#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2au7 h LEU 2 N 0.00 0.00 -2.15 1.04 3.38 -1.95 -1.58 115.31 114.04 2au7 h LEU 2 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2au7 h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2au7 h LEU 2 CO 0.00 0.01 -0.03 -0.07 0.09 0.00 0.00 178.44 178.44 2au7 h LEU 3 N 0.00 0.00 -1.97 1.67 3.38 -1.95 -2.80 115.31 113.64 2au7 h LEU 3 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2au7 h LEU 3 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2au7 h LEU 3 CO 0.00 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.15 2au7 n ASN 4 N -3.21 2.96 -4.75 -0.43 5.03 -0.60 -4.93 115.26 109.33 2au7 n ASN 4 Ca -0.01 -1.92 -0.41 0.00 0.87 0.00 0.00 54.58 53.11 2au7 n ASN 4 Cb 0.20 -0.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 2au7 n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2au7 s VAL 5 N -1.65 3.44 0.84 2.41 1.01 -1.06 -4.99 120.40 120.39 2au7 s VAL 5 Ca 0.36 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.60 2au7 s VAL 5 Cb 0.21 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2au7 s VAL 5 CO 0.30 0.30 1.17 -2.84 0.00 0.00 0.00 175.10 174.04 2au7 s PRO 6 N -1.16 1.50 0.30 2.72 0.02 -1.26 -4.77 135.00 132.35 2au7 s PRO 6 Ca 0.47 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2au7 s PRO 6 Cb -0.33 -1.77 0.52 0.00 0.02 0.00 0.00 34.50 32.94 2au7 s PRO 6 CO 0.41 -2.29 1.93 0.00 -0.33 0.00 0.00 177.00 176.73 2au7 h ALA 7 N -1.23 1.50 0.00 -1.55 0.00 -1.90 -3.42 119.26 112.66 2au7 h ALA 7 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2au7 h ALA 7 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2au7 h ALA 7 CO 0.45 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.51 2au7 n GLY 8 N -1.40 1.08 0.26 0.00 0.00 -1.26 -1.10 105.19 102.77 2au7 n GLY 8 Ca 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2au7 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2au7 h LYS 9 N 0.00 0.60 -0.98 1.61 1.57 -1.82 -3.40 116.57 114.14 2au7 h LYS 9 Ca 0.00 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 2au7 h LYS 9 Cb 0.00 -0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.08 2au7 h LYS 9 CO 0.00 0.71 -0.51 -3.47 -0.57 0.00 0.00 179.45 175.60 2au7 n ASP 10 N -4.19 -3.30 -4.75 0.86 2.03 -0.68 -5.04 116.55 101.48 2au7 n ASP 10 Ca 0.01 -2.93 -0.36 0.00 0.52 0.00 0.00 54.79 52.03 2au7 n ASP 10 Cb 0.34 1.67 0.04 0.00 -0.72 0.00 0.00 41.12 42.44 2au7 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2au7 s LEU 11 N 0.72 3.68 0.00 -2.67 1.02 -1.22 -1.21 118.68 119.00 2au7 s LEU 11 Ca 0.30 2.43 0.27 0.00 0.02 0.00 0.00 54.13 57.15 2au7 s LEU 11 Cb 0.02 -4.57 0.92 0.00 0.02 0.00 0.00 46.19 42.58 2au7 s LEU 11 CO -0.07 -1.60 1.67 -0.81 0.02 0.00 0.00 176.35 175.56 2au7 n PRO 12 N -1.53 1.76 0.14 1.29 -0.04 -1.26 -4.86 135.00 130.49 2au7 n PRO 12 Ca 0.13 -1.10 0.09 0.00 -0.04 0.00 0.00 63.50 62.58 2au7 n PRO 12 Cb 0.49 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2au7 n PRO 12 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2au7 h GLU 13 N 2.64 0.00 -3.55 0.54 4.57 -1.82 -3.42 114.58 113.55 2au7 h GLU 13 Ca 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 2au7 h GLU 13 Cb 0.56 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.75 2au7 h GLU 13 CO 0.00 0.12 -0.76 0.34 -1.18 0.00 0.00 179.01 177.53 2au7 s ASP 14 N -5.90 3.84 0.28 1.04 -1.08 -0.35 -4.28 116.67 110.22 2au7 s ASP 14 Ca 0.03 -1.49 0.10 0.00 -0.52 0.00 0.00 52.55 50.67 2au7 s ASP 14 Cb 0.07 -0.81 -0.05 0.00 -1.46 0.00 0.00 42.92 40.67 2au7 s ASP 14 CO 0.74 -0.39 -0.14 0.27 0.52 0.00 0.00 175.17 176.17 2au7 s ILE 15 N 1.67 2.13 -0.11 4.11 -4.36 -0.62 -1.68 121.20 122.34 2au7 s ILE 15 Ca 0.08 -2.27 -0.01 0.00 -0.26 0.00 0.00 60.65 58.18 2au7 s ILE 15 Cb -0.17 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 2au7 s ILE 15 CO -0.23 -0.38 -0.04 -0.31 0.24 0.00 0.00 174.94 174.22 2au7 s TYR 16 N -2.71 3.02 -0.17 1.37 2.02 -0.26 -0.74 117.35 119.87 2au7 s TYR 16 Ca 0.29 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.91 2au7 s TYR 16 Cb -0.01 -1.82 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2au7 s TYR 16 CO 0.13 0.21 -0.13 0.08 -1.57 0.00 0.00 175.55 174.27 2au7 s VAL 17 N -0.36 2.76 -0.20 0.71 1.01 -0.06 -4.42 120.40 119.84 2au7 s VAL 17 Ca 0.06 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2au7 s VAL 17 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2au7 s VAL 17 CO 0.02 0.50 0.79 -0.69 0.00 0.00 0.00 175.10 175.72 2au7 s VAL 18 N 1.03 4.89 -0.11 2.92 1.01 -0.13 -1.20 120.40 128.81 2au7 s VAL 18 Ca -0.01 1.53 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 2au7 s VAL 18 Cb -0.15 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2au7 s VAL 18 CO -0.03 0.00 0.56 -0.63 0.00 0.00 0.00 175.10 175.01 2au7 s ILE 19 N 2.37 5.13 -0.22 2.22 -1.09 -0.18 -1.38 121.20 128.05 2au7 s ILE 19 Ca 0.35 1.13 0.07 0.00 -2.23 0.00 0.00 60.65 59.98 2au7 s ILE 19 Cb -0.16 -3.90 -0.18 0.00 -1.58 0.00 0.00 42.46 36.64 2au7 s ILE 19 CO 0.10 0.28 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.37 2au7 n GLU 20 N 3.83 0.74 -3.89 2.79 1.02 0.07 0.08 120.64 125.28 2au7 n GLU 20 Ca -0.05 0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 2au7 n GLU 20 Cb 0.51 -1.47 -0.17 0.00 -0.02 0.00 0.00 31.44 30.29 2au7 n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2au7 s ILE 21 N -2.46 0.53 0.76 -3.67 1.01 -0.56 -4.58 121.20 112.23 2au7 s ILE 21 Ca -0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 2au7 s ILE 21 Cb 0.07 -0.64 0.05 0.00 0.01 0.00 0.00 42.46 41.96 2au7 s ILE 21 CO 0.63 0.27 1.10 -2.84 0.00 0.00 0.00 174.94 174.09 2au7 s PRO 22 N 1.68 2.31 0.48 2.79 0.02 -1.26 -0.76 135.00 140.27 2au7 s PRO 22 Ca 0.01 1.21 -0.24 0.00 0.02 0.00 0.00 61.00 62.01 2au7 s PRO 22 Cb -0.13 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 2au7 s PRO 22 CO -0.05 -1.61 1.33 0.00 -0.33 0.00 0.00 177.00 176.35 2au7 n ALA 23 N -3.37 1.55 -3.97 -1.55 0.00 -1.26 -3.77 120.51 108.14 2au7 n ALA 23 Ca 0.09 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 2au7 n ALA 23 Cb 0.53 -2.33 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 2au7 n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2au7 n ASN 24 N -0.39 -2.28 -4.99 0.00 5.15 -1.24 -4.72 115.26 106.78 2au7 n ASN 24 Ca 0.08 -0.96 -0.19 0.00 -0.60 0.00 0.00 54.58 52.91 2au7 n ASN 24 Cb 0.42 -1.16 0.03 0.00 -0.53 0.00 0.00 39.78 38.54 2au7 n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2au7 s ALA 25 N -3.94 4.42 0.76 5.20 0.00 -1.25 -5.10 121.76 121.85 2au7 s ALA 25 Ca 0.30 -1.71 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 2au7 s ALA 25 Cb -0.17 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.31 2au7 s ALA 25 CO 0.72 -0.54 1.11 -0.51 0.00 0.00 0.00 175.76 176.54 2au7 s ASP 26 N -4.45 4.49 -1.47 0.00 1.01 -1.26 -4.76 116.67 110.23 2au7 s ASP 26 Ca 0.57 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 55.65 2au7 s ASP 26 Cb -0.09 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.33 2au7 s ASP 26 CO 0.36 -2.05 2.43 -0.81 0.21 0.00 0.00 175.17 175.31 2au7 n PRO 27 N -3.27 3.44 -4.21 8.23 -0.04 -1.26 -4.82 135.00 133.07 2au7 n PRO 27 Ca 0.10 -2.71 -0.32 0.00 -0.04 0.00 0.00 63.50 60.54 2au7 n PRO 27 Cb 0.52 -3.00 -0.16 0.00 -0.04 0.00 0.00 33.50 30.82 2au7 n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2au7 s ILE 28 N 1.95 1.87 -0.29 0.52 1.01 -1.26 -1.40 121.20 123.60 2au7 s ILE 28 Ca 0.54 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 2au7 s ILE 28 Cb 0.15 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2au7 s ILE 28 CO -0.07 0.51 0.54 -0.75 0.00 0.00 0.00 174.94 175.17 2au7 s LYS 29 N 1.24 3.92 0.14 2.79 2.20 0.12 -4.96 119.74 125.20 2au7 s LYS 29 Ca 0.02 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 2au7 s LYS 29 Cb -0.14 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 2au7 s LYS 29 CO -0.10 -0.47 0.17 0.71 -0.36 0.00 0.00 175.35 175.30 2au7 s TYR 30 N 2.40 3.27 -0.00 4.03 2.02 -1.26 -0.32 117.35 127.49 2au7 s TYR 30 Ca 0.21 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 2au7 s TYR 30 Cb -0.15 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2au7 s TYR 30 CO 0.11 0.52 -0.00 -2.00 -1.57 0.00 0.00 175.55 172.61 2au7 s GLU 31 N -2.99 0.01 0.05 -0.62 2.12 0.10 -4.77 118.70 112.60 2au7 s GLU 31 Ca 0.32 -0.00 -0.31 0.00 0.36 0.00 0.00 54.97 55.34 2au7 s GLU 31 Cb -0.11 -0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.21 2au7 s GLU 31 CO 0.25 0.00 1.23 0.42 -0.54 0.00 0.00 175.26 176.62 2au7 s ILE 32 N 0.00 3.98 -0.15 -3.70 -1.09 -1.26 -1.15 121.20 117.83 2au7 s ILE 32 Ca -0.00 1.41 -0.29 0.00 -2.23 0.00 0.00 60.65 59.53 2au7 s ILE 32 Cb -0.00 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2au7 s ILE 32 CO -0.00 0.09 1.23 -0.62 -1.23 0.00 0.00 174.94 174.41 2au7 s ASP 33 N 1.15 6.98 0.00 3.58 2.15 -0.05 -4.93 116.67 125.55 2au7 s ASP 33 Ca 0.59 1.69 0.07 0.00 0.43 0.00 0.00 52.55 55.33 2au7 s ASP 33 Cb -0.30 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.10 2au7 s ASP 33 CO 0.28 -0.71 1.24 2.29 -0.17 0.00 0.00 175.17 178.10 2au7 n LYS 34 N 6.28 0.00 -0.10 4.34 2.85 -1.26 -0.36 118.16 129.91 2au7 n LYS 34 Ca 0.13 0.37 -0.15 0.00 -1.05 0.00 0.00 58.31 57.61 2au7 n LYS 34 Cb 0.45 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.27 2au7 n LYS 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2au7 n GLU 35 N -1.50 0.53 0.07 -1.58 -0.58 -1.26 -4.59 120.64 111.72 2au7 n GLU 35 Ca 0.02 0.38 0.11 0.00 -0.42 0.00 0.00 57.16 57.25 2au7 n GLU 35 Cb 0.09 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.37 2au7 n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2au7 n SER 36 N -4.45 0.65 0.00 1.62 3.41 -1.22 -4.96 113.62 108.67 2au7 n SER 36 Ca -0.25 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2au7 n SER 36 Cb 0.56 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 2au7 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2au7 n GLY 37 N 1.25 0.91 3.87 5.00 0.00 0.51 -5.02 105.19 111.71 2au7 n GLY 37 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2au7 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2au7 s ALA 38 N -3.66 3.37 -0.24 4.61 0.00 -1.26 -4.69 121.76 119.89 2au7 s ALA 38 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 2au7 s ALA 38 Cb 0.00 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2au7 s ALA 38 CO 0.00 0.07 1.04 -1.17 0.00 0.00 0.00 175.76 175.70 2au7 s LEU 39 N -3.68 4.09 0.02 0.00 2.96 -1.26 -0.87 118.68 119.93 2au7 s LEU 39 Ca 0.51 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.80 2au7 s LEU 39 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2au7 s LEU 39 CO 0.29 -0.69 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.27 2au7 s PHE 40 N 3.23 3.04 0.09 5.38 0.40 -0.30 -4.93 117.98 124.89 2au7 s PHE 40 Ca 0.44 0.04 -0.31 0.00 -0.60 0.00 0.00 56.93 56.51 2au7 s PHE 40 Cb -0.15 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 2au7 s PHE 40 CO 0.07 0.45 1.56 0.08 0.70 0.00 0.00 175.22 178.08 2au7 s VAL 41 N -1.12 3.08 -0.21 -0.44 1.01 -1.26 -0.72 120.40 120.74 2au7 s VAL 41 Ca 0.21 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2au7 s VAL 41 Cb -0.11 -3.41 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 2au7 s VAL 41 CO 0.12 0.02 -0.01 -0.67 0.00 0.00 0.00 175.10 174.56 2au7 n ASP 42 N 4.96 2.02 -3.61 3.32 2.03 0.57 -4.87 116.55 120.97 2au7 n ASP 42 Ca 0.14 0.07 -0.15 0.00 0.52 0.00 0.00 54.79 55.38 2au7 n ASP 42 Cb 0.41 -0.65 -0.07 0.00 -0.72 0.00 0.00 41.12 40.09 2au7 n ASP 42 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2au7 s GLN 43 N -2.52 0.86 -0.47 -0.67 2.00 -0.95 -5.00 119.66 112.90 2au7 s GLN 43 Ca -0.31 0.75 -0.24 0.00 -2.00 0.00 0.00 55.36 53.56 2au7 s GLN 43 Cb 0.09 0.41 0.03 0.00 0.80 0.00 0.00 33.01 34.34 2au7 s GLN 43 CO 0.65 -0.16 0.88 -0.06 -0.50 0.00 0.00 175.29 176.10 2au7 s PHE 44 N -0.07 2.93 0.43 1.67 0.08 -1.26 -0.70 117.98 121.06 2au7 s PHE 44 Ca -0.03 0.23 -0.26 0.00 0.12 0.00 0.00 56.93 56.99 2au7 s PHE 44 Cb -0.04 -3.88 -0.09 0.00 -0.57 0.00 0.00 43.02 38.45 2au7 s PHE 44 CO 0.03 -1.10 1.40 -1.64 -0.10 0.00 0.00 175.22 173.81 2au7 s MET 45 N 3.61 3.79 0.03 0.44 -1.94 -0.49 -4.93 119.30 119.81 2au7 s MET 45 Ca 0.33 2.36 0.22 0.00 -1.71 0.00 0.00 55.69 56.89 2au7 s MET 45 Cb -0.11 -2.71 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 2au7 s MET 45 CO 0.24 -0.71 0.90 -1.13 -0.01 0.00 0.00 175.02 174.31 2au7 n SER 46 N -0.06 0.57 -4.92 3.03 3.41 -1.26 -4.89 113.62 109.50 2au7 n SER 46 Ca 0.04 -0.27 -0.27 0.00 -0.26 0.00 0.00 58.87 58.11 2au7 n SER 46 Cb 0.42 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.39 2au7 n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2au7 s THR 47 N -3.23 5.10 -1.35 6.66 -4.23 -1.26 -4.94 115.64 112.39 2au7 s THR 47 Ca 0.02 -0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 60.21 2au7 s THR 47 Cb 0.14 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.32 2au7 s THR 47 CO 0.83 -0.35 2.18 0.00 -0.54 0.00 0.00 174.62 176.74 2au7 n ALA 48 N -1.12 6.03 -2.28 3.99 0.00 -1.26 -4.89 120.51 120.98 2au7 n ALA 48 Ca -0.04 -4.12 -0.16 0.00 0.00 0.00 0.00 53.44 49.13 2au7 n ALA 48 Cb 0.55 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.86 2au7 n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2au7 s MET 49 N 0.47 1.15 0.03 0.00 -1.94 -1.26 -5.16 119.30 112.59 2au7 s MET 49 Ca 0.48 -1.50 0.02 0.00 -1.71 0.00 0.00 55.69 52.97 2au7 s MET 49 Cb 0.14 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 36.20 2au7 s MET 49 CO -0.04 0.09 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.41 2au7 s PHE 50 N -3.24 0.54 0.15 -0.03 -0.12 -1.26 -4.51 117.98 109.50 2au7 s PHE 50 Ca 0.19 -0.43 -0.32 0.00 -0.05 0.00 0.00 56.93 56.32 2au7 s PHE 50 Cb 0.02 -0.33 -0.12 0.00 -0.63 0.00 0.00 43.02 41.96 2au7 s PHE 50 CO 0.03 -0.09 1.74 0.66 -0.05 0.00 0.00 175.22 177.51 2au7 n TYR 51 N 1.75 2.57 0.37 3.49 4.02 -1.26 -4.88 117.16 123.22 2au7 n TYR 51 Ca -0.21 0.02 0.14 0.00 -0.01 0.00 0.00 57.90 57.84 2au7 n TYR 51 Cb 0.55 -2.66 0.49 0.00 -0.02 0.00 0.00 39.34 37.70 2au7 n TYR 51 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2au7 h PRO 52 N 7.36 0.00 -4.68 -0.72 0.13 -1.93 -3.29 132.00 128.86 2au7 h PRO 52 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 2au7 h PRO 52 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2au7 h PRO 52 CO 0.94 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 178.12 2au7 n ASN 54 N -0.56 2.48 -3.97 0.00 4.13 -1.07 -4.04 115.26 112.23 2au7 n ASN 54 Ca 0.03 0.95 -0.19 0.00 1.68 0.00 0.00 54.58 57.05 2au7 n ASN 54 Cb 0.65 -1.56 -0.15 0.00 -1.54 0.00 0.00 39.78 37.18 2au7 n ASN 54 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2au7 s TYR 55 N -1.31 0.80 0.00 3.10 5.04 0.07 -0.88 117.35 124.16 2au7 s TYR 55 Ca 0.73 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 2au7 s TYR 55 Cb -0.42 -0.59 0.00 0.00 0.35 0.00 0.00 41.96 41.31 2au7 s TYR 55 CO 0.48 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 2au7 n GLY 56 N 3.35 2.25 3.60 8.97 0.00 -0.08 -0.75 105.19 122.53 2au7 n GLY 56 Ca -0.18 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2au7 n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2au7 s TYR 57 N 0.66 -0.02 -0.26 1.61 1.13 -0.48 -1.24 117.35 118.76 2au7 s TYR 57 Ca 0.00 -0.35 -0.14 0.00 -1.41 0.00 0.00 57.07 55.17 2au7 s TYR 57 Cb 0.00 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2au7 s TYR 57 CO 0.00 -0.99 0.30 0.42 -2.51 0.00 0.00 175.55 172.77 2au7 s ILE 58 N -3.92 5.24 0.72 -3.49 1.01 -0.83 -0.95 121.20 118.98 2au7 s ILE 58 Ca 0.13 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 61.07 2au7 s ILE 58 Cb -0.02 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.85 2au7 s ILE 58 CO 0.02 0.22 1.19 0.21 0.00 0.00 0.00 174.94 176.57 2au7 s ASN 59 N 1.48 4.35 -1.41 3.58 2.47 -1.26 -3.40 114.94 120.75 2au7 s ASN 59 Ca 0.13 2.28 -0.05 0.00 0.42 0.00 0.00 52.86 55.64 2au7 s ASN 59 Cb -0.15 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 37.07 2au7 s ASN 59 CO 0.09 -2.15 0.64 1.41 -3.72 0.00 0.00 177.10 173.37 2au7 n HIS 60 N -2.69 -1.94 -4.36 0.43 8.25 -1.26 -3.87 115.22 109.77 2au7 n HIS 60 Ca 0.13 0.55 -0.18 0.00 -0.26 0.00 0.00 57.72 57.95 2au7 n HIS 60 Cb 0.51 -4.31 -0.10 0.00 1.12 0.00 0.00 29.99 27.20 2au7 n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2au7 s THR 61 N -3.16 1.00 -0.16 1.59 -4.23 -1.22 -4.55 115.64 104.92 2au7 s THR 61 Ca 0.32 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 2au7 s THR 61 Cb -0.14 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.24 2au7 s THR 61 CO 0.39 -0.17 0.36 -0.22 -0.54 0.00 0.00 174.62 174.44 2au7 s LEU 62 N -3.36 -0.25 0.70 4.79 2.96 -0.36 -3.72 118.68 119.44 2au7 s LEU 62 Ca 0.33 0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 54.99 2au7 s LEU 62 Cb 0.07 1.12 0.07 0.00 0.50 0.00 0.00 46.19 47.95 2au7 s LEU 62 CO 0.12 -0.21 1.00 -0.44 -1.32 0.00 0.00 176.35 175.49 2au7 s SER 63 N 2.00 4.75 0.21 3.68 0.01 0.18 -4.46 113.70 120.07 2au7 s SER 63 Ca -0.05 0.31 0.22 0.00 1.31 0.00 0.00 55.95 57.74 2au7 s SER 63 Cb -0.11 -0.94 0.91 0.00 0.21 0.00 0.00 66.02 66.09 2au7 s SER 63 CO -0.11 -1.62 1.66 0.18 0.41 0.00 0.00 173.24 173.76 2au7 n LEU 64 N -2.88 0.53 0.00 2.44 4.77 -1.22 -1.44 117.00 119.21 2au7 n LEU 64 Ca 0.09 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 2au7 n LEU 64 Cb 0.60 -0.57 0.69 0.00 -2.33 0.00 0.00 43.42 41.81 2au7 n LEU 64 CO 0.50 -0.52 0.90 -0.90 -1.33 0.00 0.00 177.39 176.05 2au7 n ASP 65 N -2.10 0.00 0.00 -1.43 3.85 -0.97 -4.57 116.55 111.33 2au7 n ASP 65 Ca 0.02 -0.99 0.00 0.00 -0.71 0.00 0.00 54.79 53.11 2au7 n ASP 65 Cb 0.21 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 2au7 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2au7 n GLY 66 N 0.66 0.77 3.42 6.12 0.00 -0.52 -4.79 105.19 110.84 2au7 n GLY 66 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2au7 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2au7 s ASP 67 N -2.57 3.09 0.64 1.61 1.01 -1.26 -4.91 116.67 114.28 2au7 s ASP 67 Ca 0.00 -1.05 -0.17 0.00 0.71 0.00 0.00 52.55 52.03 2au7 s ASP 67 Cb 0.00 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 2au7 s ASP 67 CO 0.00 -0.10 0.86 -2.65 0.21 0.00 0.00 175.17 173.48 2au7 n PRO 68 N -0.53 0.69 -1.95 8.23 -0.02 -1.24 -0.65 135.00 139.53 2au7 n PRO 68 Ca -0.06 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2au7 n PRO 68 Cb 0.61 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 2au7 n PRO 68 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2au7 s VAL 69 N -1.64 2.38 0.22 -1.45 0.11 -1.26 -4.60 120.40 114.16 2au7 s VAL 69 Ca 0.74 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 60.02 2au7 s VAL 69 Cb -0.40 -3.24 -0.08 0.00 -1.53 0.00 0.00 36.38 31.14 2au7 s VAL 69 CO 0.49 0.09 0.63 -1.81 -3.33 0.00 0.00 175.10 171.17 2au7 s ASP 70 N -0.35 6.82 -0.01 3.54 1.01 -1.25 -1.96 116.67 124.46 2au7 s ASP 70 Ca 0.52 1.16 0.01 0.00 0.71 0.00 0.00 52.55 54.95 2au7 s ASP 70 Cb -0.43 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.19 2au7 s ASP 70 CO 0.57 -0.02 -0.03 -0.69 0.21 0.00 0.00 175.17 175.22 2au7 s VAL 71 N -1.67 0.26 -0.19 -1.27 1.01 -0.37 -1.21 120.40 116.95 2au7 s VAL 71 Ca 0.45 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2au7 s VAL 71 Cb -0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2au7 s VAL 71 CO 0.20 0.10 0.07 -0.76 0.00 0.00 0.00 175.10 174.71 2au7 s LEU 72 N 0.25 3.83 -0.26 3.92 1.43 0.35 -0.91 118.68 127.30 2au7 s LEU 72 Ca -0.02 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2au7 s LEU 72 Cb -0.05 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2au7 s LEU 72 CO -0.01 0.15 -0.04 -0.69 0.23 0.00 0.00 176.35 176.00 2au7 s VAL 73 N 0.51 1.73 0.26 -1.59 1.01 -0.06 -1.66 120.40 120.60 2au7 s VAL 73 Ca 0.04 -1.48 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 2au7 s VAL 73 Cb -0.13 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2au7 s VAL 73 CO 0.01 -0.20 1.18 -2.16 0.00 0.00 0.00 175.10 173.93 2au7 s PRO 74 N 1.28 4.53 0.11 2.72 0.04 -1.26 -2.60 135.00 139.82 2au7 s PRO 74 Ca -0.03 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2au7 s PRO 74 Cb -0.19 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2au7 s PRO 74 CO -0.08 0.03 0.09 0.95 0.04 0.00 0.00 177.00 178.03 2au7 s THR 75 N -0.77 0.13 0.15 1.26 -4.23 -1.26 -4.39 115.64 106.54 2au7 s THR 75 Ca 0.48 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.53 2au7 s THR 75 Cb -0.34 -1.76 0.21 0.00 1.34 0.00 0.00 72.50 71.95 2au7 s THR 75 CO 0.42 -0.61 1.81 1.55 -0.54 0.00 0.00 174.62 177.25 2au7 h PRO 76 N 2.87 0.00 -3.70 3.99 0.13 -2.04 -3.44 132.00 129.81 2au7 h PRO 76 Ca -0.34 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.62 2au7 h PRO 76 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2au7 h PRO 76 CO 0.59 0.26 -0.60 0.71 -0.23 0.00 0.00 178.00 178.73 2au7 s TYR 77 N -3.66 0.10 0.50 1.56 2.02 -1.26 -5.14 117.35 111.46 2au7 s TYR 77 Ca 0.00 -0.22 -0.23 0.00 -0.37 0.00 0.00 57.07 56.25 2au7 s TYR 77 Cb 0.11 -0.09 -0.06 0.00 -0.40 0.00 0.00 41.96 41.51 2au7 s TYR 77 CO 0.65 -0.20 1.33 -2.14 -1.57 0.00 0.00 175.55 173.62 2au7 s PRO 78 N -1.14 3.45 0.49 -1.71 0.02 -1.26 -4.99 135.00 129.87 2au7 s PRO 78 Ca -0.12 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 2au7 s PRO 78 Cb -0.07 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 2au7 s PRO 78 CO 0.00 -0.93 0.80 -0.51 -0.33 0.00 0.00 177.00 176.03 2au7 s LEU 79 N -3.15 3.58 0.10 -5.54 1.43 -1.26 -4.96 118.68 108.89 2au7 s LEU 79 Ca 0.66 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 2au7 s LEU 79 Cb -0.39 -3.83 -0.06 0.00 0.03 0.00 0.00 46.19 41.94 2au7 s LEU 79 CO 0.47 -0.64 0.95 -1.10 0.23 0.00 0.00 176.35 176.27 2au7 s GLN 80 N -4.77 4.68 0.32 1.70 -1.52 -1.26 -4.43 119.66 114.38 2au7 s GLN 80 Ca 0.48 1.43 -0.29 0.00 -1.95 0.00 0.00 55.36 55.03 2au7 s GLN 80 Cb -0.10 -3.38 -0.12 0.00 -0.22 0.00 0.00 33.01 29.19 2au7 s GLN 80 CO 0.45 0.20 1.42 -2.30 -0.25 0.00 0.00 175.29 174.81 2au7 n PRO 81 N 2.85 2.37 -0.84 2.91 -0.02 -1.26 -1.62 135.00 139.38 2au7 n PRO 81 Ca 0.02 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2au7 n PRO 81 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2au7 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2au7 n GLY 82 N 1.21 1.03 3.93 -1.23 0.00 0.11 -5.01 105.19 105.23 2au7 n GLY 82 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2au7 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2au7 s SER 83 N -3.04 5.64 -0.05 1.61 1.04 -0.64 -4.82 113.70 113.44 2au7 s SER 83 Ca 0.00 0.53 0.05 0.00 0.48 0.00 0.00 55.95 57.02 2au7 s SER 83 Cb 0.00 -1.60 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 2au7 s SER 83 CO 0.00 -0.96 -0.22 -0.69 0.98 0.00 0.00 173.24 172.35 2au7 s VAL 84 N -2.84 1.82 -0.06 5.02 1.01 -1.26 -1.01 120.40 123.08 2au7 s VAL 84 Ca 0.52 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2au7 s VAL 84 Cb -0.10 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2au7 s VAL 84 CO 0.42 0.51 -0.15 0.28 0.00 0.00 0.00 175.10 176.16 2au7 s THR 85 N -0.07 1.35 0.03 3.92 -1.32 -0.34 -4.95 115.64 114.26 2au7 s THR 85 Ca -0.04 -0.63 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 2au7 s THR 85 Cb -0.13 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 2au7 s THR 85 CO 0.03 0.40 1.15 -0.60 -2.21 0.00 0.00 174.62 173.39 2au7 s ARG 86 N 0.39 4.45 0.25 7.08 3.52 -1.26 -0.88 118.95 132.50 2au7 s ARG 86 Ca -0.11 1.67 -0.01 0.00 -0.13 0.00 0.00 55.73 57.15 2au7 s ARG 86 Cb -0.14 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2au7 s ARG 86 CO 0.04 -0.24 0.26 0.00 -0.81 0.00 0.00 175.30 174.55 2au7 s ARG 88 N -3.84 1.15 0.34 0.00 3.52 -0.07 -1.59 118.95 118.47 2au7 s ARG 88 Ca 0.36 -0.16 -0.28 0.00 -0.13 0.00 0.00 55.73 55.52 2au7 s ARG 88 Cb 0.04 -1.20 -0.09 0.00 -1.56 0.00 0.00 34.95 32.14 2au7 s ARG 88 CO 0.16 -0.16 1.16 -1.25 -0.81 0.00 0.00 175.30 174.40 2au7 s PRO 89 N 1.33 4.37 0.00 5.12 0.04 -1.26 -1.07 135.00 143.53 2au7 s PRO 89 Ca -0.04 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2au7 s PRO 89 Cb -0.14 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2au7 s PRO 89 CO -0.03 -0.06 0.00 1.33 0.04 0.00 0.00 177.00 178.29 2au7 n VAL 90 N 0.68 0.00 0.00 -0.36 0.24 -0.17 -4.89 118.33 113.83 2au7 n VAL 90 Ca 0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2au7 n VAL 90 Cb 0.45 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 2au7 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2au7 n GLY 91 N 0.61 -0.29 3.35 7.63 0.00 -1.16 -1.56 105.19 113.78 2au7 n GLY 91 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2au7 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2au7 s VAL 92 N -2.00 -0.00 -0.44 1.61 0.11 -0.51 -1.04 120.40 118.13 2au7 s VAL 92 Ca 0.00 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.89 2au7 s VAL 92 Cb 0.00 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2au7 s VAL 92 CO 0.00 0.01 0.48 -0.22 -3.33 0.00 0.00 175.10 172.04 2au7 s LEU 93 N 0.46 4.91 0.05 2.54 2.96 0.12 -0.38 118.68 129.34 2au7 s LEU 93 Ca -0.02 -0.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.86 2au7 s LEU 93 Cb -0.04 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 2au7 s LEU 93 CO -0.02 -0.65 1.03 -0.54 -1.32 0.00 0.00 176.35 174.85 2au7 s LYS 94 N 2.23 4.56 0.11 1.98 1.02 0.07 -1.06 119.74 128.66 2au7 s LYS 94 Ca 0.13 1.53 -0.26 0.00 0.02 0.00 0.00 55.97 57.39 2au7 s LYS 94 Cb -0.18 -3.40 0.07 0.00 -0.52 0.00 0.00 37.83 33.81 2au7 s LYS 94 CO 0.13 -0.03 0.85 0.00 -0.92 0.00 0.00 175.35 175.38 2au7 s MET 95 N 0.69 1.14 0.03 1.68 0.23 -1.26 -0.59 119.30 121.22 2au7 s MET 95 Ca 0.52 -0.53 0.06 0.00 -1.03 0.00 0.00 55.69 54.71 2au7 s MET 95 Cb -0.24 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.49 2au7 s MET 95 CO 0.29 -0.51 -0.17 0.99 -2.03 0.00 0.00 175.02 173.59 2au7 s THR 96 N -3.37 1.37 0.09 3.16 2.01 -0.26 -0.69 115.64 117.95 2au7 s THR 96 Ca 0.08 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.04 2au7 s THR 96 Cb -0.02 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 2au7 s THR 96 CO -0.04 0.14 0.02 -0.90 -0.69 0.00 0.00 174.62 173.15 2au7 n ASP 97 N 1.98 1.34 0.31 3.53 5.75 -0.44 -0.97 116.55 128.06 2au7 n ASP 97 Ca -0.17 -1.43 0.19 0.00 -0.01 0.00 0.00 54.79 53.36 2au7 n ASP 97 Cb 0.54 0.17 1.03 0.00 -1.03 0.00 0.00 41.12 41.83 2au7 n ASP 97 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2au7 h GLU 98 N 0.00 0.00 0.00 0.11 9.09 -1.84 -1.40 114.58 120.54 2au7 h GLU 98 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2au7 h GLU 98 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 2au7 h GLU 98 CO 0.11 0.01 -0.49 0.00 0.05 0.00 0.00 179.01 178.69 2au7 n ALA 99 N -2.19 3.34 0.00 1.06 0.00 -1.26 -5.06 120.51 116.39 2au7 n ALA 99 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2au7 n ALA 99 Cb 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2au7 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2au7 n GLY 100 N 1.47 0.95 3.74 0.00 0.00 -0.53 -4.14 105.19 106.68 2au7 n GLY 100 Ca 0.05 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2au7 n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2au7 n GLU 101 N -0.95 2.50 -2.78 1.61 1.02 -1.26 -1.33 120.64 119.44 2au7 n GLU 101 Ca 0.00 0.88 -0.10 0.00 -0.02 0.00 0.00 57.16 57.92 2au7 n GLU 101 Cb 0.00 -2.57 0.08 0.00 -0.02 0.00 0.00 31.44 28.92 2au7 n GLU 101 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2au7 n ASP 102 N 0.91 -1.53 -4.69 1.62 2.03 0.14 -2.30 116.55 112.73 2au7 n ASP 102 Ca 0.04 -3.21 -0.38 0.00 0.52 0.00 0.00 54.79 51.76 2au7 n ASP 102 Cb 0.37 1.17 0.05 0.00 -0.72 0.00 0.00 41.12 41.99 2au7 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2au7 n ALA 103 N 0.06 0.91 -3.73 -1.67 0.00 -1.22 -4.51 120.51 110.37 2au7 n ALA 103 Ca 0.06 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2au7 n ALA 103 Cb 0.74 -2.24 -0.12 0.00 0.00 0.00 0.00 19.45 17.83 2au7 n ALA 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2au7 s LYS 104 N -2.84 2.10 0.57 0.00 -0.14 -0.22 -3.93 119.74 115.28 2au7 s LYS 104 Ca 0.74 -1.68 -0.19 0.00 -1.36 0.00 0.00 55.97 53.48 2au7 s LYS 104 Cb -0.42 -3.49 -0.05 0.00 -1.68 0.00 0.00 37.83 32.19 2au7 s LYS 104 CO 0.48 -0.96 1.17 -0.51 -0.76 0.00 0.00 175.35 174.77 2au7 s LEU 105 N 1.17 3.70 -0.19 3.17 1.43 -0.35 -0.70 118.68 126.91 2au7 s LEU 105 Ca 0.05 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 55.43 2au7 s LEU 105 Cb -0.22 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.41 2au7 s LEU 105 CO -0.03 -1.43 -0.11 -0.69 0.23 0.00 0.00 176.35 174.32 2au7 s VAL 106 N -1.67 2.89 -0.02 -1.59 1.01 -0.21 -0.49 120.40 120.33 2au7 s VAL 106 Ca 0.75 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2au7 s VAL 106 Cb -0.28 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 2au7 s VAL 106 CO 0.30 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.80 2au7 s ALA 107 N 1.15 0.80 0.16 5.51 0.00 -0.66 -1.00 121.76 127.72 2au7 s ALA 107 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2au7 s ALA 107 Cb -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2au7 s ALA 107 CO -0.04 0.16 0.21 0.14 0.00 0.00 0.00 175.76 176.23 2au7 s VAL 108 N 0.03 4.86 0.18 0.00 -7.23 -0.24 -4.05 120.40 113.95 2au7 s VAL 108 Ca -0.00 -0.93 -0.33 0.00 -1.81 0.00 0.00 61.98 58.91 2au7 s VAL 108 Cb -0.06 -3.51 -0.15 0.00 0.56 0.00 0.00 36.38 33.22 2au7 s VAL 108 CO 0.00 -0.12 1.28 -2.65 -0.31 0.00 0.00 175.10 173.30 2au7 n PRO 109 N -0.51 1.46 -1.72 4.82 -0.02 -1.26 -0.89 135.00 136.88 2au7 n PRO 109 Ca -0.08 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2au7 n PRO 109 Cb 0.55 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.99 2au7 n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2au7 s HIS 110 N 0.01 2.17 0.56 6.00 2.46 -0.36 -4.71 115.29 121.40 2au7 s HIS 110 Ca 0.74 1.53 0.26 0.00 0.47 0.00 0.00 55.06 58.06 2au7 s HIS 110 Cb -0.80 -3.55 1.49 0.00 -0.13 0.00 0.00 32.58 29.59 2au7 s HIS 110 CO 0.50 -2.60 2.04 1.03 -2.47 0.00 0.00 174.74 173.23 2au7 h SER 111 N 0.37 0.00 0.64 9.88 0.87 -1.91 0.75 113.55 124.15 2au7 h SER 111 Ca -0.50 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 2au7 h SER 111 Cb 1.31 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2au7 h SER 111 CO 0.53 0.00 -0.15 0.11 -0.53 0.00 0.00 176.83 176.78 2au7 h LYS 112 N 0.00 0.00 0.00 2.24 1.79 -1.96 -3.11 116.57 115.53 2au7 h LYS 112 Ca 0.16 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.35 2au7 h LYS 112 Cb 0.75 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.35 2au7 h LYS 112 CO -0.00 0.15 -1.94 1.28 -1.08 0.00 0.00 179.45 177.87 2au7 n LEU 113 N -3.47 0.48 -3.57 2.94 4.77 0.23 -5.01 117.00 113.36 2au7 n LEU 113 Ca -0.01 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 2au7 n LEU 113 Cb 0.32 0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2au7 n LEU 113 CO 0.31 0.36 0.71 -0.55 -1.33 0.00 0.00 177.39 176.89 2au7 s SER 114 N -5.70 -0.42 0.00 -1.43 0.15 -1.03 -5.02 113.70 100.25 2au7 s SER 114 Ca -0.07 0.47 0.27 0.00 0.70 0.00 0.00 55.95 57.33 2au7 s SER 114 Cb 0.08 0.36 0.91 0.00 -1.71 0.00 0.00 66.02 65.66 2au7 s SER 114 CO 0.83 -0.39 1.66 2.29 1.20 0.00 0.00 173.24 178.84 2au7 n LYS 115 N 0.79 0.92 -0.33 5.44 2.85 -1.26 -3.95 118.16 122.62 2au7 n LYS 115 Ca -0.12 -0.49 0.02 0.00 -1.05 0.00 0.00 58.31 56.67 2au7 n LYS 115 Cb 0.58 -1.49 0.17 0.00 -0.65 0.00 0.00 35.03 33.63 2au7 n LYS 115 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2au7 h GLU 116 N 1.20 0.98 -0.66 -1.58 4.81 -1.94 -2.54 114.58 114.86 2au7 h GLU 116 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2au7 h GLU 116 Cb 0.47 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2au7 h GLU 116 CO 0.00 0.65 0.00 0.66 -0.73 0.00 0.00 179.01 179.59 2au7 n TYR 117 N -4.60 0.87 -0.06 0.92 4.02 -1.26 -4.46 117.16 112.59 2au7 n TYR 117 Ca 0.14 -0.48 0.11 0.00 -0.01 0.00 0.00 57.90 57.66 2au7 n TYR 117 Cb 0.22 -0.00 0.50 0.00 -0.02 0.00 0.00 39.34 40.03 2au7 n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2au7 h ASP 118 N 3.94 0.36 0.78 7.72 3.32 -1.73 -0.44 116.42 130.38 2au7 h ASP 118 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2au7 h ASP 118 Cb 0.95 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2au7 h ASP 118 CO 0.00 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 2au7 n HIS 119 N -4.47 0.81 -2.78 4.55 1.44 -1.26 -4.36 115.22 109.15 2au7 n HIS 119 Ca 0.09 0.31 -0.43 0.00 -2.01 0.00 0.00 57.72 55.68 2au7 n HIS 119 Cb 0.33 -1.01 -0.03 0.00 0.12 0.00 0.00 29.99 29.40 2au7 n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2au7 s ILE 120 N -3.30 4.21 -0.17 0.61 1.01 -0.17 -4.82 121.20 118.56 2au7 s ILE 120 Ca 0.05 -0.32 0.15 0.00 0.00 0.00 0.00 60.65 60.53 2au7 s ILE 120 Cb 0.09 -4.76 -0.24 0.00 0.01 0.00 0.00 42.46 37.56 2au7 s ILE 120 CO 0.41 -1.57 0.17 0.29 0.00 0.00 0.00 174.94 174.24 2au7 n LYS 121 N 8.02 0.68 -3.96 2.79 5.02 -1.26 -4.97 118.16 124.47 2au7 n LYS 121 Ca 0.02 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 2au7 n LYS 121 Cb 0.47 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2au7 n LYS 121 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2au7 s ASP 122 N -5.74 0.34 0.42 4.39 -1.08 -1.26 -4.85 116.67 108.88 2au7 s ASP 122 Ca -0.11 -1.20 0.10 0.00 -0.52 0.00 0.00 52.55 50.82 2au7 s ASP 122 Cb 0.07 0.71 0.90 0.00 -1.46 0.00 0.00 42.92 43.14 2au7 s ASP 122 CO 0.81 -1.39 2.00 1.62 0.52 0.00 0.00 175.17 178.72 2au7 h VAL 123 N 2.10 1.12 0.00 1.11 3.04 -1.60 0.12 116.25 122.15 2au7 h VAL 123 Ca -0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2au7 h VAL 123 Cb 1.25 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2au7 h VAL 123 CO 0.38 0.16 0.00 -0.46 -1.01 0.00 0.00 177.57 176.63 2au7 n ASN 124 N -4.38 0.62 0.08 3.17 6.94 -1.26 -2.01 115.26 118.42 2au7 n ASN 124 Ca -0.00 0.66 0.12 0.00 -0.02 0.00 0.00 54.58 55.34 2au7 n ASN 124 Cb 0.18 -0.79 0.28 0.00 -2.36 0.00 0.00 39.78 37.09 2au7 n ASN 124 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2au7 n ASP 125 N -2.19 0.78 -4.77 0.53 8.00 0.03 -4.84 116.55 114.08 2au7 n ASP 125 Ca 0.02 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 2au7 n ASP 125 Cb 0.22 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 2au7 n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2au7 s LEU 126 N -4.42 4.11 0.35 0.64 1.43 -0.85 -4.89 118.68 115.05 2au7 s LEU 126 Ca 0.08 2.28 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 2au7 s LEU 126 Cb 0.13 -4.13 -0.11 0.00 0.03 0.00 0.00 46.19 42.10 2au7 s LEU 126 CO 0.66 -0.75 1.54 -2.65 0.23 0.00 0.00 176.35 175.39 2au7 n PRO 127 N -0.17 2.71 -0.35 1.29 -0.02 -1.26 -4.89 135.00 132.31 2au7 n PRO 127 Ca 0.06 0.96 -0.01 0.00 -2.02 0.00 0.00 63.50 62.48 2au7 n PRO 127 Cb 0.48 -2.72 0.12 0.00 -0.02 0.00 0.00 33.50 31.36 2au7 n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2au7 h GLU 128 N 3.72 1.21 -0.81 -0.52 4.81 -1.93 -1.99 114.58 119.07 2au7 h GLU 128 Ca -0.49 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 2au7 h GLU 128 Cb 1.23 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2au7 h GLU 128 CO 0.70 0.80 0.52 1.25 -0.73 0.00 0.00 179.01 181.56 2au7 h LEU 129 N 1.24 0.94 -0.31 1.64 5.85 -1.99 -1.10 115.31 121.57 2au7 h LEU 129 Ca 0.37 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 2au7 h LEU 129 Cb -0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2au7 h LEU 129 CO -0.10 0.69 0.08 0.25 -0.34 0.00 0.00 178.44 179.02 2au7 h LEU 130 N 1.10 0.47 -0.88 2.25 5.85 -1.80 -0.43 115.31 121.87 2au7 h LEU 130 Ca 0.29 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2au7 h LEU 130 Cb -0.11 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2au7 h LEU 130 CO -0.06 0.57 0.48 0.11 -0.34 0.00 0.00 178.44 179.20 2au7 h LYS 131 N 0.34 1.22 -0.45 1.25 1.57 -1.15 0.08 116.57 119.44 2au7 h LYS 131 Ca 0.10 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2au7 h LYS 131 Cb 0.28 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2au7 h LYS 131 CO 0.00 0.90 -0.19 0.00 -0.57 0.00 0.00 179.45 179.59 2au7 h ALA 132 N 1.26 0.83 -0.58 3.86 0.00 -1.04 -1.74 119.26 121.84 2au7 h ALA 132 Ca 0.31 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2au7 h ALA 132 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2au7 h ALA 132 CO -0.05 0.65 -0.04 0.37 0.00 0.00 0.00 179.25 180.18 2au7 h GLN 133 N 0.77 1.05 -0.07 0.00 4.15 -0.66 -1.29 115.11 119.05 2au7 h GLN 133 Ca 0.11 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 2au7 h GLN 133 Cb 0.72 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2au7 h GLN 133 CO 0.06 1.04 0.03 0.82 -1.93 0.00 0.00 178.83 178.85 2au7 h ILE 134 N 0.95 1.13 -0.68 2.39 2.04 -0.82 -0.41 117.51 122.11 2au7 h ILE 134 Ca 0.16 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2au7 h ILE 134 Cb 0.60 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2au7 h ILE 134 CO 0.04 0.11 0.41 0.00 0.00 0.00 0.00 178.15 178.71 2au7 h ALA 135 N 0.88 0.87 -0.77 1.87 0.00 -1.22 -2.08 119.26 118.82 2au7 h ALA 135 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2au7 h ALA 135 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2au7 h ALA 135 CO -0.00 0.35 0.45 1.25 0.00 0.00 0.00 179.25 181.30 2au7 h HIS 136 N 0.93 1.03 0.17 0.00 -0.00 -1.13 -0.58 115.15 115.57 2au7 h HIS 136 Ca 0.25 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 2au7 h HIS 136 Cb -0.03 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.02 2au7 h HIS 136 CO -0.01 0.70 -0.23 0.35 -0.00 0.00 0.00 177.93 178.74 2au7 h PHE 137 N 1.06 -0.61 -0.36 5.26 3.57 -0.64 -1.91 116.94 123.30 2au7 h PHE 137 Ca 0.27 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2au7 h PHE 137 Cb -0.01 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2au7 h PHE 137 CO -0.00 -0.34 -0.05 0.74 -2.23 0.00 0.00 178.31 176.43 2au7 h PHE 138 N -0.46 0.62 -0.07 0.41 0.04 -1.16 -0.19 116.94 116.13 2au7 h PHE 138 Ca 0.01 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2au7 h PHE 138 Cb 0.46 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2au7 h PHE 138 CO -0.19 0.63 -0.02 0.93 -0.60 0.00 0.00 178.31 179.06 2au7 h GLU 139 N 0.55 0.10 0.00 1.51 5.08 -0.78 -3.36 114.58 117.67 2au7 h GLU 139 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2au7 h GLU 139 Cb 0.43 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2au7 h GLU 139 CO 0.02 0.13 -0.50 0.72 -1.00 0.00 0.00 179.01 178.38 2au7 n HIS 140 N -4.45 0.00 0.25 4.33 8.25 -0.75 -4.76 115.22 118.09 2au7 n HIS 140 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 2au7 n HIS 140 Cb 0.14 -0.00 0.64 0.00 1.12 0.00 0.00 29.99 31.89 2au7 n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2au7 h TYR 141 N 0.00 0.00 -0.51 4.41 -0.00 -1.20 -0.75 116.97 118.91 2au7 h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2au7 h TYR 141 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.74 2au7 h TYR 141 CO 0.00 0.16 0.00 1.63 -0.00 0.00 0.00 178.16 179.95 2au7 n LYS 142 N -3.57 2.56 0.32 0.10 5.02 -1.26 -4.29 118.16 117.05 2au7 n LYS 142 Ca -0.01 -1.99 0.19 0.00 -2.02 0.00 0.00 58.31 54.48 2au7 n LYS 142 Cb 0.30 -1.55 1.06 0.00 -0.02 0.00 0.00 35.03 34.82 2au7 n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2au7 h ASP 143 N 3.06 0.00 -0.26 4.39 3.32 -1.44 -1.51 116.42 123.99 2au7 h ASP 143 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2au7 h ASP 143 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2au7 h ASP 143 CO 0.07 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.78 2au7 n LEU 144 N -3.49 2.78 -4.41 1.55 4.77 -1.26 -4.88 117.00 112.05 2au7 n LEU 144 Ca -0.03 -1.54 -0.44 0.00 -0.03 0.00 0.00 56.01 53.96 2au7 n LEU 144 Cb 0.08 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2au7 n LEU 144 CO 0.24 0.62 0.15 -1.61 -1.33 0.00 0.00 177.39 175.46 2au7 s GLU 145 N -1.11 3.03 0.17 3.23 2.02 -0.57 -5.00 118.70 120.48 2au7 s GLU 145 Ca 0.25 -1.19 -0.32 0.00 0.02 0.00 0.00 54.97 53.73 2au7 s GLU 145 Cb 0.14 -4.13 -0.11 0.00 0.10 0.00 0.00 34.13 30.14 2au7 s GLU 145 CO 0.20 -1.11 1.63 0.15 0.02 0.00 0.00 175.26 176.14 2au7 s LYS 146 N 2.01 4.18 0.00 1.61 1.02 -1.26 -1.96 119.74 125.34 2au7 s LYS 146 Ca 0.08 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.51 2au7 s LYS 146 Cb -0.23 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 2au7 s LYS 146 CO 0.08 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 2au7 n GLY 147 N 3.85 0.84 3.49 -3.33 0.00 -1.26 -5.03 105.19 103.75 2au7 n GLY 147 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2au7 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2au7 s LYS 148 N -0.27 2.59 0.17 1.61 1.02 -0.83 -4.86 119.74 119.18 2au7 s LYS 148 Ca 0.00 -0.67 -0.23 0.00 0.02 0.00 0.00 55.97 55.09 2au7 s LYS 148 Cb 0.00 -2.43 0.06 0.00 -0.52 0.00 0.00 37.83 34.94 2au7 s LYS 148 CO 0.00 0.61 0.72 1.67 -0.92 0.00 0.00 175.35 177.43 2au7 s TRP 149 N -0.69 -0.36 0.00 3.18 1.48 -1.26 -4.79 118.94 116.51 2au7 s TRP 149 Ca 0.10 0.07 0.02 0.00 -1.06 0.00 0.00 56.10 55.23 2au7 s TRP 149 Cb -0.11 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 32.81 2au7 s TRP 149 CO 0.01 -0.92 -0.06 0.08 -4.06 0.00 0.00 176.95 172.00 2au7 s VAL 150 N -3.66 0.45 -0.18 -0.66 1.01 -1.26 -2.65 120.40 113.45 2au7 s VAL 150 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2au7 s VAL 150 Cb -0.03 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.99 2au7 s VAL 150 CO -0.04 0.05 -0.11 -0.75 0.00 0.00 0.00 175.10 174.25 2au7 s LYS 151 N -0.33 2.11 -0.00 2.72 2.47 -0.14 -4.93 119.74 121.63 2au7 s LYS 151 Ca 0.00 -0.76 -0.20 0.00 -1.56 0.00 0.00 55.97 53.46 2au7 s LYS 151 Cb -0.03 -2.32 -0.05 0.00 -1.46 0.00 0.00 37.83 33.96 2au7 s LYS 151 CO -0.00 -0.37 0.56 0.08 0.16 0.00 0.00 175.35 175.78 2au7 s VAL 152 N 1.42 4.92 -0.25 4.02 1.01 -1.26 -1.10 120.40 129.16 2au7 s VAL 152 Ca 0.01 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 2au7 s VAL 152 Cb -0.15 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 2au7 s VAL 152 CO -0.09 0.45 -0.15 1.21 0.00 0.00 0.00 175.10 176.51 2au7 n GLU 153 N 2.57 0.58 0.00 2.72 2.13 0.24 -4.96 120.64 123.92 2au7 n GLU 153 Ca -0.08 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2au7 n GLU 153 Cb 0.51 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.64 2au7 n GLU 153 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2au7 n GLY 154 N 1.32 1.61 3.74 8.31 0.00 -0.97 -4.98 105.19 114.23 2au7 n GLY 154 Ca -0.46 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 2au7 n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2au7 s TRP 155 N -1.63 3.81 0.22 1.61 0.52 -1.26 -0.75 118.94 121.45 2au7 s TRP 155 Ca 0.00 1.80 0.02 0.00 0.02 0.00 0.00 56.10 57.94 2au7 s TRP 155 Cb 0.00 -3.10 -0.05 0.00 -1.15 0.00 0.00 33.47 29.17 2au7 s TRP 155 CO 0.00 0.06 0.03 -1.21 0.02 0.00 0.00 176.95 175.84 2au7 s GLU 156 N -0.70 1.28 0.85 4.98 2.02 0.49 -4.96 118.70 122.66 2au7 s GLU 156 Ca 0.45 -1.65 -0.11 0.00 0.02 0.00 0.00 54.97 53.68 2au7 s GLU 156 Cb -0.27 -0.40 0.19 0.00 0.10 0.00 0.00 34.13 33.75 2au7 s GLU 156 CO 0.33 -0.16 1.15 0.27 0.02 0.00 0.00 175.26 176.87 2au7 n ASN 157 N -0.37 0.46 -0.16 -0.19 0.23 -1.26 -1.42 115.26 112.54 2au7 n ASN 157 Ca -0.04 -1.65 -0.02 0.00 -0.53 0.00 0.00 54.58 52.35 2au7 n ASN 157 Cb 0.64 -0.85 0.21 0.00 -2.08 0.00 0.00 39.78 37.70 2au7 n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2au7 h ALA 158 N -1.43 1.29 -0.65 -2.53 0.00 -1.88 -0.22 119.26 113.84 2au7 h ALA 158 Ca -0.37 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2au7 h ALA 158 Cb 1.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2au7 h ALA 158 CO 0.30 0.53 0.13 1.49 0.00 0.00 0.00 179.25 181.70 2au7 h GLU 159 N 0.88 1.05 -0.70 0.00 4.81 -1.93 0.13 114.58 118.81 2au7 h GLU 159 Ca 0.21 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2au7 h GLU 159 Cb 0.16 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2au7 h GLU 159 CO -0.02 0.95 0.16 0.00 -0.73 0.00 0.00 179.01 179.37 2au7 h ALA 160 N 1.14 0.97 -0.43 2.92 0.00 -1.71 -1.04 119.26 121.11 2au7 h ALA 160 Ca 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2au7 h ALA 160 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2au7 h ALA 160 CO 0.01 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.06 2au7 h ALA 161 N 1.11 0.56 -0.89 0.00 0.00 -0.56 -1.06 119.26 118.41 2au7 h ALA 161 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2au7 h ALA 161 Cb 0.38 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2au7 h ALA 161 CO 0.00 0.20 0.53 0.87 0.00 0.00 0.00 179.25 180.85 2au7 h LYS 162 N 0.55 1.21 -0.62 0.00 1.57 -0.57 -0.91 116.57 117.79 2au7 h LYS 162 Ca 0.14 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2au7 h LYS 162 Cb 0.25 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2au7 h LYS 162 CO -0.01 0.85 0.17 0.00 -0.57 0.00 0.00 179.45 179.90 2au7 h ALA 163 N 1.35 1.13 -0.67 3.86 0.00 -0.92 -1.10 119.26 122.91 2au7 h ALA 163 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2au7 h ALA 163 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2au7 h ALA 163 CO -0.06 0.59 0.25 1.49 0.00 0.00 0.00 179.25 181.52 2au7 h GLU 164 N 0.92 1.01 -0.11 0.00 4.57 -0.65 -0.69 114.58 119.64 2au7 h GLU 164 Ca 0.20 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2au7 h GLU 164 Cb 0.30 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2au7 h GLU 164 CO -0.00 0.86 0.06 0.82 -1.18 0.00 0.00 179.01 179.56 2au7 h ILE 165 N 0.96 1.01 -0.27 2.32 2.04 -0.72 -0.55 117.51 122.30 2au7 h ILE 165 Ca 0.22 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.06 2au7 h ILE 165 Cb 0.24 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2au7 h ILE 165 CO -0.01 0.02 0.10 0.58 0.00 0.00 0.00 178.15 178.83 2au7 h VAL 166 N 0.13 0.94 -0.81 1.67 2.07 -1.02 -0.90 116.25 118.32 2au7 h VAL 166 Ca 0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2au7 h VAL 166 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2au7 h VAL 166 CO -0.03 0.04 0.50 0.00 0.02 0.00 0.00 177.57 178.11 2au7 h ALA 167 N 1.17 1.03 -0.08 1.67 0.00 -0.95 -0.93 119.26 121.17 2au7 h ALA 167 Ca 0.12 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2au7 h ALA 167 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2au7 h ALA 167 CO -0.12 0.48 -0.63 0.77 0.00 0.00 0.00 179.25 179.76 2au7 h SER 168 N 1.11 0.36 -0.48 0.00 0.02 -0.79 -1.22 113.55 112.56 2au7 h SER 168 Ca 0.29 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2au7 h SER 168 Cb -0.06 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2au7 h SER 168 CO -0.06 0.90 0.10 0.15 -1.14 0.00 0.00 176.83 176.78 2au7 h PHE 169 N 0.23 0.82 -0.73 3.45 3.57 -0.86 -0.86 116.94 122.56 2au7 h PHE 169 Ca -0.01 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 2au7 h PHE 169 Cb 1.16 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2au7 h PHE 169 CO 0.03 0.75 0.30 0.93 -2.23 0.00 0.00 178.31 178.09 2au7 h GLU 170 N 0.66 1.07 -0.70 1.11 4.39 -1.02 -2.23 114.58 117.86 2au7 h GLU 170 Ca 0.15 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2au7 h GLU 170 Cb 0.35 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2au7 h GLU 170 CO 0.00 0.86 0.23 -0.09 -1.16 0.00 0.00 179.01 178.86 2au7 h ARG 171 N 1.05 1.07 -0.14 2.33 2.43 -1.08 -0.20 114.38 119.85 2au7 h ARG 171 Ca 0.25 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2au7 h ARG 171 Cb 0.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2au7 h ARG 171 CO -0.02 0.91 -0.62 0.00 -1.51 0.00 0.00 179.97 178.72 2au7 h ALA 172 N 1.21 0.66 -0.59 2.80 0.00 -1.21 -1.69 119.26 120.44 2au7 h ALA 172 Ca 0.23 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2au7 h ALA 172 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2au7 h ALA 172 CO -0.01 0.71 0.04 -0.22 0.00 0.00 0.00 179.25 179.77 2au7 h LYS 173 N 0.36 1.01 -0.01 0.00 3.64 -1.08 -3.22 116.57 117.28 2au7 h LYS 173 Ca -0.01 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2au7 h LYS 173 Cb 1.18 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2au7 h LYS 173 CO 0.11 0.98 -0.45 0.09 -2.27 0.00 0.00 179.45 177.91 2au7 n ASN 174 N -4.25 1.61 0.00 4.20 4.13 -0.12 -5.11 115.26 115.73 2au7 n ASN 174 Ca 0.03 -1.26 0.00 0.00 1.68 0.00 0.00 54.58 55.03 2au7 n ASN 174 Cb 0.32 0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 2au7 n ASN 174 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83