51 120.64 123.11 1daa n GLU 222 Ca -0.16 -3.56 -0.22 0.00 -0.02 0.00 0.00 57.16 53.20 1daa n GLU 222 Cb 0.48 -3.16 -0.15 0.00 -0.02 0.00 0.00 31.44 28.59 1daa n GLU 222 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1daa s ILE 223 N 2.16 1.00 0.40 -3.67 1.01 -0.59 -4.25 121.20 117.25 1daa s ILE 223 Ca 0.45 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1daa s ILE 223 Cb 0.02 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.54 1daa s ILE 223 CO 0.02 0.30 1.33 -2.84 0.00 0.00 0.00 174.94 173.75 1daa s PRO 224 N 0.02 4.01 0.19 2.79 0.02 -1.26 -4.02 135.00 136.75 1daa s PRO 224 Ca -0.01 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.33 1daa s PRO 224 Cb -0.08 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.58 1daa s PRO 224 CO 0.01 -0.48 -0.17 -0.59 -0.33 0.00 0.00 177.00 175.43 1daa s PHE 225 N -1.22 1.83 0.69 6.54 -0.71 -1.26 -5.04 117.98 118.80 1daa s PHE 225 Ca 0.56 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.90 1daa s PHE 225 Cb -0.40 -0.88 0.06 0.00 -1.21 0.00 0.00 43.02 40.59 1daa s PHE 225 CO 0.52 0.37 0.98 0.95 -1.34 0.00 0.00 175.22 176.70 1daa s THR 226 N -2.36 2.32 0.38 -4.49 -4.23 -1.26 -1.33 115.64 104.67 1daa s THR 226 Ca 0.19 -0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1daa s THR 226 Cb -0.04 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.96 1daa s THR 226 CO 0.07 0.00 1.92 0.71 -0.54 0.00 0.00 174.62 176.78 1daa h THR 227 N -0.52 1.17 -0.11 3.99 1.35 -1.78 -1.31 112.91 115.70 1daa h THR 227 Ca -0.44 -0.74 -0.17 0.00 -0.55 0.00 0.00 66.41 64.51 1daa h THR 227 Cb 1.31 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1daa h THR 227 CO 0.59 0.24 -0.66 -0.74 -0.25 0.00 0.00 175.52 174.69 1daa h HIS 228 N 0.27 0.57 -0.44 4.73 -0.00 -1.94 -2.42 115.15 115.92 1daa h HIS 228 Ca 0.06 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.13 1daa h HIS 228 Cb 0.34 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1daa h HIS 228 CO 0.01 0.97 0.01 0.93 -0.00 0.00 0.00 177.93 179.84 1daa h GLU 229 N 0.31 0.70 -0.75 5.26 5.08 -1.86 -2.76 114.58 120.57 1daa h GLU 229 Ca -0.02 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1daa h GLU 229 Cb 1.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1daa h GLU 229 CO 0.12 0.71 0.43 0.00 -1.00 0.00 0.00 179.01 179.27 1daa h ALA 230 N 1.35 0.95 0.00 3.43 0.00 -0.93 -1.48 119.26 122.58 1daa h ALA 230 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1daa h ALA 230 Cb 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1daa h ALA 230 CO 0.01 0.44 -0.04 -0.07 0.00 0.00 0.00 179.25 179.59 1daa h LEU 231 N 1.02 0.00 -2.26 0.00 3.38 -1.20 -2.70 115.31 113.56 1daa h LEU 231 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1daa h LEU 231 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1daa h LEU 231 CO -0.05 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.81 1daa n LYS 232 N -3.18 2.47 -1.87 1.13 4.76 -0.60 -4.74 118.16 116.11 1daa n LYS 232 Ca -0.00 -2.23 -0.33 0.00 -2.87 0.00 0.00 58.31 52.88 1daa n LYS 232 Cb 0.27 -1.51 0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1daa n LYS 232 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1daa s MET 233 N -1.44 2.98 0.23 1.97 -1.94 -0.91 -4.95 119.30 115.23 1daa s MET 233 Ca 0.40 1.36 0.05 0.00 -1.71 0.00 0.00 55.69 55.78 1daa s MET 233 Cb 0.23 -1.98 0.22 0.00 2.01 0.00 0.00 34.83 35.31 1daa s MET 233 CO 0.31 -1.10 1.54 -0.44 -0.01 0.00 0.00 175.02 175.32 1daa h ASP 234 N 0.23 0.23 -5.12 3.03 3.32 -1.61 -3.38 116.42 113.12 1daa h ASP 234 Ca -0.47 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.35 1daa h ASP 234 Cb 1.24 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1daa h ASP 234 CO 0.55 0.81 -0.35 -1.61 -1.72 0.00 0.00 179.24 176.92 1daa s GLU 235 N -3.66 0.81 -0.04 3.56 2.02 -1.08 -4.47 118.70 115.85 1daa s GLU 235 Ca -0.03 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 1daa s GLU 235 Cb 0.12 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.70 1daa s GLU 235 CO 0.80 -0.26 0.24 -0.51 0.02 0.00 0.00 175.26 175.55 1daa s LEU 236 N -2.58 1.11 0.20 1.80 1.43 -1.26 -1.23 118.68 118.15 1daa s LEU 236 Ca 0.01 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 1daa s LEU 236 Cb 0.03 0.96 0.02 0.00 0.03 0.00 0.00 46.19 47.22 1daa s LEU 236 CO -0.09 -0.29 0.50 0.72 0.23 0.00 0.00 176.35 177.42 1daa s PHE 237 N -0.80 0.01 0.18 0.29 -0.12 -0.56 -0.75 117.98 116.24 1daa s PHE 237 Ca -0.09 -0.37 0.10 0.00 -0.05 0.00 0.00 56.93 56.52 1daa s PHE 237 Cb -0.05 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 1daa s PHE 237 CO 0.02 -0.92 -0.20 0.14 -0.05 0.00 0.00 175.22 174.21 1daa s VAL 238 N -3.91 2.02 -0.01 -2.49 -7.23 -0.85 -0.84 120.40 107.10 1daa s VAL 238 Ca 0.12 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1daa s VAL 238 Cb -0.01 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 1daa s VAL 238 CO -0.00 -0.25 -0.12 0.42 -0.31 0.00 0.00 175.10 174.83 1daa s THR 239 N -1.94 0.97 0.19 5.32 -4.23 -0.48 -1.96 115.64 113.50 1daa s THR 239 Ca 0.18 -0.56 -0.24 0.00 -1.18 0.00 0.00 61.69 59.89 1daa s THR 239 Cb -0.06 -0.82 0.05 0.00 1.34 0.00 0.00 72.50 73.01 1daa s THR 239 CO 0.08 0.25 0.87 -0.94 -0.54 0.00 0.00 174.62 174.34 1daa s SER 240 N -0.36 -0.22 0.28 3.99 1.04 -1.08 -1.35 113.70 116.01 1daa s SER 240 Ca 0.04 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1daa s SER 240 Cb -0.05 0.57 0.60 0.00 0.10 0.00 0.00 66.02 67.24 1daa s SER 240 CO -0.00 -1.04 1.78 0.74 0.98 0.00 0.00 173.24 175.69 1daa h THR 241 N 2.00 0.75 0.00 2.02 2.02 -1.91 0.27 112.91 118.06 1daa h THR 241 Ca -0.23 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1daa h THR 241 Cb 1.24 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1daa h THR 241 CO 0.25 0.13 -1.49 0.35 0.37 0.00 0.00 175.52 175.13 1daa n THR 242 N -4.81 0.21 0.69 3.16 -2.24 -1.26 -4.33 114.28 105.71 1daa n THR 242 Ca 0.19 -0.44 0.09 0.00 -2.27 0.00 0.00 64.05 61.61 1daa n THR 242 Cb 0.47 -0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1daa n THR 242 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1daa n SER 243 N -2.29 2.47 0.00 3.42 3.41 -0.88 -4.67 113.62 115.08 1daa n SER 243 Ca -0.01 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1daa n SER 243 Cb 0.53 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1daa n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1daa n GLU 244 N 0.98 0.00 -3.99 4.33 1.02 0.90 -3.40 120.64 120.47 1daa n GLU 244 Ca 0.10 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.93 1daa n GLU 244 Cb 0.43 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.71 1daa n GLU 244 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1daa s ILE 245 N 0.00 2.41 -0.34 -3.67 1.01 -1.26 -2.62 121.20 116.73 1daa s ILE 245 Ca 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 60.65 57.90 1daa s ILE 245 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1daa s ILE 245 CO 0.00 -0.66 0.33 -0.89 0.00 0.00 0.00 174.94 173.72 1daa s THR 246 N 0.58 5.20 0.40 2.92 2.01 -0.83 -4.71 115.64 121.21 1daa s THR 246 Ca 0.13 0.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 1daa s THR 246 Cb -0.21 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 1daa s THR 246 CO -0.06 -0.05 1.43 -2.65 -0.69 0.00 0.00 174.62 172.59 1daa n PRO 247 N 5.31 2.41 -3.86 4.92 -0.02 -1.26 -2.01 135.00 140.49 1daa n PRO 247 Ca -0.10 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1daa n PRO 247 Cb 0.50 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 1daa n PRO 247 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1daa s VAL 248 N -1.14 3.57 -1.37 -1.45 1.01 0.07 -0.73 120.40 120.36 1daa s VAL 248 Ca 0.56 -0.56 0.16 0.00 0.00 0.00 0.00 61.98 62.14 1daa s VAL 248 Cb -0.48 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1daa s VAL 248 CO 0.61 0.31 0.82 2.30 0.00 0.00 0.00 175.10 179.14 1daa n ILE 249 N 4.81 0.00 -3.63 2.22 -6.64 -0.13 -4.18 119.36 111.81 1daa n ILE 249 Ca -0.17 -0.32 -0.12 0.00 -1.77 0.00 0.00 62.75 60.37 1daa n ILE 249 Cb 0.50 1.17 -0.07 0.00 -1.44 0.00 0.00 39.64 39.79 1daa n ILE 249 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1daa s GLU 250 N -1.90 0.79 -0.10 6.28 2.12 -1.22 -1.23 118.70 123.45 1daa s GLU 250 Ca 0.12 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.51 1daa s GLU 250 Cb 0.12 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.86 1daa s GLU 250 CO 0.41 -0.11 -0.08 0.42 -0.54 0.00 0.00 175.26 175.35 1daa s ILE 251 N 0.74 1.02 -1.47 -3.70 1.01 -0.35 -0.94 121.20 117.50 1daa s ILE 251 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1daa s ILE 251 Cb -0.05 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1daa s ILE 251 CO -0.05 0.36 0.37 0.47 0.00 0.00 0.00 174.94 176.08 1daa n ASP 252 N 4.61 -0.36 0.00 3.58 8.00 -0.63 -1.63 116.55 130.13 1daa n ASP 252 Ca -0.16 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1daa n ASP 252 Cb 0.50 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 1daa n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1daa n GLY 253 N -2.04 1.41 3.51 0.44 0.00 -1.26 -5.01 105.19 102.23 1daa n GLY 253 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1daa n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1daa s LYS 254 N -0.08 3.71 0.35 1.61 1.02 -0.64 -5.09 119.74 120.61 1daa s LYS 254 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 1daa s LYS 254 Cb 0.00 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 1daa s LYS 254 CO 0.00 0.16 1.22 -0.51 -0.92 0.00 0.00 175.35 175.31 1daa s LEU 255 N 0.60 4.37 -0.37 3.17 1.43 -1.26 -1.21 118.68 125.39 1daa s LEU 255 Ca -0.01 2.50 -0.24 0.00 -1.03 0.00 0.00 54.13 55.35 1daa s LEU 255 Cb -0.14 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1daa s LEU 255 CO 0.02 -0.52 0.84 -0.63 0.23 0.00 0.00 176.35 176.29 1daa s ILE 256 N -1.23 4.67 0.00 -0.59 -1.09 -0.36 -4.81 121.20 117.78 1daa s ILE 256 Ca 0.51 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1daa s ILE 256 Cb -0.35 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 1daa s ILE 256 CO 0.46 -0.50 0.00 -1.14 -1.23 0.00 0.00 174.94 172.53 1daa n ARG 257 N 6.59 0.00 0.00 2.79 3.00 -1.26 -0.52 116.66 127.26 1daa n ARG 257 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.01 1daa n ARG 257 Cb 0.48 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.03 1daa n ARG 257 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1daa n ASP 258 N 7.60 2.82 0.00 6.15 5.68 -1.26 -4.94 116.55 132.60 1daa n ASP 258 Ca 0.00 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1daa n ASP 258 Cb 0.00 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1daa n ASP 258 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1daa n GLY 259 N 1.26 0.70 3.82 6.12 0.00 0.32 -5.04 105.19 112.37 1daa n GLY 259 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1daa n GLY 259 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1daa s LYS 260 N -0.10 2.97 0.24 1.61 2.20 -1.26 -4.88 119.74 120.51 1daa s LYS 260 Ca 0.00 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1daa s LYS 260 Cb 0.00 -2.68 -0.10 0.00 -1.51 0.00 0.00 37.83 33.54 1daa s LYS 260 CO 0.00 0.48 1.46 0.08 -0.36 0.00 0.00 175.35 177.02 1daa s VAL 261 N -1.78 2.63 0.70 4.02 1.01 -1.26 -4.96 120.40 120.76 1daa s VAL 261 Ca 0.31 0.52 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1daa s VAL 261 Cb -0.10 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1daa s VAL 261 CO 0.24 0.08 1.06 -0.83 0.00 0.00 0.00 175.10 175.64 1daa s GLY 262 N 0.48 1.62 0.11 4.51 0.00 -1.26 -4.96 107.32 107.82 1daa s GLY 262 Ca 0.61 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 44.50 1daa s GLY 262 CO 0.42 -0.22 1.70 -2.09 0.00 0.00 0.00 173.10 172.91 1daa h GLU 263 N -0.63 -0.14 0.00 2.90 4.81 -1.96 -2.37 114.58 117.19 1daa h GLU 263 Ca -0.45 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 1daa h GLU 263 Cb 1.28 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1daa h GLU 263 CO 0.63 -0.09 -0.52 -1.49 -0.73 0.00 0.00 179.01 176.81 1daa h TRP 264 N -0.14 0.00 -0.44 0.92 4.06 -1.99 -2.52 115.95 115.85 1daa h TRP 264 Ca 0.04 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 1daa h TRP 264 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 1daa h TRP 264 CO -0.16 0.52 0.01 1.15 -3.56 0.00 0.00 178.44 176.40 1daa h THR 265 N 0.00 1.26 -0.71 1.49 2.02 -1.92 -0.86 112.91 114.19 1daa h THR 265 Ca -0.01 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1daa h THR 265 Cb 1.05 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1daa h THR 265 CO 0.07 0.35 0.35 0.03 0.37 0.00 0.00 175.52 176.69 1daa h ARG 266 N 0.61 1.01 0.00 6.66 2.47 -1.25 -1.22 114.38 122.66 1daa h ARG 266 Ca 0.13 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1daa h ARG 266 Cb 0.47 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1daa h ARG 266 CO 0.02 0.79 0.00 1.57 0.56 0.00 0.00 179.97 182.91 1daa h LYS 267 N 0.98 0.00 -0.07 0.04 2.10 -1.21 -1.75 116.57 116.67 1daa h LYS 267 Ca 0.24 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.67 1daa h LYS 267 Cb 0.10 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1daa h LYS 267 CO -0.03 0.00 -0.86 -0.07 -2.00 0.00 0.00 179.45 176.49 1daa h LEU 268 N 0.00 0.72 -0.58 7.07 3.38 -0.61 -2.81 115.31 122.48 1daa h LEU 268 Ca 0.00 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 1daa h LEU 268 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1daa h LEU 268 CO 0.00 1.30 0.10 1.56 0.09 0.00 0.00 178.44 181.50 1daa h GLN 269 N 0.37 0.95 -0.88 1.13 4.20 -1.09 -0.63 115.11 119.16 1daa h GLN 269 Ca -0.07 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.42 1daa h GLN 269 Cb 1.48 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.10 1daa h GLN 269 CO 0.16 0.90 0.57 0.87 -0.67 0.00 0.00 178.83 180.66 1daa h LYS 270 N 0.85 1.08 -0.46 1.46 1.57 -1.37 -1.39 116.57 118.31 1daa h LYS 270 Ca 0.18 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 1daa h LYS 270 Cb 0.40 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1daa h LYS 270 CO 0.01 0.72 -0.24 0.37 -0.57 0.00 0.00 179.45 179.73 1daa h GLN 271 N 1.11 0.96 -0.70 3.15 5.75 -1.25 -3.16 115.11 120.98 1daa h GLN 271 Ca 0.35 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1daa h GLN 271 Cb -0.00 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1daa h GLN 271 CO -0.12 1.09 0.30 0.35 -2.65 0.00 0.00 178.83 177.80 1daa h PHE 272 N 0.82 1.03 -0.04 3.99 3.57 -0.74 -2.54 116.94 123.02 1daa h PHE 272 Ca 0.10 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1daa h PHE 272 Cb 0.81 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1daa h PHE 272 CO 0.05 0.77 0.17 1.49 -2.23 0.00 0.00 178.31 178.56 1daa h GLU 273 N 1.01 0.00 -0.01 1.11 4.57 -1.22 -0.86 114.58 119.18 1daa h GLU 273 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1daa h GLU 273 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1daa h GLU 273 CO -0.02 0.00 -0.25 0.25 -1.18 0.00 0.00 179.01 177.81 1daa n THR 274 N -3.19 0.00 0.10 0.32 -2.24 -0.96 -3.82 114.28 104.50 1daa n THR 274 Ca -0.02 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1daa n THR 274 Cb 0.24 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1daa n THR 274 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1daa n LYS 275 N -0.70 0.59 -2.68 -0.78 5.02 -0.33 -4.98 118.16 114.30 1daa n LYS 275 Ca 0.12 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1daa n LYS 275 Cb 0.34 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1daa n LYS 275 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1daa s ILE 276 N -3.42 3.94 -1.89 -0.18 -1.09 -1.20 -5.06 121.20 112.29 1daa s ILE 276 Ca -0.03 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1daa s ILE 276 Cb 0.12 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1daa s ILE 276 CO 0.85 0.40 0.47 -2.65 -1.23 0.00 0.00 174.94 172.78