#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0g s TYR 2 N 0.00 2.17 -0.01 1.61 1.51 -1.26 -2.20 117.35 119.17 1a0g s TYR 2 Ca 0.00 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1a0g s TYR 2 Cb 0.00 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1a0g s TYR 2 CO 0.00 0.36 -0.08 0.99 -1.11 0.00 0.00 175.55 175.70 1a0g s THR 3 N -1.31 0.65 -0.02 -0.71 2.01 0.33 -4.63 115.64 111.96 1a0g s THR 3 Ca 0.14 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1a0g s THR 3 Cb -0.09 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1a0g s THR 3 CO 0.07 0.19 1.05 -0.22 -0.69 0.00 0.00 174.62 175.02 1a0g s LEU 4 N -0.11 4.33 -0.26 4.42 2.96 0.65 -1.52 118.68 129.15 1a0g s LEU 4 Ca 0.02 1.72 -0.03 0.00 -0.22 0.00 0.00 54.13 55.62 1a0g s LEU 4 Cb -0.04 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.17 1a0g s LEU 4 CO -0.00 -0.38 0.08 0.86 -1.32 0.00 0.00 176.35 175.59 1a0g s TRP 5 N 1.40 1.05 0.00 5.38 -0.00 0.18 -1.59 118.94 125.36 1a0g s TRP 5 Ca 0.53 -1.14 0.00 0.00 -0.00 0.00 0.00 56.10 55.48 1a0g s TRP 5 Cb -0.22 -1.22 0.00 0.00 -0.00 0.00 0.00 33.47 32.02 1a0g s TRP 5 CO 0.25 -0.75 0.00 0.09 -0.00 0.00 0.00 176.95 176.54 1a0g n ASN 6 N 5.04 0.00 -0.59 5.86 3.02 0.36 -1.64 115.26 127.31 1a0g n ASN 6 Ca -0.06 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.55 1a0g n ASN 6 Cb 0.44 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.75 1a0g n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1a0g n ASP 7 N 8.76 1.58 -3.99 6.41 5.68 -1.26 -4.81 116.55 128.91 1a0g n ASP 7 Ca 0.00 -3.14 -0.19 0.00 -0.50 0.00 0.00 54.79 50.96 1a0g n ASP 7 Cb 0.00 -0.43 -0.15 0.00 -1.14 0.00 0.00 41.12 39.40 1a0g n ASP 7 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1a0g s GLN 8 N -2.22 0.75 -0.35 0.11 -0.21 -0.65 -5.09 119.66 111.99 1a0g s GLN 8 Ca 0.31 -0.27 -0.18 0.00 0.02 0.00 0.00 55.36 55.24 1a0g s GLN 8 Cb 0.31 -0.72 -0.00 0.00 1.00 0.00 0.00 33.01 33.59 1a0g s GLN 8 CO -0.05 0.13 0.52 0.42 -2.12 0.00 0.00 175.29 174.19 1a0g s ILE 9 N 0.04 5.00 0.28 1.08 1.09 -1.26 -0.65 121.20 126.78 1a0g s ILE 9 Ca -0.00 0.34 0.05 0.00 -1.10 0.00 0.00 60.65 59.94 1a0g s ILE 9 Cb -0.06 -3.98 -0.06 0.00 -1.06 0.00 0.00 42.46 37.31 1a0g s ILE 9 CO -0.00 -0.23 -0.02 0.68 -0.10 0.00 0.00 174.94 175.26 1a0g s VAL 10 N 2.42 1.43 0.43 2.92 -7.23 -0.58 -4.93 120.40 114.86 1a0g s VAL 10 Ca 0.19 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.04 1a0g s VAL 10 Cb -0.15 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 1a0g s VAL 10 CO 0.13 -0.25 1.24 -0.54 -0.31 0.00 0.00 175.10 175.38 1a0g s LYS 11 N -3.79 3.86 0.40 4.82 1.02 -1.26 -0.51 119.74 124.28 1a0g s LYS 11 Ca 0.31 1.99 0.20 0.00 0.02 0.00 0.00 55.97 58.49 1a0g s LYS 11 Cb 0.05 -2.60 1.16 0.00 -0.52 0.00 0.00 37.83 35.92 1a0g s LYS 11 CO 0.12 -0.53 1.73 -0.44 -0.92 0.00 0.00 175.35 175.31 1a0g h ASP 12 N 2.39 0.42 0.50 2.83 3.32 -1.77 -1.27 116.42 122.84 1a0g h ASP 12 Ca -0.49 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1a0g h ASP 12 Cb 1.25 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1a0g h ASP 12 CO 0.61 0.01 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.81 1a0g h GLU 13 N 0.33 0.00 0.00 3.56 3.07 -1.90 -2.89 114.58 116.75 1a0g h GLU 13 Ca 0.65 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.49 1a0g h GLU 13 Cb 1.73 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.64 1a0g h GLU 13 CO -0.35 0.01 -0.43 0.93 -1.40 0.00 0.00 179.01 177.78 1a0g h GLU 14 N 0.00 0.00 -6.60 2.33 5.08 -1.59 -3.46 114.58 110.34 1a0g h GLU 14 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1a0g h GLU 14 Cb 0.27 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.54 1a0g h GLU 14 CO 0.00 0.08 0.69 0.08 -1.00 0.00 0.00 179.01 178.87 1a0g s VAL 15 N -3.21 3.26 -0.08 3.13 1.01 -1.09 -5.02 120.40 118.40 1a0g s VAL 15 Ca 0.04 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1a0g s VAL 15 Cb 0.07 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1a0g s VAL 15 CO 0.72 0.10 -0.02 -0.54 0.00 0.00 0.00 175.10 175.37 1a0g s LYS 16 N 0.58 0.83 -0.15 2.72 1.02 -1.26 -5.10 119.74 118.37 1a0g s LYS 16 Ca 0.61 0.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.53 1a0g s LYS 16 Cb -0.37 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1a0g s LYS 16 CO 0.34 -0.28 0.12 0.42 -0.92 0.00 0.00 175.35 175.04 1a0g s ILE 17 N 1.83 5.37 0.21 2.17 -1.09 -1.26 -5.08 121.20 123.34 1a0g s ILE 17 Ca 0.04 0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.42 1a0g s ILE 17 Cb -0.12 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1a0g s ILE 17 CO -0.05 0.54 0.72 -0.62 -1.23 0.00 0.00 174.94 174.30 1a0g s ASP 18 N -0.39 7.10 0.64 3.58 2.15 -1.26 -4.96 116.67 123.53 1a0g s ASP 18 Ca 0.11 1.44 0.37 0.00 0.43 0.00 0.00 52.55 54.90 1a0g s ASP 18 Cb -0.12 -2.43 2.07 0.00 -0.30 0.00 0.00 42.92 42.15 1a0g s ASP 18 CO 0.01 0.07 2.24 0.07 -0.17 0.00 0.00 175.17 177.39 1a0g h LYS 19 N 3.60 0.00 -0.62 4.34 2.10 -2.01 -0.74 116.57 123.24 1a0g h LYS 19 Ca -0.48 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 57.93 1a0g h LYS 19 Cb 1.20 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.38 1a0g h LYS 19 CO 0.65 0.00 0.22 0.39 -2.00 0.00 0.00 179.45 178.71 1a0g n GLU 20 N -3.33 2.83 -2.25 0.07 1.02 -1.26 -4.66 120.64 113.07 1a0g n GLU 20 Ca -0.02 -3.06 -0.42 0.00 -0.02 0.00 0.00 57.16 53.64 1a0g n GLU 20 Cb 0.16 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 1a0g n GLU 20 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1a0g s ASP 21 N -1.61 6.90 0.66 1.62 -1.08 -0.29 -2.58 116.67 120.29 1a0g s ASP 21 Ca 0.51 2.22 0.42 0.00 -0.52 0.00 0.00 52.55 55.18 1a0g s ASP 21 Cb 0.43 -2.58 2.32 0.00 -1.46 0.00 0.00 42.92 41.62 1a0g s ASP 21 CO 0.09 -0.61 2.34 0.03 0.52 0.00 0.00 175.17 177.54 1a0g h ARG 22 N 6.91 0.00 0.00 4.34 3.08 -1.29 0.82 114.38 128.25 1a0g h ARG 22 Ca -0.41 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.55 1a0g h ARG 22 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1a0g h ARG 22 CO 0.85 0.00 -0.38 0.78 -1.07 0.00 0.00 179.97 180.15 1a0g h GLY 23 N 0.00 0.00 1.36 0.04 0.00 -1.82 -0.28 103.07 102.36 1a0g h GLY 23 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1a0g h GLY 23 CO -0.00 0.00 -1.45 -1.82 0.00 0.00 0.00 176.54 173.27 1a0g h TYR 24 N 0.00 0.11 0.00 5.60 3.20 -1.19 -3.07 116.97 121.62 1a0g h TYR 24 Ca -0.00 -0.08 -0.35 0.00 3.14 0.00 0.00 58.73 61.44 1a0g h TYR 24 Cb 1.04 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 1a0g h TYR 24 CO 0.00 1.11 -2.19 1.04 -1.64 0.00 0.00 178.16 176.48 1a0g n GLN 25 N -3.25 0.67 0.00 1.82 6.02 -0.91 -4.66 117.38 117.07 1a0g n GLN 25 Ca -0.12 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1a0g n GLN 25 Cb 1.01 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1a0g n GLN 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1a0g n PHE 26 N -2.87 0.00 -2.41 1.08 3.72 -0.17 -4.99 117.46 111.83 1a0g n PHE 26 Ca -0.29 -0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 56.84 1a0g n PHE 26 Cb 1.12 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.64 1a0g n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a0g n GLY 27 N -0.07 -0.47 3.58 1.37 0.00 -0.99 -4.87 105.19 103.74 1a0g n GLY 27 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1a0g n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a0g s ASP 28 N -2.10 6.85 -0.02 1.61 2.15 -0.91 -3.65 116.67 120.60 1a0g s ASP 28 Ca 0.01 -2.47 -0.30 0.00 0.43 0.00 0.00 52.55 50.23 1a0g s ASP 28 Cb -0.00 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.15 1a0g s ASP 28 CO 0.01 -1.15 1.30 -0.83 -0.17 0.00 0.00 175.17 174.33 1a0g s GLY 29 N 4.18 -0.27 0.20 2.66 0.00 -1.26 -1.74 107.32 111.09 1a0g s GLY 29 Ca 0.54 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.69 1a0g s GLY 29 CO 0.08 2.87 -0.10 -1.34 0.00 0.00 0.00 173.10 174.61 1a0g s VAL 30 N -2.19 1.44 0.17 1.40 -7.23 0.32 -1.18 120.40 113.13 1a0g s VAL 30 Ca 0.22 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1a0g s VAL 30 Cb 0.02 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1a0g s VAL 30 CO -0.02 -0.55 0.19 -0.72 -0.31 0.00 0.00 175.10 173.69 1a0g s TYR 31 N -3.16 0.70 0.03 2.82 1.13 -0.93 -0.99 117.35 116.96 1a0g s TYR 31 Ca 0.23 -1.04 -0.15 0.00 -1.41 0.00 0.00 57.07 54.70 1a0g s TYR 31 Cb 0.02 -0.28 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 1a0g s TYR 31 CO 0.06 -0.66 0.33 -1.21 -2.51 0.00 0.00 175.55 171.55 1a0g s GLU 32 N -4.04 0.80 -0.05 -3.49 0.41 -0.15 -4.88 118.70 107.31 1a0g s GLU 32 Ca 0.24 -0.41 0.02 0.00 -0.41 0.00 0.00 54.97 54.41 1a0g s GLU 32 Cb 0.05 0.35 0.01 0.00 -1.78 0.00 0.00 34.13 32.76 1a0g s GLU 32 CO 0.04 -0.25 -0.10 0.08 -0.49 0.00 0.00 175.26 174.54 1a0g s VAL 33 N -2.29 0.92 -0.08 2.63 1.01 -1.26 -1.55 120.40 119.77 1a0g s VAL 33 Ca -0.07 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1a0g s VAL 33 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1a0g s VAL 33 CO -0.02 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1a0g s VAL 34 N 0.52 1.44 0.21 2.92 1.01 -0.17 -4.93 120.40 121.39 1a0g s VAL 34 Ca -0.10 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1a0g s VAL 34 Cb -0.13 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 1a0g s VAL 34 CO 0.02 0.42 0.79 -0.75 0.00 0.00 0.00 175.10 175.58 1a0g s LYS 35 N 0.63 4.48 -0.14 2.72 2.47 -1.26 -0.39 119.74 128.25 1a0g s LYS 35 Ca -0.15 1.10 0.03 0.00 -1.56 0.00 0.00 55.97 55.39 1a0g s LYS 35 Cb -0.16 -3.09 0.01 0.00 -1.46 0.00 0.00 37.83 33.13 1a0g s LYS 35 CO 0.04 0.48 -0.22 0.08 0.16 0.00 0.00 175.35 175.89 1a0g s VAL 36 N -1.32 2.08 -0.25 4.02 1.01 -0.12 -0.72 120.40 125.10 1a0g s VAL 36 Ca 0.40 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1a0g s VAL 36 Cb -0.21 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1a0g s VAL 36 CO 0.24 0.55 -0.02 -0.31 0.00 0.00 0.00 175.10 175.56 1a0g s TYR 37 N 0.76 3.06 -1.52 5.22 2.02 0.07 -1.69 117.35 125.26 1a0g s TYR 37 Ca -0.08 -1.29 -0.06 0.00 -0.37 0.00 0.00 57.07 55.27 1a0g s TYR 37 Cb -0.16 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 1a0g s TYR 37 CO -0.01 -0.65 0.51 0.09 -1.57 0.00 0.00 175.55 173.92 1a0g n ASN 38 N 4.74 -1.26 0.00 2.29 3.02 -0.64 -1.66 115.26 121.76 1a0g n ASN 38 Ca -0.16 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1a0g n ASN 38 Cb 0.48 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 1a0g n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a0g n GLY 39 N -1.84 2.13 3.62 7.41 0.00 0.79 -4.98 105.19 112.32 1a0g n GLY 39 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1a0g n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a0g s GLU 40 N -0.40 3.19 -0.04 1.61 0.41 -0.66 -5.00 118.70 117.80 1a0g s GLU 40 Ca 0.00 -0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.82 1a0g s GLU 40 Cb 0.00 -2.83 -0.03 0.00 -1.78 0.00 0.00 34.13 29.50 1a0g s GLU 40 CO 0.00 0.56 1.03 -1.64 -0.49 0.00 0.00 175.26 174.72 1a0g s MET 41 N -0.49 4.48 -0.12 1.61 -1.94 -1.26 -0.75 119.30 120.83 1a0g s MET 41 Ca 0.08 1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 55.28 1a0g s MET 41 Cb -0.12 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1a0g s MET 41 CO 0.02 -0.20 0.76 0.12 -0.01 0.00 0.00 175.02 175.72 1a0g s PHE 42 N 1.47 3.50 -1.54 -0.03 5.36 0.10 -4.21 117.98 122.63 1a0g s PHE 42 Ca 0.52 1.24 -0.17 0.00 -0.96 0.00 0.00 56.93 57.56 1a0g s PHE 42 Cb -0.21 -2.91 0.15 0.00 -0.34 0.00 0.00 43.02 39.71 1a0g s PHE 42 CO 0.24 -0.08 0.62 0.25 -1.46 0.00 0.00 175.22 174.80 1a0g n THR 43 N 4.26 -0.67 -0.32 0.12 -2.24 -1.26 -4.48 114.28 109.69 1a0g n THR 43 Ca 0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1a0g n THR 43 Cb 0.50 -1.28 0.23 0.00 -2.10 0.00 0.00 70.33 67.68 1a0g n THR 43 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1a0g h VAL 44 N -1.11 0.80 -0.12 2.28 3.04 -1.94 -2.06 116.25 117.14 1a0g h VAL 44 Ca -0.51 -0.26 -0.05 0.00 -1.01 0.00 0.00 66.70 64.86 1a0g h VAL 44 Cb 1.34 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1a0g h VAL 44 CO 0.70 0.14 -0.17 0.78 -1.01 0.00 0.00 177.57 178.01 1a0g h ASN 45 N 0.75 0.19 -0.18 3.17 2.35 -1.94 -1.17 115.58 118.75 1a0g h ASN 45 Ca 0.47 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 56.02 1a0g h ASN 45 Cb 0.60 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1a0g h ASN 45 CO -0.32 0.38 -0.48 -0.33 -1.65 0.00 0.00 177.43 175.03 1a0g h GLU 46 N 0.18 0.74 -0.37 0.81 3.07 -1.76 -0.98 114.58 116.28 1a0g h GLU 46 Ca 0.04 -0.43 -0.14 0.00 -0.50 0.00 0.00 59.36 58.33 1a0g h GLU 46 Cb 0.42 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1a0g h GLU 46 CO 0.03 1.06 -0.32 0.45 -1.40 0.00 0.00 179.01 178.83 1a0g h HIS 47 N 0.59 0.95 -0.46 4.33 3.86 -1.31 -0.68 115.15 122.44 1a0g h HIS 47 Ca 0.03 -0.26 -0.12 0.00 -1.16 0.00 0.00 60.37 58.86 1a0g h HIS 47 Cb 1.05 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1a0g h HIS 47 CO 0.06 1.02 -0.20 0.82 0.86 0.00 0.00 177.93 180.49 1a0g h ILE 48 N 0.69 1.27 -0.79 2.45 2.04 -1.12 0.39 117.51 122.44 1a0g h ILE 48 Ca 0.07 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1a0g h ILE 48 Cb 0.87 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1a0g h ILE 48 CO 0.08 0.46 0.31 0.44 0.00 0.00 0.00 178.15 179.44 1a0g h ASP 49 N 0.80 1.08 0.30 1.72 3.32 -0.96 -1.71 116.42 120.97 1a0g h ASP 49 Ca 0.11 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 1a0g h ASP 49 Cb 0.75 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1a0g h ASP 49 CO 0.06 0.96 -0.63 -0.09 -1.72 0.00 0.00 179.24 177.82 1a0g h ARG 50 N 1.14 0.32 -0.46 3.56 2.43 -0.78 -1.59 114.38 119.01 1a0g h ARG 50 Ca 0.26 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1a0g h ARG 50 Cb 0.22 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1a0g h ARG 50 CO -0.02 0.85 0.28 1.25 -1.51 0.00 0.00 179.97 180.82 1a0g h LEU 51 N 0.23 0.55 -0.73 3.80 5.85 -0.54 0.12 115.31 124.59 1a0g h LEU 51 Ca -0.01 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1a0g h LEU 51 Cb 1.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1a0g h LEU 51 CO 0.10 0.43 -0.06 1.88 -0.34 0.00 0.00 178.44 180.46 1a0g h TYR 52 N 0.61 0.99 -0.47 1.25 -1.99 -1.20 -1.49 116.97 114.67 1a0g h TYR 52 Ca 0.16 -0.18 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1a0g h TYR 52 Cb -0.02 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.44 1a0g h TYR 52 CO -0.03 0.93 -0.02 0.00 -0.00 0.00 0.00 178.16 179.03 1a0g h ALA 53 N 1.10 0.64 -0.31 3.88 0.00 -0.88 0.12 119.26 123.80 1a0g h ALA 53 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1a0g h ALA 53 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1a0g h ALA 53 CO 0.03 0.46 0.03 0.77 0.00 0.00 0.00 179.25 180.54 1a0g h SER 54 N 0.70 0.52 -0.62 0.00 0.02 -0.64 -1.69 113.55 111.84 1a0g h SER 54 Ca 0.13 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1a0g h SER 54 Cb 0.53 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1a0g h SER 54 CO 0.03 0.67 0.37 0.00 -1.14 0.00 0.00 176.83 176.76 1a0g h ALA 55 N 0.87 0.79 -0.60 3.77 0.00 -1.15 -2.42 119.26 120.52 1a0g h ALA 55 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1a0g h ALA 55 Cb 0.39 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1a0g h ALA 55 CO 0.01 0.28 0.26 1.49 0.00 0.00 0.00 179.25 181.29 1a0g h GLU 56 N 0.84 0.86 -0.12 0.00 4.81 -0.86 0.00 114.58 120.12 1a0g h GLU 56 Ca 0.22 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1a0g h GLU 56 Cb -0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1a0g h GLU 56 CO -0.04 0.69 -0.04 0.87 -0.73 0.00 0.00 179.01 179.75 1a0g h LYS 57 N 0.85 0.18 -0.42 1.92 1.57 -0.79 -1.73 116.57 118.15 1a0g h LYS 57 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1a0g h LYS 57 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1a0g h LYS 57 CO -0.02 0.24 0.00 0.44 -0.57 0.00 0.00 179.45 179.54 1a0g n ILE 58 N -4.38 2.45 -3.66 1.86 -5.35 -0.91 -4.97 119.36 104.39 1a0g n ILE 58 Ca -0.01 -1.63 -0.23 0.00 -0.27 0.00 0.00 62.75 60.61 1a0g n ILE 58 Cb 0.18 -0.23 0.06 0.00 -1.74 0.00 0.00 39.64 37.92 1a0g n ILE 58 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1a0g n ARG 59 N 0.08 -6.46 -4.02 6.28 1.74 -0.65 -5.02 116.66 108.62 1a0g n ARG 59 Ca 0.24 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.70 1a0g n ARG 59 Cb 1.02 -5.64 -0.08 0.00 -1.02 0.00 0.00 32.46 26.73 1a0g n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a0g s ILE 60 N -3.40 5.03 -0.38 0.55 1.01 -0.07 -5.00 121.20 118.94 1a0g s ILE 60 Ca 0.35 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 1a0g s ILE 60 Cb -0.16 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.16 1a0g s ILE 60 CO 0.77 0.56 0.19 -0.89 0.00 0.00 0.00 174.94 175.57 1a0g s THR 61 N -0.51 4.05 -0.12 2.92 2.01 -1.26 -4.09 115.64 118.64 1a0g s THR 61 Ca 0.11 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 1a0g s THR 61 Cb -0.12 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1a0g s THR 61 CO 0.02 -0.36 1.61 -0.63 -0.69 0.00 0.00 174.62 174.57 1a0g s ILE 62 N 1.42 3.68 -1.10 1.82 1.01 -1.26 -4.77 121.20 121.99 1a0g s ILE 62 Ca 0.01 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1a0g s ILE 62 Cb -0.21 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1a0g s ILE 62 CO 0.03 -0.13 0.92 -0.81 0.00 0.00 0.00 174.94 174.94 1a0g n PRO 63 N 7.26 0.00 -4.18 2.79 -0.04 -1.26 -4.78 135.00 134.79 1a0g n PRO 63 Ca 0.18 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1a0g n PRO 63 Cb 0.44 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1a0g n PRO 63 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1a0g s TYR 64 N -2.84 0.97 0.78 0.54 -0.85 -1.26 -5.16 117.35 109.54 1a0g s TYR 64 Ca 0.00 -1.19 -0.11 0.00 -0.52 0.00 0.00 57.07 55.25 1a0g s TYR 64 Cb 0.00 -0.55 0.06 0.00 0.38 0.00 0.00 41.96 41.85 1a0g s TYR 64 CO 0.00 -0.45 1.09 0.95 -1.52 0.00 0.00 175.55 175.62 1a0g s THR 65 N -3.95 3.28 0.36 -3.49 -4.23 -1.26 -4.87 115.64 101.47 1a0g s THR 65 Ca 0.25 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1a0g s THR 65 Cb 0.07 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 71.09 1a0g s THR 65 CO 0.03 -0.54 1.97 0.11 -0.54 0.00 0.00 174.62 175.65 1a0g h LYS 66 N -1.06 0.75 -0.77 3.99 1.57 -1.98 -1.41 116.57 117.66 1a0g h LYS 66 Ca -0.46 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1a0g h LYS 66 Cb 1.25 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1a0g h LYS 66 CO 0.57 0.50 0.35 0.38 -0.57 0.00 0.00 179.45 180.68 1a0g h ASP 67 N 0.78 1.03 -0.36 0.86 3.04 -1.99 0.43 116.42 120.22 1a0g h ASP 67 Ca 0.29 -0.15 -0.16 0.00 -3.24 0.00 0.00 57.03 53.78 1a0g h ASP 67 Cb 0.17 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.19 1a0g h ASP 67 CO -0.09 0.90 -0.38 0.50 -2.04 0.00 0.00 179.24 178.13 1a0g h LYS 68 N 1.10 0.91 -0.59 4.15 1.63 -1.68 -1.36 116.57 120.73 1a0g h LYS 68 Ca 0.26 -0.47 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 1a0g h LYS 68 Cb 0.16 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1a0g h LYS 68 CO -0.03 1.12 0.23 0.35 -3.45 0.00 0.00 179.45 177.67 1a0g h PHE 69 N 0.74 0.91 -0.30 1.91 3.04 -0.81 -1.96 116.94 120.47 1a0g h PHE 69 Ca 0.06 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1a0g h PHE 69 Cb 0.97 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1a0g h PHE 69 CO 0.06 0.73 0.16 1.25 -2.02 0.00 0.00 178.31 178.50 1a0g h HIS 70 N 0.82 0.42 -0.65 0.41 2.76 -0.71 -1.43 115.15 116.77 1a0g h HIS 70 Ca 0.20 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1a0g h HIS 70 Cb 0.22 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 1a0g h HIS 70 CO 0.01 0.35 0.38 0.37 -1.30 0.00 0.00 177.93 177.74 1a0g h GLN 71 N 0.37 0.70 -0.56 5.26 4.15 -1.09 -0.84 115.11 123.10 1a0g h GLN 71 Ca 0.11 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1a0g h GLN 71 Cb 0.08 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1a0g h GLN 71 CO -0.02 0.46 0.13 -0.07 -1.93 0.00 0.00 178.83 177.41 1a0g h LEU 72 N 0.72 0.81 -0.49 -2.39 3.38 -1.03 0.29 115.31 116.60 1a0g h LEU 72 Ca 0.28 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1a0g h LEU 72 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1a0g h LEU 72 CO -0.14 0.79 -0.35 -0.07 0.09 0.00 0.00 178.44 178.76 1a0g h LEU 73 N 0.83 0.91 -0.13 1.67 3.38 -0.69 -0.49 115.31 120.79 1a0g h LEU 73 Ca 0.18 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1a0g h LEU 73 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1a0g h LEU 73 CO -0.00 1.16 0.08 -0.74 0.09 0.00 0.00 178.44 179.03 1a0g h HIS 74 N 0.71 0.17 -0.95 1.13 2.76 -0.56 -0.32 115.15 118.09 1a0g h HIS 74 Ca 0.07 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1a0g h HIS 74 Cb 0.92 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.78 1a0g h HIS 74 CO 0.05 0.15 0.57 0.93 -1.30 0.00 0.00 177.93 178.33 1a0g h GLU 75 N 0.14 1.29 -0.77 5.26 5.08 -0.84 -1.79 114.58 122.96 1a0g h GLU 75 Ca 0.05 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1a0g h GLU 75 Cb 0.03 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1a0g h GLU 75 CO -0.01 0.90 0.30 1.25 -1.00 0.00 0.00 179.01 180.45 1a0g h LEU 76 N 1.31 1.07 -0.27 1.33 5.85 -0.60 0.38 115.31 124.37 1a0g h LEU 76 Ca 0.34 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1a0g h LEU 76 Cb -0.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1a0g h LEU 76 CO -0.06 0.95 0.01 0.58 -0.34 0.00 0.00 178.44 179.58 1a0g h VAL 77 N 1.11 1.25 0.13 1.05 2.07 -0.59 -2.56 116.25 118.71 1a0g h VAL 77 Ca 0.25 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1a0g h VAL 77 Cb 0.23 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1a0g h VAL 77 CO -0.02 0.28 -0.06 -0.08 0.02 0.00 0.00 177.57 177.71 1a0g h GLU 78 N 0.26 -0.16 -0.78 1.57 4.57 -1.11 -0.24 114.58 118.68 1a0g h GLU 78 Ca 0.08 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1a0g h GLU 78 Cb 0.40 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1a0g h GLU 78 CO 0.01 -0.02 0.46 0.87 -1.18 0.00 0.00 179.01 179.16 1a0g h LYS 79 N -0.28 1.05 -0.00 1.92 1.57 -0.98 -1.57 116.57 118.28 1a0g h LYS 79 Ca -0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1a0g h LYS 79 Cb 0.22 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a0g h LYS 79 CO 0.03 0.74 -0.18 0.09 -0.57 0.00 0.00 179.45 179.56 1a0g n ASN 80 N -4.38 0.18 -3.58 0.86 3.02 -0.96 -4.90 115.26 105.49 1a0g n ASN 80 Ca 0.08 0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 54.65 1a0g n ASN 80 Cb 0.07 -0.23 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1a0g n ASN 80 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a0g n GLU 81 N -1.49 -5.94 -2.48 3.52 1.02 -0.16 -4.91 120.64 110.20 1a0g n GLU 81 Ca 0.07 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.51 1a0g n GLU 81 Cb 0.34 -5.56 -0.02 0.00 -0.02 0.00 0.00 31.44 26.18 1a0g n GLU 81 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1a0g s LEU 82 N -6.61 4.17 0.00 -4.62 2.96 -0.84 -4.96 118.68 108.78 1a0g s LEU 82 Ca 0.08 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 1a0g s LEU 82 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1a0g s LEU 82 CO 0.77 -0.72 0.00 -3.20 -1.32 0.00 0.00 176.35 171.88 1a0g n ASN 83 N 6.38 0.00 -4.15 3.68 4.05 -1.26 -3.62 115.26 120.34 1a0g n ASN 83 Ca 0.13 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.84 1a0g n ASN 83 Cb 0.45 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 41.30 1a0g n ASN 83 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1a0g s THR 84 N 0.00 2.03 0.00 -0.44 2.01 -1.26 -0.14 115.64 117.84 1a0g s THR 84 Ca 0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1a0g s THR 84 Cb 0.00 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1a0g s THR 84 CO 0.00 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1a0g n GLY 85 N 4.26 -0.83 3.34 4.40 0.00 -0.68 -0.68 105.19 115.00 1a0g n GLY 85 Ca -0.20 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1a0g n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a0g s HIS 86 N -2.79 -0.27 -0.14 1.61 -3.43 0.02 -0.95 115.29 109.34 1a0g s HIS 86 Ca 0.00 -0.02 -0.03 0.00 -0.80 0.00 0.00 55.06 54.22 1a0g s HIS 86 Cb 0.00 0.32 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1a0g s HIS 86 CO 0.00 -0.73 -0.04 0.42 -2.00 0.00 0.00 174.74 172.39 1a0g s ILE 87 N -3.76 3.89 -0.13 -5.38 1.01 0.48 -1.06 121.20 116.24 1a0g s ILE 87 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1a0g s ILE 87 Cb 0.01 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1a0g s ILE 87 CO -0.12 0.52 -0.10 -0.47 0.00 0.00 0.00 174.94 174.76 1a0g s TYR 88 N 0.13 2.88 -0.02 3.97 5.04 0.34 -1.00 117.35 128.67 1a0g s TYR 88 Ca -0.01 -0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1a0g s TYR 88 Cb -0.14 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1a0g s TYR 88 CO 0.03 -0.14 0.08 -0.59 -1.34 0.00 0.00 175.55 173.59 1a0g s PHE 89 N 0.31 -0.03 0.05 4.97 -0.71 -0.59 -0.76 117.98 121.22 1a0g s PHE 89 Ca -0.08 0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.86 1a0g s PHE 89 Cb -0.15 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 1a0g s PHE 89 CO 0.05 -0.11 -0.01 1.14 -1.34 0.00 0.00 175.22 174.95 1a0g s GLN 90 N -0.39 0.59 -0.04 1.99 -2.07 -0.01 -0.98 119.66 118.75 1a0g s GLN 90 Ca -0.05 -1.11 0.01 0.00 -1.82 0.00 0.00 55.36 52.39 1a0g s GLN 90 Cb -0.03 0.21 0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1a0g s GLN 90 CO 0.00 -0.12 -0.05 0.08 -1.32 0.00 0.00 175.29 173.88 1a0g s VAL 91 N -3.58 0.57 0.30 3.63 1.01 -0.16 -1.73 120.40 120.45 1a0g s VAL 91 Ca 0.04 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1a0g s VAL 91 Cb 0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1a0g s VAL 91 CO -0.09 0.22 -0.14 0.42 0.00 0.00 0.00 175.10 175.52 1a0g s THR 92 N 0.75 2.50 0.53 3.92 -4.23 -0.78 -0.52 115.64 117.82 1a0g s THR 92 Ca -0.10 -2.27 0.21 0.00 -1.18 0.00 0.00 61.69 58.35 1a0g s THR 92 Cb -0.13 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.55 1a0g s THR 92 CO 0.00 -0.32 2.09 -0.09 -0.54 0.00 0.00 174.62 175.76 1a0g h ARG 93 N 2.13 0.00 0.00 3.99 2.43 -1.67 -2.62 114.38 118.63 1a0g h ARG 93 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1a0g h ARG 93 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1a0g h ARG 93 CO 0.64 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.51 1a0g n GLY 94 N -1.56 0.80 3.78 2.80 0.00 -1.26 -3.51 105.19 106.24 1a0g n GLY 94 Ca 0.02 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1a0g n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0g s THR 95 N -0.99 5.38 -0.13 2.61 2.01 -1.26 -0.77 115.64 122.48 1a0g s THR 95 Ca 0.00 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1a0g s THR 95 Cb 0.00 -3.52 0.11 0.00 0.01 0.00 0.00 72.50 69.10 1a0g s THR 95 CO 0.00 0.48 0.90 -0.55 -0.69 0.00 0.00 174.62 174.76 1a0g s SER 96 N -0.07 -0.46 0.24 3.53 0.15 -1.07 -4.90 113.70 111.12 1a0g s SER 96 Ca 0.13 0.52 -0.31 0.00 0.70 0.00 0.00 55.95 56.99 1a0g s SER 96 Cb -0.12 0.40 -0.13 0.00 -1.71 0.00 0.00 66.02 64.45 1a0g s SER 96 CO 0.02 -0.42 1.44 -2.65 1.20 0.00 0.00 173.24 172.84 1a0g n PRO 97 N 0.83 2.12 -1.60 5.44 -0.02 -1.26 -4.75 135.00 135.76 1a0g n PRO 97 Ca -0.13 0.75 -0.58 0.00 -2.02 0.00 0.00 63.50 61.52 1a0g n PRO 97 Cb 0.58 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 1a0g n PRO 97 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1a0g n ARG 98 N 2.14 0.77 -3.64 -0.52 0.63 -1.26 -4.94 116.66 109.84 1a0g n ARG 98 Ca 0.12 0.26 -0.08 0.00 -0.92 0.00 0.00 57.85 57.23 1a0g n ARG 98 Cb 0.32 -1.98 -0.07 0.00 0.45 0.00 0.00 32.46 31.18 1a0g n ARG 98 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a0g s ALA 99 N 4.54 -1.96 0.18 5.13 0.00 -1.26 -5.08 121.76 123.31 1a0g s ALA 99 Ca 1.05 2.18 -0.13 0.00 0.00 0.00 0.00 51.96 55.06 1a0g s ALA 99 Cb -1.17 -1.43 0.11 0.00 0.00 0.00 0.00 23.12 20.62 1a0g s ALA 99 CO 0.66 -0.34 1.81 0.45 0.00 0.00 0.00 175.76 178.34 1a0g h HIS 100 N 5.80 0.57 -4.22 0.00 3.86 -2.02 -3.44 115.15 115.70 1a0g h HIS 100 Ca -0.29 0.02 -0.51 0.00 -1.16 0.00 0.00 60.37 58.42 1a0g h HIS 100 Cb 1.20 -0.18 0.12 0.00 1.06 0.00 0.00 27.41 29.60 1a0g h HIS 100 CO 0.19 0.32 0.36 1.14 0.86 0.00 0.00 177.93 180.80 1a0g s GLN 101 N -6.14 2.52 0.50 2.45 0.00 -1.26 -4.97 119.66 112.77 1a0g s GLN 101 Ca -0.13 1.40 -0.22 0.00 -0.00 0.00 0.00 55.36 56.41 1a0g s GLN 101 Cb 0.13 -1.91 -0.07 0.00 0.00 0.00 0.00 33.01 31.15 1a0g s GLN 101 CO 0.74 -1.47 1.13 1.19 0.00 0.00 0.00 175.29 176.88 1a0g n PHE 102 N -2.76 1.54 -1.75 9.60 3.72 -1.26 -4.98 117.46 121.57 1a0g n PHE 102 Ca 0.11 0.48 -0.30 0.00 -0.05 0.00 0.00 57.45 57.69 1a0g n PHE 102 Cb 0.52 -2.27 0.19 0.00 -0.94 0.00 0.00 39.48 36.99 1a0g n PHE 102 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1a0g s PRO 103 N -2.47 0.27 0.39 -1.08 0.02 -1.26 -4.98 135.00 125.89 1a0g s PRO 103 Ca 0.68 -0.32 -0.27 0.00 0.02 0.00 0.00 61.00 61.11 1a0g s PRO 103 Cb -0.47 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 1a0g s PRO 103 CO 0.53 -2.67 1.34 -1.21 -0.33 0.00 0.00 177.00 174.65 1a0g s GLU 104 N -5.78 4.05 0.00 5.54 2.02 -1.26 -4.82 118.70 118.46 1a0g s GLU 104 Ca 0.73 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.97 1a0g s GLU 104 Cb -0.05 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1a0g s GLU 104 CO 0.54 -0.46 0.28 -1.71 0.02 0.00 0.00 175.26 173.93 1a0g n ASN 105 N 0.30 0.00 -0.24 -0.19 5.15 -1.26 -1.52 115.26 117.50 1a0g n ASN 105 Ca 0.03 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.14 1a0g n ASN 105 Cb 0.42 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.18 1a0g n ASN 105 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a0g n THR 106 N -0.76 0.00 -2.90 -0.44 -2.24 -1.26 -4.86 114.28 101.81 1a0g n THR 106 Ca 0.00 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1a0g n THR 106 Cb 0.00 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1a0g n THR 106 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a0g s VAL 107 N -2.37 4.94 -0.05 2.28 1.01 -0.58 -5.04 120.40 120.59 1a0g s VAL 107 Ca 0.30 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 1a0g s VAL 107 Cb 0.20 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1a0g s VAL 107 CO 0.46 0.15 0.60 -0.75 0.00 0.00 0.00 175.10 175.55 1a0g s LYS 108 N 1.35 4.36 0.61 2.72 2.20 -1.26 -4.93 119.74 124.78 1a0g s LYS 108 Ca 0.41 0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 56.54 1a0g s LYS 108 Cb -0.18 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1a0g s LYS 108 CO 0.18 0.23 1.26 -2.14 -0.36 0.00 0.00 175.35 174.53 1a0g s PRO 109 N 0.29 2.82 -0.24 4.03 0.02 -1.23 -4.28 135.00 136.42 1a0g s PRO 109 Ca 0.32 1.98 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1a0g s PRO 109 Cb -0.17 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 1a0g s PRO 109 CO 0.16 -1.36 0.14 0.08 -0.33 0.00 0.00 177.00 175.68 1a0g s VAL 110 N -1.47 5.14 -0.12 3.83 1.01 -0.99 -4.87 120.40 122.93 1a0g s VAL 110 Ca 0.79 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1a0g s VAL 110 Cb -0.35 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1a0g s VAL 110 CO 0.37 0.35 -0.07 -0.63 0.00 0.00 0.00 175.10 175.12 1a0g s ILE 111 N 1.14 3.60 -0.02 2.22 1.01 -1.26 -1.86 121.20 126.02 1a0g s ILE 111 Ca 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1a0g s ILE 111 Cb -0.14 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1a0g s ILE 111 CO 0.05 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.82 1a0g s ILE 112 N -0.05 0.64 -0.15 2.92 -1.09 -0.70 -0.49 121.20 122.28 1a0g s ILE 112 Ca -0.00 -0.31 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 1a0g s ILE 112 Cb -0.13 -0.57 0.04 0.00 -1.58 0.00 0.00 42.46 40.22 1a0g s ILE 112 CO 0.03 0.20 0.41 -0.83 -1.23 0.00 0.00 174.94 173.52 1a0g s GLY 113 N 0.05 -0.31 0.23 6.18 0.00 -0.62 -0.83 107.32 112.02 1a0g s GLY 113 Ca -0.00 1.15 -0.16 0.00 0.00 0.00 0.00 44.72 45.70 1a0g s GLY 113 CO -0.00 0.99 0.53 -2.52 0.00 0.00 0.00 173.10 172.09 1a0g s TYR 114 N 0.21 0.09 0.32 1.90 1.13 0.06 -0.25 117.35 120.81 1a0g s TYR 114 Ca -0.00 -0.47 0.09 0.00 -1.41 0.00 0.00 57.07 55.28 1a0g s TYR 114 Cb -0.03 0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 41.12 1a0g s TYR 114 CO 0.01 -1.00 -0.00 0.95 -2.51 0.00 0.00 175.55 173.00 1a0g s THR 115 N -3.95 2.76 -0.13 -3.49 -4.23 -1.26 -0.51 115.64 104.83 1a0g s THR 115 Ca 0.15 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 1a0g s THR 115 Cb -0.02 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.10 1a0g s THR 115 CO 0.04 -0.24 0.33 -0.75 -0.54 0.00 0.00 174.62 173.46 1a0g s LYS 116 N -3.70 0.36 -0.09 3.99 2.20 -0.23 -4.96 119.74 117.31 1a0g s LYS 116 Ca 0.34 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 56.20 1a0g s LYS 116 Cb -0.02 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1a0g s LYS 116 CO 0.19 -0.09 0.91 -2.00 -0.36 0.00 0.00 175.35 174.01 1a0g s GLU 117 N 0.57 4.42 -0.25 4.03 2.56 -1.26 -0.80 118.70 127.97 1a0g s GLU 117 Ca -0.03 1.23 -0.10 0.00 0.00 0.00 0.00 54.97 56.06 1a0g s GLU 117 Cb -0.05 -3.52 0.10 0.00 2.00 0.00 0.00 34.13 32.67 1a0g s GLU 117 CO -0.03 -0.21 0.56 1.21 -0.56 0.00 0.00 175.26 176.23 1a0g s ASN 118 N 1.05 -0.78 0.82 -1.70 2.47 0.15 -4.91 114.94 112.04 1a0g s ASN 118 Ca 0.45 1.32 -0.11 0.00 0.42 0.00 0.00 52.86 54.94 1a0g s ASN 118 Cb -0.18 1.70 0.09 0.00 -1.45 0.00 0.00 41.25 41.40 1a0g s ASN 118 CO 0.19 -0.22 1.09 -2.84 -3.72 0.00 0.00 177.10 171.59 1a0g s PRO 119 N 2.44 1.86 0.44 0.43 0.02 -1.26 -3.26 135.00 135.66 1a0g s PRO 119 Ca -0.06 1.02 -0.24 0.00 0.02 0.00 0.00 61.00 61.74 1a0g s PRO 119 Cb -0.10 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 1a0g s PRO 119 CO -0.17 -1.88 1.22 1.03 -0.33 0.00 0.00 177.00 176.87 1a0g s ARG 120 N -4.92 3.83 -1.02 5.54 0.52 -1.26 -4.86 118.95 116.77 1a0g s ARG 120 Ca 0.62 1.93 -0.09 0.00 -0.52 0.00 0.00 55.73 57.67 1a0g s ARG 120 Cb -0.17 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 1a0g s ARG 120 CO 0.56 -0.53 2.21 -0.35 0.02 0.00 0.00 175.30 177.21 1a0g n PRO 121 N -0.23 2.27 -0.37 3.54 -0.04 -1.26 -4.82 135.00 134.10 1a0g n PRO 121 Ca 0.06 -1.67 -0.10 0.00 -0.04 0.00 0.00 63.50 61.75 1a0g n PRO 121 Cb 0.46 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.23 1a0g n PRO 121 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a0g n LEU 122 N 4.67 -0.93 -0.22 1.53 4.77 -1.26 -1.28 117.00 124.27 1a0g n LEU 122 Ca 0.51 1.62 -0.03 0.00 -0.03 0.00 0.00 56.01 58.08 1a0g n LEU 122 Cb 0.20 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1a0g n LEU 122 CO 0.78 -1.30 1.10 -0.08 -1.33 0.00 0.00 177.39 176.56 1a0g h GLU 123 N 0.00 0.70 -0.33 3.23 4.81 -1.99 -2.54 114.58 118.45 1a0g h GLU 123 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1a0g h GLU 123 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1a0g h GLU 123 CO -0.83 0.46 0.17 -0.91 -0.73 0.00 0.00 179.01 177.18 1a0g h ASN 124 N 0.72 0.41 -0.30 1.04 2.35 -1.50 0.22 115.58 118.53 1a0g h ASN 124 Ca 0.28 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1a0g h ASN 124 Cb 0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1a0g h ASN 124 CO -0.15 0.39 0.20 -0.07 -1.65 0.00 0.00 177.43 176.15 1a0g h LEU 125 N 0.40 0.29 0.10 1.61 3.38 -1.16 0.10 115.31 120.04 1a0g h LEU 125 Ca 0.11 -0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.72 1a0g h LEU 125 Cb 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1a0g h LEU 125 CO -0.02 0.21 -2.02 1.21 0.09 0.00 0.00 178.44 177.91 1a0g n GLU 126 N -4.49 0.74 0.00 1.13 2.13 -0.97 -4.52 120.64 114.66 1a0g n GLU 126 Ca 0.02 0.25 0.11 0.00 0.66 0.00 0.00 57.16 58.20 1a0g n GLU 126 Cb 0.11 -1.70 -0.13 0.00 0.27 0.00 0.00 31.44 29.99 1a0g n GLU 126 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1a0g n LYS 127 N -3.42 0.52 0.00 5.31 5.02 0.75 -4.90 118.16 121.45 1a0g n LYS 127 Ca -0.32 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1a0g n LYS 127 Cb 1.04 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1a0g n LYS 127 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a0g n GLY 128 N 1.30 -1.57 3.34 0.72 0.00 0.35 -4.80 105.19 104.54 1a0g n GLY 128 Ca -0.02 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1a0g n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a0g s VAL 129 N -2.05 0.81 0.09 1.61 -7.23 0.15 -4.80 120.40 108.97 1a0g s VAL 129 Ca 0.00 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1a0g s VAL 129 Cb 0.00 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1a0g s VAL 129 CO 0.00 -0.11 0.33 -0.54 -0.31 0.00 0.00 175.10 174.46 1a0g s LYS 130 N -3.95 3.60 0.29 4.82 1.02 -1.26 -1.18 119.74 123.08 1a0g s LYS 130 Ca 0.34 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.25 1a0g s LYS 130 Cb 0.07 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1a0g s LYS 130 CO 0.12 0.55 0.13 0.00 -0.92 0.00 0.00 175.35 175.22 1a0g s ALA 131 N -1.51 1.96 0.02 5.17 0.00 0.82 -1.44 121.76 126.80 1a0g s ALA 131 Ca 0.35 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1a0g s ALA 131 Cb -0.13 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1a0g s ALA 131 CO 0.22 -0.46 0.01 -0.08 0.00 0.00 0.00 175.76 175.44 1a0g s THR 132 N -3.62 0.12 -0.07 0.00 -1.32 -1.06 -1.58 115.64 108.12 1a0g s THR 132 Ca 0.36 -1.02 -0.21 0.00 -1.21 0.00 0.00 61.69 59.61 1a0g s THR 132 Cb 0.06 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1a0g s THR 132 CO 0.16 -0.56 0.58 -0.36 -2.21 0.00 0.00 174.62 172.22 1a0g s PHE 133 N -1.92 3.57 -0.02 9.09 0.08 -1.26 0.17 117.98 127.70 1a0g s PHE 133 Ca -0.11 1.09 0.02 0.00 0.12 0.00 0.00 56.93 58.04 1a0g s PHE 133 Cb -0.06 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1a0g s PHE 133 CO -0.02 0.18 -0.06 0.08 -0.10 0.00 0.00 175.22 175.30 1a0g s VAL 134 N 0.51 0.50 0.11 -0.44 1.01 0.13 -4.89 120.40 117.34 1a0g s VAL 134 Ca 0.31 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1a0g s VAL 134 Cb -0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 1a0g s VAL 134 CO 0.15 0.17 1.41 -0.70 0.00 0.00 0.00 175.10 176.12 1a0g s GLU 135 N 0.17 4.31 -0.53 2.72 2.12 -1.26 -1.88 118.70 124.34 1a0g s GLU 135 Ca -0.02 2.10 -0.28 0.00 0.36 0.00 0.00 54.97 57.13 1a0g s GLU 135 Cb -0.06 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1a0g s GLU 135 CO -0.00 -0.46 1.34 0.34 -0.54 0.00 0.00 175.26 175.94 1a0g s ASP 136 N 1.15 6.29 -0.05 -1.70 -1.08 -0.29 -4.79 116.67 116.21 1a0g s ASP 136 Ca 0.65 0.38 0.13 0.00 -0.52 0.00 0.00 52.55 53.18 1a0g s ASP 136 Cb -0.37 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 38.93 1a0g s ASP 136 CO 0.30 -1.56 1.32 2.30 0.52 0.00 0.00 175.17 178.05 1a0g n ILE 137 N 6.87 1.36 -1.06 4.11 -5.35 -1.26 -4.71 119.36 119.32 1a0g n ILE 137 Ca 0.12 -1.23 -0.30 0.00 -0.27 0.00 0.00 62.75 61.08 1a0g n ILE 137 Cb 0.49 0.29 0.22 0.00 -1.74 0.00 0.00 39.64 38.91 1a0g n ILE 137 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1a0g s ARG 138 N -1.50 -0.84 1.00 6.28 0.52 -1.26 -5.04 118.95 118.12 1a0g s ARG 138 Ca 0.30 0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 1a0g s ARG 138 Cb 0.19 -1.62 0.19 0.00 0.52 0.00 0.00 34.95 34.23 1a0g s ARG 138 CO 0.15 -3.50 1.14 1.67 0.02 0.00 0.00 175.30 174.79 1a0g s TRP 139 N -2.95 1.86 -1.82 -0.53 1.48 -1.26 -4.96 118.94 110.75 1a0g s TRP 139 Ca 0.69 0.74 0.07 0.00 -1.06 0.00 0.00 56.10 56.54 1a0g s TRP 139 Cb -0.13 -3.46 0.23 0.00 -1.16 0.00 0.00 33.47 28.96 1a0g s TRP 139 CO 0.57 -2.87 1.15 1.28 -4.06 0.00 0.00 176.95 173.02 1a0g n LEU 140 N -4.09 1.55 -2.72 -4.66 4.77 -1.26 -4.08 117.00 106.50 1a0g n LEU 140 Ca 0.09 -0.78 -0.25 0.00 -0.03 0.00 0.00 56.01 55.04 1a0g n LEU 140 Cb 0.59 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1a0g n LEU 140 CO 0.53 0.35 0.13 0.54 -1.33 0.00 0.00 177.39 177.61 1a0g n ARG 141 N 0.25 3.04 0.00 3.23 5.12 -1.26 -4.70 116.66 122.33 1a0g n ARG 141 Ca 0.09 -4.49 0.06 0.00 -1.93 0.00 0.00 57.85 51.57 1a0g n ARG 141 Cb 0.27 -2.14 0.25 0.00 -1.16 0.00 0.00 32.46 29.68 1a0g n ARG 141 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a0g h ASP 143 N 0.00 0.00 -3.70 0.00 2.03 -1.55 -3.20 116.42 110.00 1a0g h ASP 143 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 1a0g h ASP 143 Cb 0.19 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.55 1a0g h ASP 143 CO 0.00 0.00 -0.27 -0.63 -1.03 0.00 0.00 179.24 177.31 1a0g s ILE 144 N -3.39 5.20 -1.26 4.15 1.01 -0.80 -4.70 121.20 121.42 1a0g s ILE 144 Ca 0.04 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 1a0g s ILE 144 Cb 0.09 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 39.01 1a0g s ILE 144 CO 0.50 0.19 1.59 -0.54 0.00 0.00 0.00 174.94 176.68 1a0g s LYS 145 N 1.90 4.04 0.54 2.79 1.02 -1.26 -4.97 119.74 123.80 1a0g s LYS 145 Ca 0.14 -2.30 0.09 0.00 0.02 0.00 0.00 55.97 53.93 1a0g s LYS 145 Cb -0.16 -5.30 0.07 0.00 -0.52 0.00 0.00 37.83 31.92 1a0g s LYS 145 CO 0.09 -2.01 0.74 -1.54 -0.92 0.00 0.00 175.35 171.71 1a0g s SER 146 N 3.53 5.22 0.00 2.83 1.04 -1.26 -2.20 113.70 122.86 1a0g s SER 146 Ca 0.48 -0.73 0.28 0.00 0.48 0.00 0.00 55.95 56.46 1a0g s SER 146 Cb 0.01 0.05 1.62 0.00 0.10 0.00 0.00 66.02 67.80 1a0g s SER 146 CO 0.04 -1.21 2.05 0.18 0.98 0.00 0.00 173.24 175.27 1a0g n LEU 147 N -2.16 0.10 -4.55 2.42 4.77 -0.33 -4.51 117.00 112.74 1a0g n LEU 147 Ca 0.14 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 1a0g n LEU 147 Cb 0.61 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1a0g n LEU 147 CO 0.40 0.02 1.75 0.20 -1.33 0.00 0.00 177.39 178.43 1a0g s ASN 148 N -1.87 6.80 -0.19 -1.43 0.02 -1.25 -4.70 114.94 112.32 1a0g s ASN 148 Ca 0.41 -2.32 0.15 0.00 -1.02 0.00 0.00 52.86 50.08 1a0g s ASN 148 Cb 0.19 -2.54 0.43 0.00 0.02 0.00 0.00 41.25 39.35 1a0g s ASN 148 CO 0.32 -1.17 1.32 0.18 0.02 0.00 0.00 177.10 177.77 1a0g n LEU 149 N 8.01 3.29 -0.05 0.60 4.77 -1.26 -4.74 117.00 127.62 1a0g n LEU 149 Ca 0.43 -3.34 -0.05 0.00 -0.03 0.00 0.00 56.01 53.02 1a0g n LEU 149 Cb 0.47 -0.53 0.16 0.00 -2.33 0.00 0.00 43.42 41.19 1a0g n LEU 149 CO 0.72 0.92 0.77 0.25 -1.33 0.00 0.00 177.39 178.72 1a0g h LEU 150 N 0.93 0.65 -0.67 2.23 5.85 -1.98 -1.06 115.31 121.25 1a0g h LEU 150 Ca 0.05 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1a0g h LEU 150 Cb 1.29 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1a0g h LEU 150 CO 0.16 0.83 0.24 1.23 -0.34 0.00 0.00 178.44 180.56 1a0g h GLY 151 N 0.98 1.10 1.47 3.75 0.00 -1.97 -1.42 103.07 106.98 1a0g h GLY 151 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1a0g h GLY 151 CO 0.04 0.58 -0.11 0.00 0.00 0.00 0.00 176.54 177.06 1a0g h ALA 152 N 1.10 1.12 -0.13 3.60 0.00 -1.80 -1.20 119.26 121.96 1a0g h ALA 152 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1a0g h ALA 152 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a0g h ALA 152 CO -0.01 0.55 0.03 0.28 0.00 0.00 0.00 179.25 180.10 1a0g h VAL 153 N 0.59 1.20 -0.65 0.00 2.07 -0.84 -0.62 116.25 118.00 1a0g h VAL 153 Ca 0.10 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1a0g h VAL 153 Cb 0.53 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1a0g h VAL 153 CO 0.03 0.19 0.18 -0.07 0.02 0.00 0.00 177.57 177.92 1a0g h LEU 154 N 0.01 0.95 0.03 2.57 3.38 -1.03 -1.52 115.31 119.70 1a0g h LEU 154 Ca 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1a0g h LEU 154 Cb 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1a0g h LEU 154 CO 0.00 0.90 -0.01 0.00 0.09 0.00 0.00 178.44 179.42 1a0g h ALA 155 N 1.22 -0.04 -0.83 1.53 0.00 -1.12 -2.02 119.26 118.00 1a0g h ALA 155 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1a0g h ALA 155 Cb 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1a0g h ALA 155 CO -0.00 -0.38 0.45 -0.22 0.00 0.00 0.00 179.25 179.09 1a0g h LYS 156 N -0.31 1.15 -0.62 0.00 1.63 -1.03 -1.70 116.57 115.69 1a0g h LYS 156 Ca -0.00 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 1a0g h LYS 156 Cb 0.29 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1a0g h LYS 156 CO 0.01 0.85 0.17 0.37 -3.45 0.00 0.00 179.45 177.39 1a0g h GLN 157 N 1.16 0.97 -0.39 1.90 5.75 -1.17 -0.11 115.11 123.21 1a0g h GLN 157 Ca 0.29 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1a0g h GLN 157 Cb 0.03 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1a0g h GLN 157 CO -0.05 0.85 0.11 1.49 -2.65 0.00 0.00 178.83 178.58 1a0g h GLU 158 N 0.93 0.61 -0.08 1.69 4.81 -0.77 -1.59 114.58 120.18 1a0g h GLU 158 Ca 0.20 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1a0g h GLU 158 Cb 0.31 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1a0g h GLU 158 CO -0.00 0.63 0.04 0.00 -0.73 0.00 0.00 179.01 178.94 1a0g h ALA 159 N 0.96 0.11 -0.91 2.92 0.00 -0.94 -2.98 119.26 118.42 1a0g h ALA 159 Ca 0.12 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1a0g h ALA 159 Cb 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1a0g h ALA 159 CO -0.00 -0.32 0.54 1.25 0.00 0.00 0.00 179.25 180.71 1a0g h HIS 160 N -0.01 0.97 0.00 0.00 -0.00 -0.92 -0.16 115.15 115.04 1a0g h HIS 160 Ca 0.03 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 1a0g h HIS 160 Cb 0.14 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1a0g h HIS 160 CO -0.02 0.37 -0.24 0.93 -0.00 0.00 0.00 177.93 178.96 1a0g h GLU 161 N 0.85 0.00 -0.34 5.26 5.08 -1.15 -2.34 114.58 121.94 1a0g h GLU 161 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1a0g h GLU 161 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1a0g h GLU 161 CO -0.27 0.24 0.00 1.63 -1.00 0.00 0.00 179.01 179.61 1a0g n LYS 162 N -3.75 2.05 -1.01 2.33 5.02 -0.72 -4.92 118.16 117.16 1a0g n LYS 162 Ca -0.01 -1.61 -0.00 0.00 -2.02 0.00 0.00 58.31 54.67 1a0g n LYS 162 Cb 0.35 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1a0g n LYS 162 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a0g n GLY 163 N 1.26 0.43 3.98 0.72 0.00 -0.88 -5.05 105.19 105.65 1a0g n GLY 163 Ca 0.17 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1a0g n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0g n TYR 165 N -1.68 0.91 -3.92 0.00 9.36 -0.52 -3.53 117.16 117.79 1a0g n TYR 165 Ca -0.02 0.24 -0.10 0.00 3.32 0.00 0.00 57.90 61.33 1a0g n TYR 165 Cb 0.58 -1.13 -0.10 0.00 -0.63 0.00 0.00 39.34 38.05 1a0g n TYR 165 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1a0g s GLU 166 N -2.56 0.49 -0.23 2.98 2.56 -1.25 -4.88 118.70 115.82 1a0g s GLU 166 Ca -0.18 -0.59 -0.09 0.00 0.00 0.00 0.00 54.97 54.11 1a0g s GLU 166 Cb 0.07 0.19 -0.04 0.00 2.00 0.00 0.00 34.13 36.35 1a0g s GLU 166 CO 0.77 -0.11 0.11 0.00 -0.56 0.00 0.00 175.26 175.46 1a0g s ALA 167 N -1.91 3.43 -0.35 6.30 0.00 -1.26 -2.56 121.76 125.41 1a0g s ALA 167 Ca -0.11 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 1a0g s ALA 167 Cb -0.05 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 1a0g s ALA 167 CO -0.01 -0.18 0.53 0.42 0.00 0.00 0.00 175.76 176.52 1a0g s ILE 168 N 1.04 5.00 0.37 0.00 1.01 0.13 -2.15 121.20 126.60 1a0g s ILE 168 Ca 0.06 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 1a0g s ILE 168 Cb -0.14 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1a0g s ILE 168 CO 0.04 -0.24 0.79 -0.76 0.00 0.00 0.00 174.94 174.76 1a0g s LEU 169 N 2.44 3.95 -0.09 2.97 1.43 -0.07 -0.69 118.68 128.62 1a0g s LEU 169 Ca 0.19 1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1a0g s LEU 169 Cb -0.15 -4.15 0.04 0.00 0.03 0.00 0.00 46.19 41.96 1a0g s LEU 169 CO 0.14 -0.31 0.21 -1.38 0.23 0.00 0.00 176.35 175.23 1a0g s HIS 170 N -2.17 -0.26 -0.23 0.29 -3.43 -0.79 -2.08 115.29 106.62 1a0g s HIS 170 Ca 0.55 0.66 -0.04 0.00 -0.80 0.00 0.00 55.06 55.42 1a0g s HIS 170 Cb -0.10 0.00 -0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1a0g s HIS 170 CO 0.22 -0.20 -0.03 0.50 -2.00 0.00 0.00 174.74 173.23 1a0g s ARG 171 N 1.14 3.32 -1.32 -0.38 6.06 0.66 -1.14 118.95 127.29 1a0g s ARG 171 Ca -0.09 -0.67 -0.06 0.00 -2.50 0.00 0.00 55.73 52.42 1a0g s ARG 171 Cb -0.10 -3.06 0.02 0.00 0.06 0.00 0.00 34.95 31.86 1a0g s ARG 171 CO -0.07 -0.24 1.04 -1.71 -2.50 0.00 0.00 175.30 171.83 1a0g n ASN 172 N 4.80 -4.16 0.00 -2.12 5.15 -1.26 -1.40 115.26 116.27 1a0g n ASN 172 Ca -0.18 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1a0g n ASN 172 Cb 0.50 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 34.95 1a0g n ASN 172 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1a0g n ASN 173 N -3.04 -1.01 -4.68 1.20 5.15 -1.26 -4.96 115.26 106.66 1a0g n ASN 173 Ca -0.12 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.49 1a0g n ASN 173 Cb 0.61 -1.97 -0.09 0.00 -0.53 0.00 0.00 39.78 37.80 1a0g n ASN 173 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1a0g s THR 174 N -1.73 5.33 0.00 -0.44 2.01 -0.49 -1.82 115.64 118.50 1a0g s THR 174 Ca 0.00 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1a0g s THR 174 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1a0g s THR 174 CO 0.00 0.34 1.46 -0.69 -0.69 0.00 0.00 174.62 175.04 1a0g s VAL 175 N 0.99 3.60 0.00 3.82 1.01 -0.24 -0.25 120.40 129.34 1a0g s VAL 175 Ca 0.11 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1a0g s VAL 175 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1a0g s VAL 175 CO 0.04 -0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.48 1a0g n THR 176 N 4.78 0.00 -3.72 3.92 -2.24 -0.88 -4.52 114.28 111.62 1a0g n THR 176 Ca 0.14 0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 62.00 1a0g n THR 176 Cb 0.43 -1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1a0g n THR 176 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1a0g n GLU 177 N -1.81 0.51 -2.90 -0.78 0.28 -1.26 -4.42 120.64 110.26 1a0g n GLU 177 Ca 0.00 -1.54 -0.19 0.00 -0.16 0.00 0.00 57.16 55.27 1a0g n GLU 177 Cb 0.00 1.62 0.04 0.00 1.43 0.00 0.00 31.44 34.53 1a0g n GLU 177 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1a0g s GLY 178 N -2.27 1.85 0.61 -1.84 0.00 0.11 -0.89 107.32 104.89 1a0g s GLY 178 Ca 0.14 -1.74 0.35 0.00 0.00 0.00 0.00 44.72 43.48 1a0g s GLY 178 CO 0.10 -1.42 2.26 1.48 0.00 0.00 0.00 173.10 175.52 1a0g h SER 179 N 0.28 0.00 0.00 1.64 4.64 -1.79 -3.20 113.55 115.12 1a0g h SER 179 Ca -0.37 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 1a0g h SER 179 Cb 1.28 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.16 1a0g h SER 179 CO 0.45 0.02 -0.63 -1.54 -0.87 0.00 0.00 176.83 174.26 1a0g n SER 180 N -3.49 0.13 -3.82 4.97 3.41 -1.26 -4.84 113.62 108.71 1a0g n SER 180 Ca -0.03 -1.90 -0.08 0.00 -0.26 0.00 0.00 58.87 56.60 1a0g n SER 180 Cb 0.11 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1a0g n SER 180 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a0g s SER 181 N -1.35 -0.12 0.14 4.04 1.04 -1.21 -4.74 113.70 111.50 1a0g s SER 181 Ca 0.15 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1a0g s SER 181 Cb 0.17 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1a0g s SER 181 CO -0.08 -1.29 0.19 0.20 0.98 0.00 0.00 173.24 173.24 1a0g s ASN 182 N -2.99 5.87 -0.10 7.02 -0.87 -0.27 0.04 114.94 123.64 1a0g s ASN 182 Ca 0.17 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 1a0g s ASN 182 Cb -0.03 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.52 1a0g s ASN 182 CO 0.09 0.08 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.91 1a0g s VAL 183 N -1.69 3.38 0.01 1.60 1.01 -1.26 -1.43 120.40 122.02 1a0g s VAL 183 Ca 0.32 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1a0g s VAL 183 Cb -0.11 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1a0g s VAL 183 CO 0.25 0.55 -0.20 -0.36 0.00 0.00 0.00 175.10 175.35 1a0g s PHE 184 N -0.18 1.75 0.02 5.22 0.40 -0.31 -4.40 117.98 120.47 1a0g s PHE 184 Ca 0.01 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1a0g s PHE 184 Cb -0.13 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 1a0g s PHE 184 CO 0.03 0.02 -0.14 0.20 0.70 0.00 0.00 175.22 176.03 1a0g s GLY 185 N -0.76 0.76 -0.12 4.36 0.00 -0.43 -1.39 107.32 109.72 1a0g s GLY 185 Ca 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1a0g s GLY 185 CO 0.00 -0.70 -0.19 -0.42 0.00 0.00 0.00 173.10 171.79 1a0g s ILE 186 N -0.68 1.78 -0.04 0.90 1.01 0.80 -0.65 121.20 124.32 1a0g s ILE 186 Ca 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1a0g s ILE 186 Cb -0.07 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1a0g s ILE 186 CO 0.01 0.50 0.05 -0.75 0.00 0.00 0.00 174.94 174.74 1a0g s LYS 187 N 0.84 0.01 -1.44 2.79 2.47 -0.92 0.02 119.74 123.51 1a0g s LYS 187 Ca -0.08 0.33 -0.05 0.00 -1.56 0.00 0.00 55.97 54.60 1a0g s LYS 187 Cb -0.15 -0.54 0.04 0.00 -1.46 0.00 0.00 37.83 35.71 1a0g s LYS 187 CO -0.00 -0.31 0.66 -0.25 0.16 0.00 0.00 175.35 175.61 1a0g n ASP 188 N 5.17 -1.85 -0.84 1.43 8.00 -1.26 -1.42 116.55 125.78 1a0g n ASP 188 Ca -0.06 -0.91 -0.11 0.00 0.71 0.00 0.00 54.79 54.42 1a0g n ASP 188 Cb 0.50 -3.48 -0.05 0.00 -0.02 0.00 0.00 41.12 38.08 1a0g n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a0g n GLY 189 N -1.73 1.22 3.33 0.44 0.00 -1.26 -5.01 105.19 102.18 1a0g n GLY 189 Ca -0.19 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1a0g n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a0g s ILE 190 N -2.38 2.29 -0.21 -0.61 1.01 -0.51 -4.39 121.20 116.40 1a0g s ILE 190 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 1a0g s ILE 190 Cb 0.00 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1a0g s ILE 190 CO 0.00 0.58 0.37 -0.22 0.00 0.00 0.00 174.94 175.66 1a0g s LEU 191 N -0.42 4.15 0.06 2.97 2.96 -0.24 -2.16 118.68 126.00 1a0g s LEU 191 Ca 0.04 0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1a0g s LEU 191 Cb -0.12 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1a0g s LEU 191 CO 0.01 -0.06 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.42 1a0g s TYR 192 N 1.30 2.37 -0.06 5.38 2.02 0.18 -0.27 117.35 128.27 1a0g s TYR 192 Ca 0.17 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.20 1a0g s TYR 192 Cb -0.15 -1.38 0.10 0.00 -0.40 0.00 0.00 41.96 40.13 1a0g s TYR 192 CO 0.08 0.19 0.85 -0.08 -1.57 0.00 0.00 175.55 175.01 1a0g s THR 193 N -0.87 0.00 0.31 -0.71 -1.32 -1.16 -1.32 115.64 110.57 1a0g s THR 193 Ca 0.13 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 1a0g s THR 193 Cb -0.10 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 1a0g s THR 193 CO 0.03 0.00 1.50 -2.28 -2.21 0.00 0.00 174.62 171.66 1a0g s HIS 194 N -1.90 2.79 0.89 9.09 2.46 -1.26 -2.36 115.29 124.99 1a0g s HIS 194 Ca -0.02 1.01 -0.11 0.00 0.47 0.00 0.00 55.06 56.41 1a0g s HIS 194 Cb -0.01 -3.96 0.13 0.00 -0.13 0.00 0.00 32.58 28.61 1a0g s HIS 194 CO -0.00 -3.05 1.11 -1.25 -2.47 0.00 0.00 174.74 169.07 1a0g s PRO 195 N -1.07 1.30 -1.25 2.88 0.04 -1.25 -4.88 135.00 130.76 1a0g s PRO 195 Ca 0.58 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 1a0g s PRO 195 Cb -0.45 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.43 1a0g s PRO 195 CO 0.52 -2.33 1.58 0.00 0.04 0.00 0.00 177.00 176.80 1a0g s ALA 196 N -2.77 3.66 0.00 8.56 0.00 -1.26 -4.76 121.76 125.19 1a0g s ALA 196 Ca 0.64 -3.13 0.00 0.00 0.00 0.00 0.00 51.96 49.47 1a0g s ALA 196 Cb -0.20 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1a0g s ALA 196 CO 0.58 -3.04 0.00 0.27 0.00 0.00 0.00 175.76 173.57 1a0g n ASN 197 N 7.01 0.39 0.00 0.00 0.23 -1.26 -5.01 115.26 116.62 1a0g n ASN 197 Ca 0.42 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.58 1a0g n ASN 197 Cb 0.44 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.63 1a0g n ASN 197 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1a0g n ASN 198 N 0.00 0.00 0.14 0.53 6.94 -1.26 -3.26 115.26 118.35 1a0g n ASN 198 Ca 0.00 0.29 0.12 0.00 -0.02 0.00 0.00 54.58 54.98 1a0g n ASN 198 Cb 0.00 -0.41 0.26 0.00 -2.36 0.00 0.00 39.78 37.27 1a0g n ASN 198 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1a0g h MET 199 N 0.00 0.00 -4.11 -3.83 2.86 -1.90 0.11 114.93 108.05 1a0g h MET 199 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1a0g h MET 199 Cb 0.30 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.82 1a0g h MET 199 CO 0.00 0.00 -0.47 0.96 1.06 0.00 0.00 176.91 178.46 1a0g s ILE 200 N -3.17 0.09 0.01 -1.22 -4.36 -1.20 -4.75 121.20 106.60 1a0g s ILE 200 Ca 0.08 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.66 1a0g s ILE 200 Cb 0.09 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 1a0g s ILE 200 CO 0.65 -0.41 0.61 0.00 0.24 0.00 0.00 174.94 176.04 1a0g s ALA 201 N -3.99 3.48 -1.17 2.27 0.00 -1.21 -3.28 121.76 117.86 1a0g s ALA 201 Ca 0.19 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1a0g s ALA 201 Cb 0.05 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.50 1a0g s ALA 201 CO -0.00 0.17 1.53 0.21 0.00 0.00 0.00 175.76 177.67 1a0g s LYS 202 N -0.25 3.88 0.42 0.00 2.20 -1.26 -4.96 119.74 119.77 1a0g s LYS 202 Ca 0.32 -1.91 -0.26 0.00 -0.36 0.00 0.00 55.97 53.76 1a0g s LYS 202 Cb -0.19 -5.32 -0.09 0.00 -1.51 0.00 0.00 37.83 30.72 1a0g s LYS 202 CO 0.18 -2.08 1.45 0.41 -0.36 0.00 0.00 175.35 174.95 1a0g n GLY 203 N 5.45 1.08 0.26 5.54 0.00 -1.26 -4.94 105.19 111.33 1a0g n GLY 203 Ca 0.40 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 1a0g n GLY 203 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a0g h ILE 204 N 2.55 1.25 -0.27 -0.61 1.08 -1.97 -2.14 117.51 117.40 1a0g h ILE 204 Ca -0.51 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1a0g h ILE 204 Cb 1.26 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1a0g h ILE 204 CO 0.62 0.35 -0.02 0.74 -0.69 0.00 0.00 178.15 179.15 1a0g h THR 205 N 0.76 1.18 -0.50 -0.27 2.02 -1.92 -0.15 112.91 114.02 1a0g h THR 205 Ca 0.16 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1a0g h THR 205 Cb 0.42 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1a0g h THR 205 CO 0.01 0.24 0.29 -0.09 0.37 0.00 0.00 175.52 176.34 1a0g h ARG 206 N 0.39 0.69 -0.19 6.66 2.43 -1.76 0.14 114.38 122.74 1a0g h ARG 206 Ca 0.09 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1a0g h ARG 206 Cb 0.30 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1a0g h ARG 206 CO 0.01 0.51 -0.44 -0.44 -1.51 0.00 0.00 179.97 178.10 1a0g h ASP 207 N 0.67 0.50 -0.33 -3.80 5.19 -0.71 -1.94 116.42 116.02 1a0g h ASP 207 Ca 0.18 -0.23 -0.11 0.00 -0.62 0.00 0.00 57.03 56.24 1a0g h ASP 207 Cb 0.01 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1a0g h ASP 207 CO -0.03 0.88 -0.21 0.58 -3.12 0.00 0.00 179.24 177.34 1a0g h VAL 208 N 0.38 1.27 -0.34 -1.35 2.07 -0.49 -1.20 116.25 116.59 1a0g h VAL 208 Ca 0.03 -1.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 1a0g h VAL 208 Cb 0.93 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1a0g h VAL 208 CO 0.08 0.44 -0.35 0.58 0.02 0.00 0.00 177.57 178.34 1a0g h VAL 209 N 0.71 1.28 -0.55 2.57 2.07 -0.60 -0.54 116.25 121.19 1a0g h VAL 209 Ca 0.10 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.00 1a0g h VAL 209 Cb 0.72 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1a0g h VAL 209 CO 0.06 0.50 -0.08 0.40 0.02 0.00 0.00 177.57 178.47 1a0g h ILE 210 N 0.65 1.27 -0.77 4.57 2.04 -1.19 -0.33 117.51 123.74 1a0g h ILE 210 Ca 0.06 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1a0g h ILE 210 Cb 0.90 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1a0g h ILE 210 CO 0.08 0.43 0.30 0.00 0.00 0.00 0.00 178.15 178.97 1a0g h ALA 211 N 0.99 1.08 -0.56 1.87 0.00 -1.02 -1.32 119.26 120.30 1a0g h ALA 211 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1a0g h ALA 211 Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a0g h ALA 211 CO 0.04 0.65 0.07 0.00 0.00 0.00 0.00 179.25 180.01 1a0g h ALA 213 N 1.21 0.53 -0.85 0.00 0.00 -0.57 -1.86 119.26 117.72 1a0g h ALA 213 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a0g h ALA 213 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1a0g h ALA 213 CO 0.01 0.43 0.46 -0.91 0.00 0.00 0.00 179.25 179.24 1a0g h ASN 214 N 0.57 1.06 -0.42 0.00 2.35 -1.09 0.21 115.58 118.26 1a0g h ASN 214 Ca 0.09 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1a0g h ASN 214 Cb 0.65 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1a0g h ASN 214 CO 0.04 0.85 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.30 1a0g h GLU 215 N 1.19 0.84 -0.62 0.81 5.08 -1.08 -2.18 114.58 118.64 1a0g h GLU 215 Ca 0.30 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1a0g h GLU 215 Cb 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1a0g h GLU 215 CO -0.05 0.87 0.00 0.44 -1.00 0.00 0.00 179.01 179.28 1a0g n ILE 216 N -4.19 1.11 -3.62 3.13 -5.35 -0.72 -4.91 119.36 104.82 1a0g n ILE 216 Ca 0.02 -0.68 -0.24 0.00 -0.27 0.00 0.00 62.75 61.58 1a0g n ILE 216 Cb 0.34 -0.10 0.08 0.00 -1.74 0.00 0.00 39.64 38.22 1a0g n ILE 216 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1a0g n ASN 217 N 0.50 -6.28 -4.62 7.28 3.02 -0.82 -4.99 115.26 109.34 1a0g n ASN 217 Ca 0.15 -0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 53.79 1a0g n ASN 217 Cb 0.59 -4.97 -0.10 0.00 -0.61 0.00 0.00 39.78 34.69 1a0g n ASN 217 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1a0g s MET 218 N -6.33 3.97 0.33 3.52 1.75 0.70 -5.02 119.30 118.22 1a0g s MET 218 Ca 0.59 -0.34 -0.29 0.00 -1.25 0.00 0.00 55.69 54.40 1a0g s MET 218 Cb -0.26 -3.28 -0.11 0.00 2.84 0.00 0.00 34.83 34.02 1a0g s MET 218 CO 0.74 0.20 1.40 -2.14 -0.65 0.00 0.00 175.02 174.56 1a0g s PRO 219 N 0.58 4.25 -0.08 4.11 0.02 -1.26 -4.14 135.00 138.49 1a0g s PRO 219 Ca 0.04 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.46 1a0g s PRO 219 Cb -0.13 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 1a0g s PRO 219 CO 0.01 -0.35 -0.23 0.08 -0.33 0.00 0.00 177.00 176.17 1a0g s VAL 220 N -0.90 1.98 -0.22 3.83 1.01 -1.26 -1.07 120.40 123.76 1a0g s VAL 220 Ca 0.52 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1a0g s VAL 220 Cb -0.43 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.32 1a0g s VAL 220 CO 0.54 0.54 -0.02 -0.54 0.00 0.00 0.00 175.10 175.63 1a0g s LYS 221 N 0.20 1.29 -1.45 2.72 1.02 0.63 -4.97 119.74 119.17 1a0g s LYS 221 Ca -0.14 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1a0g s LYS 221 Cb -0.16 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1a0g s LYS 221 CO 0.07 -0.63 2.48 0.39 -0.92 0.00 0.00 175.35 176.74 1a0g n GLU 222 N 4.79 3.78 -5.12 1.68 1.02 -1.26 -3.01 120.64 122.52 1a0g n GLU 222 Ca -0.11 -2.86 -0.32 0.00 -0.02 0.00 0.00 57.16 53.86 1a0g n GLU 222 Cb 0.45 -2.87 -0.15 0.00 -0.02 0.00 0.00 31.44 28.85 1a0g n GLU 222 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1a0g s ILE 223 N 1.14 2.43 0.63 -3.67 -4.36 -1.00 -3.86 121.20 112.51 1a0g s ILE 223 Ca 0.56 -0.94 -0.16 0.00 -0.26 0.00 0.00 60.65 59.84 1a0g s ILE 223 Cb 0.16 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 1a0g s ILE 223 CO -0.06 0.57 1.12 -2.16 0.24 0.00 0.00 174.94 174.65 1a0g s PRO 224 N -0.36 2.94 0.05 0.37 0.04 -1.26 -4.04 135.00 132.73 1a0g s PRO 224 Ca 0.03 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1a0g s PRO 224 Cb -0.12 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1a0g s PRO 224 CO 0.02 -1.16 -0.10 -0.59 0.04 0.00 0.00 177.00 175.21 1a0g s PHE 225 N -2.12 0.84 0.88 0.56 -0.71 -1.26 -5.02 117.98 111.15 1a0g s PHE 225 Ca 0.69 -0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.00 1a0g s PHE 225 Cb -0.22 -0.49 0.15 0.00 -1.21 0.00 0.00 43.02 41.24 1a0g s PHE 225 CO 0.37 -0.03 1.23 0.95 -1.34 0.00 0.00 175.22 176.39 1a0g s THR 226 N -1.26 2.04 0.19 -4.49 -4.23 -1.26 -1.08 115.64 105.55 1a0g s THR 226 Ca -0.07 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1a0g s THR 226 Cb -0.10 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1a0g s THR 226 CO 0.01 0.00 1.80 0.71 -0.54 0.00 0.00 174.62 176.60 1a0g h THR 227 N -1.29 1.21 -0.77 3.99 1.35 -1.73 -0.85 112.91 114.82 1a0g h THR 227 Ca -0.44 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1a0g h THR 227 Cb 1.27 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 1a0g h THR 227 CO 0.48 0.24 0.48 0.45 -0.25 0.00 0.00 175.52 176.92 1a0g h HIS 228 N 0.92 1.00 -0.29 4.73 3.86 -1.94 -2.78 115.15 120.66 1a0g h HIS 228 Ca 0.24 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.30 1a0g h HIS 228 Cb 0.05 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1a0g h HIS 228 CO -0.00 0.65 -0.45 0.93 0.86 0.00 0.00 177.93 179.92 1a0g h GLU 229 N 1.05 0.74 -0.60 2.45 5.08 -1.84 -3.23 114.58 118.23 1a0g h GLU 229 Ca 0.28 -0.41 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1a0g h GLU 229 Cb -0.07 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1a0g h GLU 229 CO -0.06 1.03 0.29 0.00 -1.00 0.00 0.00 179.01 179.28 1a0g h ALA 230 N 0.90 0.79 0.00 3.43 0.00 -0.91 -0.86 119.26 122.61 1a0g h ALA 230 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a0g h ALA 230 Cb 1.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a0g h ALA 230 CO 0.10 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1a0g n LEU 231 N -4.88 0.39 -0.96 0.00 4.77 -1.07 -1.53 117.00 113.72 1a0g n LEU 231 Ca 0.07 0.62 0.10 0.00 -0.03 0.00 0.00 56.01 56.78 1a0g n LEU 231 Cb 0.19 -0.61 0.16 0.00 -2.33 0.00 0.00 43.42 40.83 1a0g n LEU 231 CO 0.27 -0.57 0.64 0.29 -1.33 0.00 0.00 177.39 176.68 1a0g n LYS 232 N -1.96 2.20 -1.42 3.23 5.02 -0.35 -4.72 118.16 120.15 1a0g n LYS 232 Ca 0.01 -2.02 -0.32 0.00 -2.02 0.00 0.00 58.31 53.97 1a0g n LYS 232 Cb 0.13 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1a0g n LYS 232 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1a0g s MET 233 N -1.47 2.45 0.03 1.97 -1.94 -0.58 -4.96 119.30 114.80 1a0g s MET 233 Ca 0.31 1.22 -0.13 0.00 -1.71 0.00 0.00 55.69 55.39 1a0g s MET 233 Cb 0.19 -1.92 -0.34 0.00 2.01 0.00 0.00 34.83 34.78 1a0g s MET 233 CO 0.27 -1.50 1.00 -0.44 -0.01 0.00 0.00 175.02 174.33 1a0g h ASP 234 N -0.77 0.73 -5.18 3.03 3.32 -0.73 -3.37 116.42 113.45 1a0g h ASP 234 Ca -0.44 -0.81 -0.12 0.00 0.02 0.00 0.00 57.03 55.68 1a0g h ASP 234 Cb 1.23 -0.24 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 1a0g h ASP 234 CO 0.52 1.64 -0.62 -1.61 -1.72 0.00 0.00 179.24 177.45 1a0g s GLU 235 N -2.61 0.61 -0.12 3.56 2.02 -0.84 -4.56 118.70 116.76 1a0g s GLU 235 Ca -0.09 -1.05 -0.18 0.00 0.02 0.00 0.00 54.97 53.67 1a0g s GLU 235 Cb 0.05 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.54 1a0g s GLU 235 CO 0.92 -0.13 0.46 -1.17 0.02 0.00 0.00 175.26 175.36 1a0g s LEU 236 N -2.64 0.25 0.12 1.80 2.96 -1.26 -0.14 118.68 119.76 1a0g s LEU 236 Ca 0.03 0.69 -0.25 0.00 -0.22 0.00 0.00 54.13 54.38 1a0g s LEU 236 Cb 0.04 1.66 0.07 0.00 0.50 0.00 0.00 46.19 48.46 1a0g s LEU 236 CO -0.08 -0.30 0.62 0.72 -1.32 0.00 0.00 176.35 175.98 1a0g s PHE 237 N -0.37 -0.56 0.12 5.38 -0.12 -0.49 -1.02 117.98 120.92 1a0g s PHE 237 Ca -0.05 0.49 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 1a0g s PHE 237 Cb -0.03 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1a0g s PHE 237 CO 0.03 -0.80 -0.08 0.14 -0.05 0.00 0.00 175.22 174.46 1a0g s VAL 238 N -3.23 3.43 0.01 -2.49 -7.23 -0.13 -1.17 120.40 109.58 1a0g s VAL 238 Ca -0.01 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1a0g s VAL 238 Cb -0.01 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1a0g s VAL 238 CO -0.08 0.06 -0.15 0.42 -0.31 0.00 0.00 175.10 175.03 1a0g s THR 239 N -1.33 1.22 0.09 5.32 -4.23 -0.51 -1.24 115.64 114.95 1a0g s THR 239 Ca 0.23 -0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 59.65 1a0g s THR 239 Cb -0.11 -1.05 0.08 0.00 1.34 0.00 0.00 72.50 72.77 1a0g s THR 239 CO 0.15 0.21 0.88 -0.94 -0.54 0.00 0.00 174.62 174.37 1a0g s SER 240 N -0.71 -0.31 0.28 3.99 1.04 -1.09 -1.12 113.70 115.79 1a0g s SER 240 Ca 0.05 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1a0g s SER 240 Cb -0.07 0.47 0.52 0.00 0.10 0.00 0.00 66.02 67.04 1a0g s SER 240 CO 0.00 -0.81 1.86 0.74 0.98 0.00 0.00 173.24 176.02 1a0g h THR 241 N 2.00 0.98 0.00 2.02 2.02 -1.89 0.14 112.91 118.19 1a0g h THR 241 Ca -0.24 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 1a0g h THR 241 Cb 1.25 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1a0g h THR 241 CO 0.29 0.19 -1.49 0.35 0.37 0.00 0.00 175.52 175.23 1a0g n THR 242 N -4.56 0.88 0.45 3.16 -2.24 -1.26 -4.19 114.28 106.53 1a0g n THR 242 Ca 0.17 -0.64 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1a0g n THR 242 Cb 0.29 -0.50 0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1a0g n THR 242 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a0g n SER 243 N -2.73 0.66 0.00 3.42 7.64 -1.10 -4.61 113.62 116.91 1a0g n SER 243 Ca -0.09 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1a0g n SER 243 Cb 0.76 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1a0g n SER 243 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a0g n GLU 244 N -2.17 0.00 -3.86 1.43 1.02 0.48 -3.25 120.64 114.30 1a0g n GLU 244 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 1a0g n GLU 244 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.76 1a0g n GLU 244 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1a0g s ILE 245 N 0.00 3.01 -0.40 -3.67 1.01 -1.26 -2.67 121.20 117.23 1a0g s ILE 245 Ca 0.00 -2.80 -0.15 0.00 0.00 0.00 0.00 60.65 57.70 1a0g s ILE 245 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1a0g s ILE 245 CO 0.00 -0.77 0.31 -0.89 0.00 0.00 0.00 174.94 173.59 1a0g s THR 246 N 0.26 5.24 0.30 2.92 2.01 -0.37 -4.77 115.64 121.22 1a0g s THR 246 Ca 0.14 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1a0g s THR 246 Cb -0.22 -3.91 -0.11 0.00 0.01 0.00 0.00 72.50 68.27 1a0g s THR 246 CO -0.03 -0.27 1.56 -2.84 -0.69 0.00 0.00 174.62 172.34 1a0g s PRO 247 N 1.76 4.14 -0.21 4.92 0.02 -1.26 -0.96 135.00 143.40 1a0g s PRO 247 Ca 0.06 2.54 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 1a0g s PRO 247 Cb -0.18 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1a0g s PRO 247 CO 0.11 -0.59 0.01 0.08 -0.33 0.00 0.00 177.00 176.28 1a0g s VAL 248 N -0.21 3.95 -0.85 3.83 1.01 -0.19 0.31 120.40 128.26 1a0g s VAL 248 Ca 0.61 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1a0g s VAL 248 Cb -0.47 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1a0g s VAL 248 CO 0.50 0.41 0.66 2.30 0.00 0.00 0.00 175.10 178.97 1a0g n ILE 249 N 4.45 0.00 -3.64 2.22 -5.35 -0.33 -4.19 119.36 112.52 1a0g n ILE 249 Ca -0.17 -0.47 -0.10 0.00 -0.27 0.00 0.00 62.75 61.74 1a0g n ILE 249 Cb 0.52 1.13 -0.07 0.00 -1.74 0.00 0.00 39.64 39.48 1a0g n ILE 249 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1a0g s GLU 250 N -0.82 0.68 -0.17 6.28 2.12 -1.24 -2.28 118.70 123.28 1a0g s GLU 250 Ca 0.08 0.93 -0.00 0.00 0.36 0.00 0.00 54.97 56.34 1a0g s GLU 250 Cb 0.06 0.27 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1a0g s GLU 250 CO 0.13 -0.10 -0.07 0.42 -0.54 0.00 0.00 175.26 175.10 1a0g s ILE 251 N 0.76 1.24 -1.35 -3.70 1.01 -0.00 -0.12 121.20 119.03 1a0g s ILE 251 Ca -0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1a0g s ILE 251 Cb -0.05 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1a0g s ILE 251 CO -0.08 0.17 0.60 0.47 0.00 0.00 0.00 174.94 176.10 1a0g n ASP 252 N 4.83 -0.90 -1.01 3.58 8.00 -0.61 -1.65 116.55 128.80 1a0g n ASP 252 Ca -0.13 -0.89 -0.11 0.00 0.71 0.00 0.00 54.79 54.37 1a0g n ASP 252 Cb 0.48 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 1a0g n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a0g n GLY 253 N -1.73 0.81 2.92 0.44 0.00 -1.26 -5.00 105.19 101.36 1a0g n GLY 253 Ca -0.30 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1a0g n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0g s LYS 254 N -3.49 1.60 0.31 1.61 1.02 -0.66 -5.12 119.74 115.01 1a0g s LYS 254 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1a0g s LYS 254 Cb 0.00 -1.64 -0.10 0.00 -0.52 0.00 0.00 37.83 35.57 1a0g s LYS 254 CO 0.00 -0.26 1.13 -0.51 -0.92 0.00 0.00 175.35 174.79 1a0g s LEU 255 N 1.69 4.48 -0.47 3.17 1.43 -1.26 -0.82 118.68 126.89 1a0g s LEU 255 Ca 0.05 2.32 -0.24 0.00 -1.03 0.00 0.00 54.13 55.23 1a0g s LEU 255 Cb -0.13 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.42 1a0g s LEU 255 CO -0.08 -0.27 0.86 -0.63 0.23 0.00 0.00 176.35 176.46 1a0g s ILE 256 N -1.21 4.55 0.00 -0.59 -1.09 -0.96 -4.83 121.20 117.05 1a0g s ILE 256 Ca 0.47 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1a0g s ILE 256 Cb -0.32 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.16 1a0g s ILE 256 CO 0.42 -0.82 0.00 -1.14 -1.23 0.00 0.00 174.94 172.17 1a0g n ARG 257 N 6.99 0.00 -0.09 2.79 0.63 -1.26 -1.28 116.66 124.44 1a0g n ARG 257 Ca 0.04 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.08 1a0g n ARG 257 Cb 0.48 0.00 0.28 0.00 0.45 0.00 0.00 32.46 33.67 1a0g n ARG 257 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1a0g n ASP 258 N 10.02 2.55 0.00 6.15 5.75 -1.26 -4.93 116.55 134.82 1a0g n ASP 258 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1a0g n ASP 258 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1a0g n ASP 258 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0g n GLY 259 N 1.31 0.43 3.48 6.12 0.00 -0.40 -5.05 105.19 111.08 1a0g n GLY 259 Ca 0.17 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1a0g n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0g s LYS 260 N -1.86 1.72 0.17 1.61 -0.14 -1.26 -4.92 119.74 115.06 1a0g s LYS 260 Ca 0.00 -1.65 -0.30 0.00 -1.36 0.00 0.00 55.97 52.66 1a0g s LYS 260 Cb 0.00 -1.85 -0.08 0.00 -1.68 0.00 0.00 37.83 34.22 1a0g s LYS 260 CO 0.00 0.36 1.35 0.08 -0.76 0.00 0.00 175.35 176.37 1a0g s VAL 261 N -2.23 3.21 0.73 3.17 1.01 -1.26 -4.96 120.40 120.07 1a0g s VAL 261 Ca 0.27 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 1a0g s VAL 261 Cb -0.06 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1a0g s VAL 261 CO 0.14 0.12 1.11 -0.83 0.00 0.00 0.00 175.10 175.64 1a0g s GLY 262 N 0.62 1.62 0.25 4.51 0.00 -1.26 -4.94 107.32 108.11 1a0g s GLY 262 Ca 0.60 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 1a0g s GLY 262 CO 0.36 -0.01 1.82 1.05 0.00 0.00 0.00 173.10 176.32 1a0g h GLU 263 N -0.73 1.06 -0.02 2.90 4.11 -1.97 -2.32 114.58 117.61 1a0g h GLU 263 Ca -0.45 -0.19 -0.15 0.00 0.07 0.00 0.00 59.36 58.64 1a0g h GLU 263 Cb 1.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1a0g h GLU 263 CO 0.64 0.87 -0.70 -1.49 0.07 0.00 0.00 179.01 178.40 1a0g h TRP 264 N 1.04 0.14 -0.22 2.06 4.06 -1.99 -1.41 115.95 119.64 1a0g h TRP 264 Ca 0.24 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 1a0g h TRP 264 Cb 0.21 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1a0g h TRP 264 CO 0.02 0.77 0.01 1.15 -3.56 0.00 0.00 178.44 176.82 1a0g h THR 265 N 0.07 1.25 -0.57 1.49 2.02 -1.89 0.07 112.91 115.35 1a0g h THR 265 Ca -0.01 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1a0g h THR 265 Cb 1.24 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1a0g h THR 265 CO 0.10 0.27 0.35 0.03 0.37 0.00 0.00 175.52 176.64 1a0g h ARG 266 N 0.15 0.68 -0.11 6.66 2.47 -1.36 0.10 114.38 122.97 1a0g h ARG 266 Ca 0.06 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1a0g h ARG 266 Cb 0.39 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1a0g h ARG 266 CO 0.01 0.45 0.05 0.87 0.56 0.00 0.00 179.97 181.92 1a0g h LYS 267 N 0.70 0.15 -0.52 0.04 1.57 -1.01 -0.68 116.57 116.83 1a0g h LYS 267 Ca 0.22 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1a0g h LYS 267 Cb -0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1a0g h LYS 267 CO -0.08 0.21 0.35 -0.07 -0.57 0.00 0.00 179.45 179.28 1a0g h LEU 268 N 0.06 0.46 -0.28 2.94 3.38 -0.45 -0.52 115.31 120.91 1a0g h LEU 268 Ca 0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1a0g h LEU 268 Cb 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a0g h LEU 268 CO -0.01 0.31 -0.28 1.56 0.09 0.00 0.00 178.44 180.12 1a0g h GLN 269 N 0.53 0.68 -0.76 1.13 4.20 -0.38 -1.23 115.11 119.28 1a0g h GLN 269 Ca 0.22 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 1a0g h GLN 269 Cb 0.20 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1a0g h GLN 269 CO -0.06 0.97 0.28 0.87 -0.67 0.00 0.00 178.83 180.22 1a0g h LYS 270 N 0.42 1.15 -0.14 1.46 1.79 -0.05 -1.53 116.57 119.67 1a0g h LYS 270 Ca 0.04 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 58.17 1a0g h LYS 270 Cb 0.84 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1a0g h LYS 270 CO 0.07 0.94 -0.46 0.37 -1.08 0.00 0.00 179.45 179.29 1a0g h GLN 271 N 1.11 0.34 -0.59 3.15 5.75 -1.06 -2.88 115.11 120.93 1a0g h GLN 271 Ca 0.25 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 1a0g h GLN 271 Cb 0.24 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1a0g h GLN 271 CO -0.02 0.74 0.01 0.35 -2.65 0.00 0.00 178.83 177.26 1a0g h PHE 272 N 0.27 1.10 -0.30 3.99 3.57 -0.78 -2.98 116.94 121.82 1a0g h PHE 272 Ca 0.02 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.38 1a0g h PHE 272 Cb 0.92 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1a0g h PHE 272 CO 0.02 0.97 0.20 1.49 -2.23 0.00 0.00 178.31 178.76 1a0g h GLU 273 N 0.93 0.20 0.00 1.11 4.57 -1.07 -1.22 114.58 119.11 1a0g h GLU 273 Ca 0.17 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1a0g h GLU 273 Cb 0.53 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1a0g h GLU 273 CO 0.03 0.14 0.00 0.25 -1.18 0.00 0.00 179.01 178.24 1a0g n THR 274 N -4.49 0.82 0.21 0.32 -2.24 -1.12 -2.89 114.28 104.89 1a0g n THR 274 Ca 0.03 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 1a0g n THR 274 Cb 0.22 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 1a0g n THR 274 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a0g n LYS 275 N -1.70 0.52 -2.05 -0.78 5.02 -0.46 -4.93 118.16 113.78 1a0g n LYS 275 Ca 0.04 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 1a0g n LYS 275 Cb 0.22 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1a0g n LYS 275 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a0g s ILE 276 N -3.38 2.77 0.14 -0.18 1.01 -1.14 -4.95 121.20 115.47 1a0g s ILE 276 Ca -0.03 0.64 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 1a0g s ILE 276 Cb 0.13 -3.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 1a0g s ILE 276 CO 0.85 0.10 1.62 -2.16 0.00 0.00 0.00 174.94 175.36 1a0g s PRO 277 N -0.36 4.20 0.13 2.79 0.04 -1.26 -5.01 135.00 135.52 1a0g s PRO 277 Ca 0.58 2.39 -0.13 0.00 0.04 0.00 0.00 61.00 63.89 1a0g s PRO 277 Cb -0.41 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 30.86 1a0g s PRO 277 CO 0.42 -0.67 0.33 0.15 0.04 0.00 0.00 177.00 177.27 1a0g s LYS 278 N 1.64 1.05 0.00 4.56 1.02 -1.26 -4.89 119.74 121.86 1a0g s LYS 278 Ca 0.72 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1a0g s LYS 278 Cb -0.43 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1a0g s LYS 278 CO 0.32 -0.39 0.00 -0.35 -0.92 0.00 0.00 175.35 174.01 1a0g n PRO 279 N -0.18 3.30 0.00 -1.68 -0.04 -1.26 -5.04 135.00 130.10 1a0g n PRO 279 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1a0g n PRO 279 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 1a0g n PRO 279 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1a0g n LEU 280 N 0.00 0.00 0.00 1.53 7.94 -1.26 -4.96 117.00 120.25 1a0g n LEU 280 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1a0g n LEU 280 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1a0g n LEU 280 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1a0g n HIS 281 N 0.00 0.00 0.01 1.96 1.44 -1.26 -5.38 115.22 111.99 1a0g n HIS 281 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1a0g n HIS 281 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1a0g n HIS 281 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64