#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnu s TRP 5 N 0.00 2.54 0.00 1.57 1.48 -1.26 -4.88 118.94 118.38 1bnu s TRP 5 Ca 0.00 1.17 0.00 0.00 -1.06 0.00 0.00 56.10 56.21 1bnu s TRP 5 Cb 0.00 -3.17 0.00 0.00 -1.16 0.00 0.00 33.47 29.14 1bnu s TRP 5 CO 0.00 -2.16 0.00 0.41 -4.06 0.00 0.00 176.95 171.14 1bnu n GLY 6 N -1.62 1.27 0.03 3.67 0.00 -0.59 -5.03 105.19 102.92 1bnu n GLY 6 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1bnu n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bnu n TYR 7 N 0.00 0.00 -1.94 1.61 4.01 -1.26 -4.05 117.16 115.53 1bnu n TYR 7 Ca 0.00 -0.34 -0.23 0.00 -0.16 0.00 0.00 57.90 57.17 1bnu n TYR 7 Cb 0.00 -0.04 0.15 0.00 -0.31 0.00 0.00 39.34 39.14 1bnu n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bnu n GLY 8 N -0.37 -0.94 0.28 2.72 0.00 -1.26 -4.64 105.19 100.98 1bnu n GLY 8 Ca 0.01 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.27 1bnu n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bnu h LYS 9 N 0.00 0.47 0.00 1.61 3.64 -1.97 0.11 116.57 120.43 1bnu h LYS 9 Ca -0.33 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1bnu h LYS 9 Cb 0.97 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1bnu h LYS 9 CO 0.26 0.44 -0.73 0.45 -2.27 0.00 0.00 179.45 177.60 1bnu h HIS 10 N 0.47 0.00 0.00 1.91 3.86 -2.00 -3.37 115.15 116.02 1bnu h HIS 10 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1bnu h HIS 10 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1bnu h HIS 10 CO 0.01 0.00 -0.50 0.27 0.86 0.00 0.00 177.93 178.56 1bnu n ASN 11 N -2.52 0.01 -2.13 2.45 6.94 -1.11 -4.93 115.26 113.97 1bnu n ASN 11 Ca 0.02 -1.99 -0.01 0.00 -0.02 0.00 0.00 54.58 52.58 1bnu n ASN 11 Cb 0.51 -0.20 0.01 0.00 -2.36 0.00 0.00 39.78 37.73 1bnu n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bnu n GLY 12 N 0.01 -1.34 0.42 4.83 0.00 0.36 -1.54 105.19 107.93 1bnu n GLY 12 Ca 0.00 -1.64 0.23 0.00 0.00 0.00 0.00 46.02 44.61 1bnu n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bnu h PRO 13 N 0.00 0.30 0.00 1.61 0.11 -1.84 0.64 132.00 132.82 1bnu h PRO 13 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1bnu h PRO 13 Cb 0.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1bnu h PRO 13 CO 0.01 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.15 1bnu n GLU 14 N -4.48 0.03 0.00 1.05 0.00 -1.26 -1.95 120.64 114.02 1bnu n GLU 14 Ca 0.21 0.17 0.08 0.00 0.00 0.00 0.00 57.16 57.62 1bnu n GLU 14 Cb 0.82 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.68 1bnu n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bnu n HIS 15 N -1.60 0.00 0.23 -1.84 8.25 0.21 -4.65 115.22 115.82 1bnu n HIS 15 Ca 0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1bnu n HIS 15 Cb 0.25 0.00 0.53 0.00 1.12 0.00 0.00 29.99 31.90 1bnu n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bnu h TRP 16 N 1.17 0.00 -0.00 4.41 6.55 -1.36 -2.51 115.95 124.21 1bnu h TRP 16 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1bnu h TRP 16 Cb 0.49 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.79 1bnu h TRP 16 CO 0.00 0.24 0.00 1.12 -1.05 0.00 0.00 178.44 178.75 1bnu h HIS 17 N 0.00 0.00 -0.37 0.49 2.07 -1.79 0.21 115.15 115.77 1bnu h HIS 17 Ca -0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.41 1bnu h HIS 17 Cb 0.56 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 1bnu h HIS 17 CO 0.00 0.00 -0.19 0.87 -3.07 0.00 0.00 177.93 175.54 1bnu h LYS 18 N 0.00 0.71 0.00 5.12 1.57 -1.80 -2.72 116.57 119.45 1bnu h LYS 18 Ca 0.00 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1bnu h LYS 18 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1bnu h LYS 18 CO -0.00 0.85 -1.90 -0.25 -0.57 0.00 0.00 179.45 177.59 1bnu n ASP 19 N -4.13 0.14 -3.61 0.86 8.00 -0.55 -4.71 116.55 112.55 1bnu n ASP 19 Ca 0.00 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 1bnu n ASP 19 Cb 0.41 1.62 -0.12 0.00 -0.02 0.00 0.00 41.12 43.00 1bnu n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bnu s PHE 20 N -3.36 1.73 0.55 1.24 0.08 0.64 -4.99 117.98 113.88 1bnu s PHE 20 Ca -0.07 -2.37 0.28 0.00 0.12 0.00 0.00 56.93 54.89 1bnu s PHE 20 Cb 0.12 -1.57 1.46 0.00 -0.57 0.00 0.00 43.02 42.46 1bnu s PHE 20 CO 0.88 -0.77 1.95 -1.00 -0.10 0.00 0.00 175.22 176.18 1bnu h PRO 21 N 6.34 0.00 0.00 0.24 0.13 -1.72 -0.81 132.00 136.18 1bnu h PRO 21 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1bnu h PRO 21 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1bnu h PRO 21 CO 0.44 0.00 0.21 0.97 -0.23 0.00 0.00 178.00 179.40 1bnu h ILE 22 N 0.00 0.00 -0.43 -3.56 6.09 -1.91 -1.73 117.51 115.97 1bnu h ILE 22 Ca 0.28 0.00 0.13 0.00 -1.37 0.00 0.00 64.86 63.89 1bnu h ILE 22 Cb 1.21 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 39.20 1bnu h ILE 22 CO -0.00 0.00 0.51 0.00 -3.07 0.00 0.00 178.15 175.59 1bnu h ALA 23 N 1.56 2.13 -0.49 0.18 0.00 -1.45 0.40 119.26 121.59 1bnu h ALA 23 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bnu h ALA 23 Cb 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bnu h ALA 23 CO 0.00 -0.73 0.02 1.63 0.00 0.00 0.00 179.25 180.17 1bnu n LYS 24 N -3.59 4.16 0.00 0.00 5.02 -0.65 -4.97 118.16 118.13 1bnu n LYS 24 Ca 0.08 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 1bnu n LYS 24 Cb 0.69 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1bnu n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnu n GLY 25 N 0.17 -1.34 0.07 0.72 0.00 0.14 -5.02 105.19 99.94 1bnu n GLY 25 Ca 0.27 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.80 1bnu n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bnu n GLU 26 N -0.77 0.48 -3.16 1.61 -0.58 -1.26 -4.44 120.64 112.52 1bnu n GLU 26 Ca 0.00 0.03 -0.20 0.00 -0.42 0.00 0.00 57.16 56.57 1bnu n GLU 26 Cb 0.00 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.14 1bnu n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1bnu n ARG 27 N -2.33 1.28 -2.72 3.49 1.85 -1.26 -4.82 116.66 112.14 1bnu n ARG 27 Ca 0.00 -3.59 -0.30 0.00 -1.00 0.00 0.00 57.85 52.96 1bnu n ARG 27 Cb 0.50 -1.74 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 1bnu n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bnu s GLN 28 N -2.44 3.78 0.19 2.89 -1.52 -1.26 -2.57 119.66 118.73 1bnu s GLN 28 Ca 0.41 0.54 0.08 0.00 -1.95 0.00 0.00 55.36 54.43 1bnu s GLN 28 Cb 0.32 -2.34 -0.04 0.00 -0.22 0.00 0.00 33.01 30.73 1bnu s GLN 28 CO -0.09 -0.11 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.57 1bnu s SER 29 N -3.25 2.54 0.89 5.90 0.01 -1.26 -4.65 113.70 113.87 1bnu s SER 29 Ca 0.52 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.69 1bnu s SER 29 Cb -0.10 -0.13 0.18 0.00 0.21 0.00 0.00 66.02 66.17 1bnu s SER 29 CO 0.33 -0.15 1.23 -2.16 0.41 0.00 0.00 173.24 172.90 1bnu s PRO 30 N -3.42 0.96 0.20 12.44 0.04 -1.26 -4.55 135.00 139.42 1bnu s PRO 30 Ca 0.20 -0.61 0.02 0.00 0.04 0.00 0.00 61.00 60.65 1bnu s PRO 30 Cb -0.02 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1bnu s PRO 30 CO 0.06 -2.12 0.03 0.14 0.04 0.00 0.00 177.00 175.15 1bnu s VAL 31 N -3.67 0.71 0.11 -0.36 -7.23 -1.26 0.17 120.40 108.87 1bnu s VAL 31 Ca 0.72 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.62 1bnu s VAL 31 Cb -0.04 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 1bnu s VAL 31 CO 0.50 -0.33 0.86 -0.62 -0.31 0.00 0.00 175.10 175.20 1bnu s ASP 32 N -3.23 7.39 -0.33 4.85 2.15 -1.26 -3.32 116.67 122.92 1bnu s ASP 32 Ca 0.28 1.66 -0.17 0.00 0.43 0.00 0.00 52.55 54.76 1bnu s ASP 32 Cb 0.06 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1bnu s ASP 32 CO 0.07 0.04 0.45 -0.63 -0.17 0.00 0.00 175.17 174.93 1bnu s ILE 33 N -0.35 5.09 -0.36 4.11 1.01 -0.02 -4.94 121.20 125.73 1bnu s ILE 33 Ca 0.41 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 1bnu s ILE 33 Cb -0.23 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1bnu s ILE 33 CO 0.27 -0.10 0.27 -0.62 0.00 0.00 0.00 174.94 174.76 1bnu s ASP 34 N 1.72 6.08 0.57 3.58 2.15 -1.26 -0.26 116.67 129.24 1bnu s ASP 34 Ca 0.16 -0.55 0.33 0.00 0.43 0.00 0.00 52.55 52.93 1bnu s ASP 34 Cb -0.16 -2.15 1.66 0.00 -0.30 0.00 0.00 42.92 41.98 1bnu s ASP 34 CO 0.12 -0.30 2.12 0.71 -0.17 0.00 0.00 175.17 177.64 1bnu h THR 35 N 5.53 0.27 0.00 1.71 1.35 -1.95 -1.65 112.91 118.16 1bnu h THR 35 Ca -0.30 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1bnu h THR 35 Cb 1.15 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1bnu h THR 35 CO 0.66 0.06 -0.73 0.45 -0.25 0.00 0.00 175.52 175.71 1bnu h HIS 36 N 0.00 0.00 -0.01 4.73 3.86 -2.02 -3.33 115.15 118.37 1bnu h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bnu h HIS 36 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1bnu h HIS 36 CO 0.00 0.11 -0.27 2.41 0.86 0.00 0.00 177.93 181.04 1bnu n THR 37 N -2.86 0.00 -2.56 2.45 -1.04 -0.74 -4.93 114.28 104.60 1bnu n THR 37 Ca 0.00 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.24 1bnu n THR 37 Cb 0.59 1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 70.29 1bnu n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bnu s ALA 38 N -1.82 3.36 -0.21 2.41 0.00 -0.70 -4.77 121.76 120.03 1bnu s ALA 38 Ca 0.15 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1bnu s ALA 38 Cb 0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1bnu s ALA 38 CO 0.37 -0.12 0.44 0.21 0.00 0.00 0.00 175.76 176.67 1bnu s LYS 39 N -0.69 4.15 0.03 0.00 2.20 0.20 -4.78 119.74 120.85 1bnu s LYS 39 Ca 0.47 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 1bnu s LYS 39 Cb -0.29 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.38 1bnu s LYS 39 CO 0.35 -0.13 1.81 -0.47 -0.36 0.00 0.00 175.35 176.55 1bnu s TYR 40 N 1.59 1.78 -0.38 4.03 5.04 -1.26 0.04 117.35 128.19 1bnu s TYR 40 Ca 0.20 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1bnu s TYR 40 Cb -0.15 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.17 1bnu s TYR 40 CO 0.09 -4.72 0.13 0.34 -1.34 0.00 0.00 175.55 170.05 1bnu s ASP 41 N 3.56 4.99 0.00 4.32 -1.08 -0.32 -4.86 116.67 123.28 1bnu s ASP 41 Ca 0.81 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.71 1bnu s ASP 41 Cb -0.40 -1.72 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1bnu s ASP 41 CO 0.36 -0.45 0.34 -0.81 0.52 0.00 0.00 175.17 175.13 1bnu n PRO 42 N 4.37 0.42 0.00 4.34 -0.04 -1.26 -2.10 135.00 140.73 1bnu n PRO 42 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.55 1bnu n PRO 42 Cb 0.41 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1bnu n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bnu n SER 43 N -0.20 1.31 -4.67 3.54 7.64 -1.26 -4.91 113.62 115.06 1bnu n SER 43 Ca 0.00 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 58.30 1bnu n SER 43 Cb 0.04 0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 1bnu n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1bnu s LEU 44 N -2.19 4.27 0.77 -3.43 1.02 -0.89 -5.01 118.68 113.21 1bnu s LEU 44 Ca 0.11 1.94 -0.11 0.00 0.02 0.00 0.00 54.13 56.09 1bnu s LEU 44 Cb 0.12 -3.55 0.05 0.00 0.02 0.00 0.00 46.19 42.83 1bnu s LEU 44 CO 0.45 -0.74 1.08 -0.54 0.02 0.00 0.00 176.35 176.62 1bnu s LYS 45 N 2.98 2.33 0.59 1.70 1.02 -1.21 -4.96 119.74 122.18 1bnu s LYS 45 Ca 0.61 0.84 -0.19 0.00 0.02 0.00 0.00 55.97 57.25 1bnu s LYS 45 Cb -0.27 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1bnu s LYS 45 CO 0.22 -1.50 1.22 -2.14 -0.92 0.00 0.00 175.35 172.24 1bnu s PRO 46 N -5.06 2.98 0.53 -1.68 0.02 -1.26 -2.89 135.00 127.64 1bnu s PRO 46 Ca 0.60 1.87 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 1bnu s PRO 46 Cb -0.15 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 1bnu s PRO 46 CO 0.55 -1.21 1.16 -0.51 -0.33 0.00 0.00 177.00 176.66 1bnu s LEU 47 N -4.02 3.81 -0.28 -5.54 1.43 -1.26 -1.43 118.68 111.38 1bnu s LEU 47 Ca 0.77 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 56.15 1bnu s LEU 47 Cb -0.32 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.50 1bnu s LEU 47 CO 0.34 -1.21 -0.00 -0.55 0.23 0.00 0.00 176.35 175.16 1bnu s SER 48 N -1.61 4.25 -0.48 2.29 0.15 0.40 -4.85 113.70 113.85 1bnu s SER 48 Ca 0.71 -1.59 -0.15 0.00 0.70 0.00 0.00 55.95 55.61 1bnu s SER 48 Cb -0.27 -1.31 0.08 0.00 -1.71 0.00 0.00 66.02 62.82 1bnu s SER 48 CO 0.31 -0.31 0.41 -0.69 1.20 0.00 0.00 173.24 174.15 1bnu s VAL 49 N 1.24 5.18 -0.83 4.45 1.01 -1.26 -1.20 120.40 128.99 1bnu s VAL 49 Ca 0.02 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1bnu s VAL 49 Cb -0.19 -4.14 0.21 0.00 0.00 0.00 0.00 36.38 32.27 1bnu s VAL 49 CO -0.10 -0.62 0.74 -0.44 0.00 0.00 0.00 175.10 174.68 1bnu s SER 50 N 2.74 6.33 -0.17 3.32 0.01 -0.24 -4.84 113.70 120.85 1bnu s SER 50 Ca 0.04 -3.06 0.16 0.00 1.31 0.00 0.00 55.95 54.40 1bnu s SER 50 Cb -0.25 -2.07 0.63 0.00 0.21 0.00 0.00 66.02 64.54 1bnu s SER 50 CO 0.06 -0.41 1.55 -1.22 0.41 0.00 0.00 173.24 173.63 1bnu n TYR 51 N 3.36 1.35 0.32 2.43 4.01 -1.26 -1.63 117.16 125.73 1bnu n TYR 51 Ca 0.15 -0.75 -0.17 0.00 -0.16 0.00 0.00 57.90 56.97 1bnu n TYR 51 Cb 0.42 -0.34 -0.09 0.00 -0.31 0.00 0.00 39.34 39.02 1bnu n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1bnu h ASP 52 N 2.89 -0.66 -0.36 7.72 3.58 -1.88 -3.05 116.42 124.66 1bnu h ASP 52 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1bnu h ASP 52 Cb 1.55 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.68 1bnu h ASP 52 CO 0.29 -0.43 0.19 0.00 -2.88 0.00 0.00 179.24 176.41 1bnu n GLN 53 N -5.40 1.83 -1.95 0.28 3.00 -1.25 -4.97 117.38 108.92 1bnu n GLN 53 Ca -0.12 -1.26 -0.41 0.00 -0.01 0.00 0.00 57.00 55.20 1bnu n GLN 53 Cb 0.33 -1.58 -0.02 0.00 0.00 0.00 0.00 30.24 28.97 1bnu n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bnu s ALA 54 N -1.46 3.64 -0.36 -1.58 0.00 -1.15 -4.49 121.76 116.34 1bnu s ALA 54 Ca 0.23 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1bnu s ALA 54 Cb 0.19 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.84 1bnu s ALA 54 CO 0.05 -0.82 0.09 0.99 0.00 0.00 0.00 175.76 176.08 1bnu s THR 55 N -0.24 2.54 0.44 0.00 2.01 -1.26 -4.91 115.64 114.21 1bnu s THR 55 Ca 0.58 -2.31 -0.21 0.00 0.31 0.00 0.00 61.69 60.07 1bnu s THR 55 Cb -0.43 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1bnu s THR 55 CO 0.47 -0.63 0.96 -0.94 -0.69 0.00 0.00 174.62 173.80 1bnu s SER 56 N 1.09 6.85 -0.08 3.53 1.04 -1.26 -1.22 113.70 123.65 1bnu s SER 56 Ca 0.11 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 1bnu s SER 56 Cb -0.20 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1bnu s SER 56 CO -0.07 -0.42 -0.11 0.18 0.98 0.00 0.00 173.24 173.80 1bnu n LEU 57 N -0.76 0.59 -3.81 2.42 4.77 0.10 -3.89 117.00 116.42 1bnu n LEU 57 Ca 0.07 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1bnu n LEU 57 Cb 0.54 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1bnu n LEU 57 CO 0.38 0.17 0.54 0.00 -1.33 0.00 0.00 177.39 177.15 1bnu s ARG 58 N -2.15 1.58 -0.01 3.23 1.70 -1.22 -1.32 118.95 120.75 1bnu s ARG 58 Ca -0.12 -0.86 0.05 0.00 -0.47 0.00 0.00 55.73 54.33 1bnu s ARG 58 Cb 0.04 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1bnu s ARG 58 CO 0.15 -0.72 -0.16 -1.50 -1.08 0.00 0.00 175.30 171.98 1bnu s ILE 59 N -3.71 1.30 -0.01 4.99 2.07 -0.80 -0.61 121.20 124.43 1bnu s ILE 59 Ca 0.11 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 1bnu s ILE 59 Cb -0.04 -1.08 0.01 0.00 0.13 0.00 0.00 42.46 41.47 1bnu s ILE 59 CO 0.05 0.36 0.01 -0.22 -1.91 0.00 0.00 174.94 173.22 1bnu s LEU 60 N -0.41 1.69 -0.36 8.50 2.96 -0.53 -1.18 118.68 129.36 1bnu s LEU 60 Ca 0.06 0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.81 1bnu s LEU 60 Cb -0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 46.19 46.58 1bnu s LEU 60 CO -0.01 -0.04 0.45 0.21 -1.32 0.00 0.00 176.35 175.65 1bnu s ASN 61 N 0.35 6.25 -0.01 3.68 3.84 -0.48 -0.62 114.94 127.95 1bnu s ASN 61 Ca -0.03 -0.18 0.20 0.00 0.21 0.00 0.00 52.86 53.06 1bnu s ASN 61 Cb -0.04 -2.24 0.59 0.00 -0.55 0.00 0.00 41.25 39.01 1bnu s ASN 61 CO -0.01 -0.45 1.49 -0.46 -2.79 0.00 0.00 177.10 174.89 1bnu n ASN 62 N 5.61 3.61 0.00 -4.21 0.23 -0.55 -0.46 115.26 119.48 1bnu n ASN 62 Ca -0.07 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1bnu n ASN 62 Cb 0.49 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1bnu n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bnu n GLY 63 N 1.51 2.88 0.00 4.83 0.00 -1.26 -4.76 105.19 108.39 1bnu n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bnu n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bnu n HIS 64 N -2.00 0.00 -3.83 1.61 1.44 -1.26 -4.65 115.22 106.53 1bnu n HIS 64 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 1bnu n HIS 64 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1bnu n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bnu n ALA 65 N -1.29 -2.13 -2.57 1.59 0.00 -1.26 -4.87 120.51 109.98 1bnu n ALA 65 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 53.44 51.94 1bnu n ALA 65 Cb 0.03 0.83 -0.12 0.00 0.00 0.00 0.00 19.45 20.20 1bnu n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bnu s PHE 66 N -2.16 2.85 -0.01 0.00 -0.12 -1.26 -1.49 117.98 115.79 1bnu s PHE 66 Ca 0.19 -0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.05 1bnu s PHE 66 Cb -0.04 -1.69 -0.03 0.00 -0.63 0.00 0.00 43.02 40.63 1bnu s PHE 66 CO 0.09 0.25 -0.18 -0.80 -0.05 0.00 0.00 175.22 174.54 1bnu s ASN 67 N -0.71 3.74 -0.27 1.98 0.02 0.21 -4.26 114.94 115.64 1bnu s ASN 67 Ca 0.11 -0.33 -0.08 0.00 -1.02 0.00 0.00 52.86 51.53 1bnu s ASN 67 Cb -0.11 -0.66 -0.02 0.00 0.02 0.00 0.00 41.25 40.48 1bnu s ASN 67 CO 0.01 0.31 0.10 -0.69 0.02 0.00 0.00 177.10 176.85 1bnu s VAL 68 N -0.77 4.42 0.07 1.60 1.01 -0.28 -1.46 120.40 124.99 1bnu s VAL 68 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1bnu s VAL 68 Cb -0.10 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1bnu s VAL 68 CO 0.02 0.25 0.34 -1.61 0.00 0.00 0.00 175.10 174.10 1bnu s GLU 69 N 1.62 3.65 0.11 2.72 2.02 0.22 -1.83 118.70 127.20 1bnu s GLU 69 Ca 0.06 -0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.13 1bnu s GLU 69 Cb -0.16 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1bnu s GLU 69 CO 0.05 0.56 -0.24 -0.06 0.02 0.00 0.00 175.26 175.59 1bnu s PHE 70 N -1.45 2.02 -0.39 1.61 0.40 -0.39 -0.72 117.98 119.06 1bnu s PHE 70 Ca 0.34 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 1bnu s PHE 70 Cb -0.13 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.30 1bnu s PHE 70 CO 0.20 0.26 1.41 0.34 0.70 0.00 0.00 175.22 178.12 1bnu s ASP 71 N -1.93 6.38 -0.33 1.36 2.15 -0.35 -4.79 116.67 119.17 1bnu s ASP 71 Ca 0.10 0.92 0.09 0.00 0.43 0.00 0.00 52.55 54.09 1bnu s ASP 71 Cb -0.10 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.57 1bnu s ASP 71 CO 0.05 -1.38 1.64 -0.90 -0.17 0.00 0.00 175.17 174.41 1bnu n ASP 72 N 8.64 3.34 0.00 -0.34 5.75 -1.26 -4.64 116.55 128.04 1bnu n ASP 72 Ca 0.16 -3.56 0.13 0.00 -0.01 0.00 0.00 54.79 51.51 1bnu n ASP 72 Cb 0.48 -0.70 0.57 0.00 -1.03 0.00 0.00 41.12 40.44 1bnu n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bnu n SER 73 N -0.92 0.00 -3.99 -1.12 3.41 -1.26 -4.82 113.62 104.92 1bnu n SER 73 Ca 0.41 0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 59.40 1bnu n SER 73 Cb 1.25 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 64.64 1bnu n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bnu s GLN 74 N -2.98 1.09 -1.00 4.33 -1.52 -1.26 -5.06 119.66 113.26 1bnu s GLN 74 Ca 0.13 -1.22 -0.21 0.00 -1.95 0.00 0.00 55.36 52.12 1bnu s GLN 74 Cb 0.17 0.35 -0.10 0.00 -0.22 0.00 0.00 33.01 33.21 1bnu s GLN 74 CO 0.48 -0.38 1.95 -0.25 -0.25 0.00 0.00 175.29 176.84 1bnu n ASP 75 N -0.18 3.01 -0.07 5.90 8.00 -1.26 -4.66 116.55 127.29 1bnu n ASP 75 Ca -0.07 -2.72 -0.05 0.00 0.71 0.00 0.00 54.79 52.66 1bnu n ASP 75 Cb 0.63 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.33 1bnu n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bnu n LYS 76 N 7.31 0.44 -3.78 -1.24 5.02 -1.26 -4.79 118.16 119.86 1bnu n LYS 76 Ca 0.49 0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 56.90 1bnu n LYS 76 Cb 0.42 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 1bnu n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnu s ALA 77 N -2.76 3.03 0.21 7.82 0.00 -1.26 -3.82 121.76 124.98 1bnu s ALA 77 Ca -0.15 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1bnu s ALA 77 Cb 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1bnu s ALA 77 CO 0.23 -1.02 -0.13 0.14 0.00 0.00 0.00 175.76 174.98 1bnu s VAL 78 N 1.46 1.70 -0.03 0.00 -7.23 -0.65 -1.22 120.40 114.43 1bnu s VAL 78 Ca 0.01 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.05 1bnu s VAL 78 Cb -0.18 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1bnu s VAL 78 CO 0.02 -0.56 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.79 1bnu s LEU 79 N -3.33 2.04 0.35 1.32 0.20 0.40 -1.08 118.68 118.59 1bnu s LEU 79 Ca 0.23 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 1bnu s LEU 79 Cb -0.00 -1.27 0.01 0.00 -0.43 0.00 0.00 46.19 44.50 1bnu s LEU 79 CO 0.07 0.27 0.53 -0.54 -0.29 0.00 0.00 176.35 176.40 1bnu s LYS 80 N -0.41 1.97 2.89 1.98 1.02 -0.34 -1.67 119.74 125.17 1bnu s LYS 80 Ca 0.05 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.34 1bnu s LYS 80 Cb -0.11 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1bnu s LYS 80 CO 0.01 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1bnu n GLY 81 N -0.56 -0.27 7.00 -3.33 0.00 -1.26 -0.45 105.19 106.32 1bnu n GLY 81 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1bnu n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnu n GLY 82 N 0.00 3.36 0.13 -0.02 0.00 -0.52 -1.49 105.19 106.65 1bnu n GLY 82 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1bnu n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bnu n PRO 83 N 14.00 1.02 -3.27 1.61 -0.04 -1.26 -3.35 135.00 143.72 1bnu n PRO 83 Ca 0.00 -0.26 -0.28 0.00 -0.04 0.00 0.00 63.50 62.93 1bnu n PRO 83 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1bnu n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bnu s LEU 84 N -2.16 4.00 -0.12 1.53 1.43 -0.56 -5.07 118.68 117.74 1bnu s LEU 84 Ca 0.40 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 1bnu s LEU 84 Cb 0.21 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1bnu s LEU 84 CO 0.39 -0.25 -0.14 -1.81 0.23 0.00 0.00 176.35 174.77 1bnu s ASP 85 N -3.39 2.45 0.00 2.29 1.01 -1.26 -4.42 116.67 113.36 1bnu s ASP 85 Ca 0.44 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1bnu s ASP 85 Cb -0.10 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.75 1bnu s ASP 85 CO 0.32 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.29 1bnu n GLY 86 N 4.43 0.57 3.59 0.21 0.00 -1.26 -4.97 105.19 107.76 1bnu n GLY 86 Ca -0.18 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 1bnu n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnu s THR 87 N -1.11 4.55 -0.17 2.61 2.01 -1.26 -4.60 115.64 117.67 1bnu s THR 87 Ca 0.00 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1bnu s THR 87 Cb 0.00 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1bnu s THR 87 CO 0.00 0.46 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.99 1bnu s TYR 88 N 0.47 2.90 0.10 4.92 1.51 -0.67 -1.74 117.35 124.83 1bnu s TYR 88 Ca 0.02 -0.75 -0.25 0.00 -1.01 0.00 0.00 57.07 55.08 1bnu s TYR 88 Cb -0.13 -1.96 -0.07 0.00 -0.11 0.00 0.00 41.96 39.69 1bnu s TYR 88 CO 0.01 -0.34 0.76 1.03 -1.11 0.00 0.00 175.55 175.90 1bnu s ARG 89 N 0.81 4.51 0.04 -0.62 0.52 -0.40 -0.45 118.95 123.36 1bnu s ARG 89 Ca -0.03 1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 1bnu s ARG 89 Cb -0.15 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1bnu s ARG 89 CO 0.01 0.44 1.31 -1.17 0.02 0.00 0.00 175.30 175.91 1bnu s LEU 90 N -0.63 4.34 -0.07 2.53 2.96 -0.36 -2.15 118.68 125.30 1bnu s LEU 90 Ca 0.37 2.09 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 1bnu s LEU 90 Cb -0.22 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 1bnu s LEU 90 CO 0.24 -0.61 -0.00 0.00 -1.32 0.00 0.00 176.35 174.66 1bnu n ILE 91 N 4.27 0.44 -3.60 6.68 3.06 -0.59 -4.51 119.36 125.11 1bnu n ILE 91 Ca 0.11 -0.24 -0.06 0.00 -2.50 0.00 0.00 62.75 60.05 1bnu n ILE 91 Cb 0.45 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 1bnu n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bnu s GLN 92 N -2.15 0.96 0.05 9.51 1.03 -1.24 -1.26 119.66 126.55 1bnu s GLN 92 Ca -0.05 -0.44 0.00 0.00 0.04 0.00 0.00 55.36 54.92 1bnu s GLN 92 Cb 0.02 0.39 -0.03 0.00 0.03 0.00 0.00 33.01 33.42 1bnu s GLN 92 CO 0.24 -0.43 -0.04 -0.59 -2.54 0.00 0.00 175.29 171.93 1bnu s PHE 93 N -3.18 0.52 0.34 9.60 -0.12 -0.76 -1.39 117.98 123.00 1bnu s PHE 93 Ca 0.08 -0.77 -0.12 0.00 -0.05 0.00 0.00 56.93 56.07 1bnu s PHE 93 Cb -0.01 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 42.06 1bnu s PHE 93 CO -0.05 -0.23 0.65 -3.38 -0.05 0.00 0.00 175.22 172.16 1bnu s HIS 94 N -2.63 0.39 0.11 3.49 -3.43 -0.92 -1.13 115.29 111.18 1bnu s HIS 94 Ca -0.03 -0.87 0.04 0.00 -0.80 0.00 0.00 55.06 53.39 1bnu s HIS 94 Cb -0.01 0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1bnu s HIS 94 CO -0.04 -1.33 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.21 1bnu s PHE 95 N -2.94 1.09 -0.09 0.38 0.40 -1.26 -1.11 117.98 114.46 1bnu s PHE 95 Ca 0.20 -0.75 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1bnu s PHE 95 Cb -0.03 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.92 1bnu s PHE 95 CO 0.13 -0.01 -0.16 -1.01 0.70 0.00 0.00 175.22 174.87 1bnu s HIS 96 N -3.02 1.91 0.17 0.36 3.76 -0.19 -4.76 115.29 113.52 1bnu s HIS 96 Ca 0.11 -0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 1bnu s HIS 96 Cb 0.01 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 1bnu s HIS 96 CO -0.01 -0.37 0.11 1.67 -0.85 0.00 0.00 174.74 175.29 1bnu s TRP 97 N 0.65 1.01 0.53 1.40 -2.14 -1.24 -0.55 118.94 118.60 1bnu s TRP 97 Ca -0.14 -1.30 0.08 0.00 2.66 0.00 0.00 56.10 57.40 1bnu s TRP 97 Cb -0.16 -0.50 0.05 0.00 -3.10 0.00 0.00 33.47 29.76 1bnu s TRP 97 CO 0.04 -0.60 0.59 0.20 -2.66 0.00 0.00 176.95 174.51 1bnu s GLY 98 N -3.11 2.03 0.01 3.67 0.00 -1.11 -1.19 107.32 107.62 1bnu s GLY 98 Ca 0.32 -1.76 0.25 0.00 0.00 0.00 0.00 44.72 43.53 1bnu s GLY 98 CO 0.08 -1.77 1.35 -1.14 0.00 0.00 0.00 173.10 171.62 1bnu n SER 99 N -1.96 0.56 -4.13 1.64 3.41 -1.26 -4.23 113.62 107.64 1bnu n SER 99 Ca 0.07 -0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.30 1bnu n SER 99 Cb 0.62 0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 1bnu n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnu s LEU 100 N -3.11 2.49 0.00 1.04 2.01 -1.26 -5.06 118.68 114.79 1bnu s LEU 100 Ca 0.10 -0.98 0.17 0.00 0.01 0.00 0.00 54.13 53.42 1bnu s LEU 100 Cb 0.17 0.03 0.83 0.00 0.01 0.00 0.00 46.19 47.23 1bnu s LEU 100 CO 0.72 -0.51 1.48 0.47 1.01 0.00 0.00 176.35 179.53 1bnu n ASP 101 N 0.08 0.00 -1.30 2.29 8.00 -1.26 -2.96 116.55 121.40 1bnu n ASP 101 Ca -0.13 0.07 0.10 0.00 0.71 0.00 0.00 54.79 55.55 1bnu n ASP 101 Cb 0.61 -0.30 0.31 0.00 -0.02 0.00 0.00 41.12 41.72 1bnu n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bnu n GLY 102 N 0.12 2.24 3.34 0.44 0.00 -1.26 -3.57 105.19 106.51 1bnu n GLY 102 Ca 0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1bnu n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bnu s GLN 103 N -1.25 0.98 0.00 1.61 -2.07 -1.15 -4.70 119.66 113.07 1bnu s GLN 103 Ca 0.46 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 1bnu s GLN 103 Cb 0.25 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.61 1bnu s GLN 103 CO 0.29 -0.35 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 1bnu n GLY 104 N 0.37 2.11 3.79 2.60 0.00 -0.98 -2.79 105.19 110.29 1bnu n GLY 104 Ca -0.18 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1bnu n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnu s SER 105 N 0.00 4.78 -0.20 1.61 1.04 -0.35 -3.61 113.70 116.96 1bnu s SER 105 Ca 0.00 1.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 1bnu s SER 105 Cb 0.00 -2.49 -0.12 0.00 0.10 0.00 0.00 66.02 63.52 1bnu s SER 105 CO 0.00 -1.85 -0.09 -0.62 0.98 0.00 0.00 173.24 171.67 1bnu n GLU 106 N -3.40 0.53 -2.53 4.02 1.02 -1.26 -4.84 120.64 114.19 1bnu n GLU 106 Ca 0.08 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.33 1bnu n GLU 106 Cb 0.53 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1bnu n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bnu s HIS 107 N -2.43 3.07 0.21 -0.32 3.76 -1.26 -4.41 115.29 113.90 1bnu s HIS 107 Ca -0.27 1.60 0.08 0.00 -0.15 0.00 0.00 55.06 56.31 1bnu s HIS 107 Cb 0.06 -3.10 -0.05 0.00 1.11 0.00 0.00 32.58 30.61 1bnu s HIS 107 CO 0.45 -0.80 -0.14 0.95 -0.85 0.00 0.00 174.74 174.35 1bnu s THR 108 N -1.87 1.73 -0.15 1.30 -4.23 -1.21 -4.71 115.64 106.51 1bnu s THR 108 Ca 0.64 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1bnu s THR 108 Cb -0.18 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1bnu s THR 108 CO 0.23 -0.58 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.90 1bnu s VAL 109 N -2.98 1.54 -1.57 2.29 1.01 -0.51 -0.84 120.40 119.34 1bnu s VAL 109 Ca 0.23 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1bnu s VAL 109 Cb -0.01 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 35.00 1bnu s VAL 109 CO 0.07 0.44 0.60 0.47 0.00 0.00 0.00 175.10 176.68 1bnu n ASP 110 N 4.78 -1.88 0.00 3.32 8.00 0.64 -0.03 116.55 131.37 1bnu n ASP 110 Ca -0.17 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1bnu n ASP 110 Cb 0.50 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 1bnu n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bnu n LYS 111 N -4.41 0.00 -2.25 -1.24 4.76 -1.26 -4.99 118.16 108.77 1bnu n LYS 111 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 1bnu n LYS 111 Cb 0.58 -3.29 -0.03 0.00 -1.84 0.00 0.00 35.03 30.46 1bnu n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bnu s LYS 112 N -0.38 4.24 -0.04 1.97 2.20 0.95 -4.98 119.74 123.70 1bnu s LYS 112 Ca 0.00 1.90 -0.17 0.00 -0.36 0.00 0.00 55.97 57.34 1bnu s LYS 112 Cb 0.00 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 1bnu s LYS 112 CO 0.00 -0.70 0.45 0.15 -0.36 0.00 0.00 175.35 174.90 1bnu s LYS 113 N 3.30 4.14 0.62 4.03 1.02 -1.26 -1.42 119.74 130.16 1bnu s LYS 113 Ca 0.63 0.46 0.06 0.00 0.02 0.00 0.00 55.97 57.14 1bnu s LYS 113 Cb -0.28 -3.32 0.10 0.00 -0.52 0.00 0.00 37.83 33.81 1bnu s LYS 113 CO 0.23 0.45 0.85 0.71 -0.92 0.00 0.00 175.35 176.67 1bnu s TYR 114 N -0.33 1.58 -0.41 3.18 1.51 -1.26 -4.62 117.35 117.00 1bnu s TYR 114 Ca 0.25 -0.53 0.23 0.00 -1.01 0.00 0.00 57.07 56.01 1bnu s TYR 114 Cb -0.16 -2.51 0.39 0.00 -0.11 0.00 0.00 41.96 39.56 1bnu s TYR 114 CO 0.13 -1.30 1.63 0.00 -1.11 0.00 0.00 175.55 174.89 1bnu h ALA 115 N -0.05 1.00 -2.33 3.71 0.00 -1.46 -0.82 119.26 119.31 1bnu h ALA 115 Ca -0.33 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.75 1bnu h ALA 115 Cb 1.28 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1bnu h ALA 115 CO 0.41 0.01 0.49 0.00 0.00 0.00 0.00 179.25 180.15 1bnu s ALA 116 N -3.23 -1.68 -0.06 0.00 0.00 -1.20 -2.77 121.76 112.82 1bnu s ALA 116 Ca 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1bnu s ALA 116 Cb 0.05 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1bnu s ALA 116 CO 0.66 -1.01 0.15 -2.00 0.00 0.00 0.00 175.76 173.56 1bnu s GLU 117 N -3.26 0.13 -0.20 0.00 2.12 0.28 -0.96 118.70 116.81 1bnu s GLU 117 Ca 0.12 0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.65 1bnu s GLU 117 Cb -0.01 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 1bnu s GLU 117 CO 0.01 -0.11 0.16 -1.17 -0.54 0.00 0.00 175.26 173.61 1bnu s LEU 118 N 0.74 4.20 -0.21 2.70 2.96 0.36 -1.02 118.68 128.40 1bnu s LEU 118 Ca -0.06 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1bnu s LEU 118 Cb -0.07 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1bnu s LEU 118 CO -0.04 0.15 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.03 1bnu s HIS 119 N 0.50 2.92 -0.38 5.38 3.76 -0.27 -0.79 115.29 126.42 1bnu s HIS 119 Ca 0.09 -1.43 -0.14 0.00 -0.15 0.00 0.00 55.06 53.43 1bnu s HIS 119 Cb -0.12 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1bnu s HIS 119 CO -0.00 -0.71 0.28 -0.51 -0.85 0.00 0.00 174.74 172.95 1bnu s LEU 120 N 1.35 4.86 -0.18 0.89 1.43 -0.16 -2.15 118.68 124.72 1bnu s LEU 120 Ca 0.04 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1bnu s LEU 120 Cb -0.15 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1bnu s LEU 120 CO -0.08 -0.37 0.38 -0.69 0.23 0.00 0.00 176.35 175.83 1bnu s VAL 121 N 1.72 5.22 0.07 -1.59 1.01 -0.48 -1.75 120.40 124.60 1bnu s VAL 121 Ca 0.06 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.81 1bnu s VAL 121 Cb -0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1bnu s VAL 121 CO 0.10 0.30 -0.20 -1.00 0.00 0.00 0.00 175.10 174.30 1bnu s HIS 122 N 1.01 1.72 0.15 5.22 3.76 0.11 -1.54 115.29 125.72 1bnu s HIS 122 Ca 0.19 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.81 1bnu s HIS 122 Cb -0.14 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 1bnu s HIS 122 CO 0.07 0.13 -0.23 1.67 -0.85 0.00 0.00 174.74 175.53 1bnu s TRP 123 N -0.96 2.10 -0.34 1.40 1.48 -0.92 -0.90 118.94 120.79 1bnu s TRP 123 Ca 0.06 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1bnu s TRP 123 Cb -0.09 -1.09 0.01 0.00 -1.16 0.00 0.00 33.47 31.14 1bnu s TRP 123 CO 0.03 0.36 1.22 1.21 -4.06 0.00 0.00 176.95 175.70 1bnu s ASN 124 N -2.33 6.72 0.61 -2.66 3.84 0.39 -1.27 114.94 120.25 1bnu s ASN 124 Ca 0.15 1.02 0.39 0.00 0.21 0.00 0.00 52.86 54.63 1bnu s ASN 124 Cb -0.09 -2.54 1.98 0.00 -0.55 0.00 0.00 41.25 40.05 1bnu s ASN 124 CO 0.07 -1.07 2.22 0.71 -2.79 0.00 0.00 177.10 176.24 1bnu h THR 125 N 5.97 0.09 -1.07 -5.21 1.35 -1.69 -1.26 112.91 111.09 1bnu h THR 125 Ca -0.24 -0.22 0.30 0.00 -0.55 0.00 0.00 66.41 65.70 1bnu h THR 125 Cb 1.08 1.20 -0.12 0.00 -1.73 0.00 0.00 68.15 68.58 1bnu h THR 125 CO 1.05 0.01 0.67 0.50 -0.25 0.00 0.00 175.52 177.50 1bnu h LYS 127 N 0.00 0.35 -0.31 4.72 3.64 -1.91 -1.40 116.57 121.66 1bnu h LYS 127 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1bnu h LYS 127 Cb 0.19 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1bnu h LYS 127 CO 0.00 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 178.08 1bnu n TYR 128 N -4.76 0.41 0.00 1.91 4.01 -0.48 -4.98 117.16 113.27 1bnu n TYR 128 Ca 0.29 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1bnu n TYR 128 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1bnu n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bnu n GLY 129 N 1.07 1.51 3.40 2.72 0.00 -0.53 -4.42 105.19 108.95 1bnu n GLY 129 Ca 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1bnu n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bnu s ASP 130 N 0.00 0.02 0.21 1.61 1.47 -1.26 -5.04 116.67 113.69 1bnu s ASP 130 Ca 0.00 -1.14 -0.08 0.00 1.18 0.00 0.00 52.55 52.50 1bnu s ASP 130 Cb 0.00 0.49 0.27 0.00 -0.34 0.00 0.00 42.92 43.34 1bnu s ASP 130 CO 0.00 -1.00 1.80 0.15 0.68 0.00 0.00 175.17 176.80 1bnu h PHE 131 N 2.43 0.68 -0.90 2.11 3.57 -1.94 -1.47 116.94 121.41 1bnu h PHE 131 Ca -0.31 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1bnu h PHE 131 Cb 1.25 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 1bnu h PHE 131 CO 0.38 0.30 0.51 0.78 -2.23 0.00 0.00 178.31 178.05 1bnu h GLY 132 N 0.67 1.33 1.15 2.40 0.00 -1.96 -1.60 103.07 105.06 1bnu h GLY 132 Ca 0.32 -0.58 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 1bnu h GLY 132 CO -0.21 0.56 -0.62 0.50 0.00 0.00 0.00 176.54 176.78 1bnu h LYS 133 N 1.25 0.85 -0.70 4.80 6.56 -1.70 -3.20 116.57 124.43 1bnu h LYS 133 Ca 0.32 -0.59 0.07 0.00 -1.06 0.00 0.00 60.65 59.39 1bnu h LYS 133 Cb -0.01 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.70 1bnu h LYS 133 CO -0.05 1.21 0.46 0.00 -2.06 0.00 0.00 179.45 179.01 1bnu h ALA 134 N 0.63 1.77 0.00 3.86 0.00 -0.66 -0.28 119.26 124.58 1bnu h ALA 134 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bnu h ALA 134 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1bnu h ALA 134 CO 0.13 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1bnu n VAL 135 N -4.48 0.00 0.12 0.00 0.24 -0.66 -2.00 118.33 111.55 1bnu n VAL 135 Ca 0.10 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.48 1bnu n VAL 135 Cb 0.26 -0.19 0.16 0.00 -1.47 0.00 0.00 33.84 32.60 1bnu n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnu n GLN 136 N -0.32 2.15 -4.56 7.34 6.02 -0.12 -4.95 117.38 122.95 1bnu n GLN 136 Ca 0.00 -1.94 -0.26 0.00 -0.01 0.00 0.00 57.00 54.79 1bnu n GLN 136 Cb 0.07 -1.35 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 1bnu n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bnu s GLN 137 N -1.13 1.37 0.58 -1.09 -1.52 -0.85 -5.02 119.66 112.00 1bnu s GLN 137 Ca 0.27 -1.05 0.32 0.00 -1.95 0.00 0.00 55.36 52.95 1bnu s GLN 137 Cb 0.16 -1.56 1.79 0.00 -0.22 0.00 0.00 33.01 33.17 1bnu s GLN 137 CO 0.21 0.39 2.21 -1.00 -0.25 0.00 0.00 175.29 176.85 1bnu h PRO 138 N 4.58 0.00 -0.08 2.91 0.13 -1.84 -1.53 132.00 136.16 1bnu h PRO 138 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1bnu h PRO 138 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1bnu h PRO 138 CO 0.42 0.04 -0.63 -0.40 -0.23 0.00 0.00 178.00 177.21 1bnu n ASP 139 N -3.62 1.92 0.05 1.44 5.75 -1.26 -4.19 116.55 116.65 1bnu n ASP 139 Ca -0.02 -3.56 -0.07 0.00 -0.01 0.00 0.00 54.79 51.13 1bnu n ASP 139 Cb 0.14 -0.47 0.10 0.00 -1.03 0.00 0.00 41.12 39.86 1bnu n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bnu h GLY 140 N 1.15 0.42 -3.31 6.12 0.00 -0.95 -3.43 103.07 103.08 1bnu h GLY 140 Ca -0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 47.33 46.40 1bnu h GLY 140 CO 0.09 0.44 -0.76 1.08 0.00 0.00 0.00 176.54 177.40 1bnu s LEU 141 N -8.15 2.45 -0.05 3.11 1.43 -0.04 -0.46 118.68 116.97 1bnu s LEU 141 Ca -0.06 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1bnu s LEU 141 Cb 0.12 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.75 1bnu s LEU 141 CO 0.81 -0.14 -0.03 0.00 0.23 0.00 0.00 176.35 177.23 1bnu s ALA 142 N -2.35 0.63 -0.07 4.21 0.00 -0.08 -0.77 121.76 123.32 1bnu s ALA 142 Ca 0.13 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1bnu s ALA 142 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1bnu s ALA 142 CO 0.04 -0.15 -0.19 0.08 0.00 0.00 0.00 175.76 175.54 1bnu s VAL 143 N 1.23 2.55 -0.22 0.00 1.01 -0.89 -0.71 120.40 123.38 1bnu s VAL 143 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1bnu s VAL 143 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1bnu s VAL 143 CO -0.02 0.56 0.11 -0.22 0.00 0.00 0.00 175.10 175.53 1bnu s LEU 144 N -0.17 3.86 -0.03 3.92 0.20 -0.72 -1.42 118.68 124.33 1bnu s LEU 144 Ca -0.02 0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.89 1bnu s LEU 144 Cb -0.14 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1bnu s LEU 144 CO 0.04 0.08 -0.18 -0.83 -0.29 0.00 0.00 176.35 175.17 1bnu s GLY 145 N 0.92 1.47 -0.03 7.98 0.00 0.24 -0.99 107.32 116.91 1bnu s GLY 145 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1bnu s GLY 145 CO 0.03 -0.86 -0.01 -0.42 0.00 0.00 0.00 173.10 171.83 1bnu s ILE 146 N -0.73 0.24 0.37 0.90 1.01 0.03 -1.99 121.20 121.03 1bnu s ILE 146 Ca 0.12 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.58 1bnu s ILE 146 Cb -0.10 -0.30 -0.10 0.00 0.01 0.00 0.00 42.46 41.96 1bnu s ILE 146 CO 0.01 0.14 0.89 -0.36 0.00 0.00 0.00 174.94 175.62 1bnu s PHE 147 N 0.82 3.42 -0.11 3.97 0.08 -1.26 -0.49 117.98 124.41 1bnu s PHE 147 Ca -0.09 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.54 1bnu s PHE 147 Cb -0.12 -2.78 -0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1bnu s PHE 147 CO -0.01 0.02 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.42 1bnu s LEU 148 N -2.84 2.28 0.25 -0.37 1.02 -0.13 -1.69 118.68 117.20 1bnu s LEU 148 Ca 0.57 -0.49 0.09 0.00 0.02 0.00 0.00 54.13 54.32 1bnu s LEU 148 Cb -0.12 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1bnu s LEU 148 CO 0.16 0.16 -0.02 -1.59 0.02 0.00 0.00 176.35 175.09 1bnu s LYS 149 N 0.36 2.27 -0.05 1.70 -2.85 -0.32 -2.02 119.74 118.82 1bnu s LYS 149 Ca -0.16 -1.39 -0.23 0.00 -1.00 0.00 0.00 55.97 53.19 1bnu s LYS 149 Cb -0.17 -2.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.39 1bnu s LYS 149 CO 0.08 0.38 0.67 0.08 0.10 0.00 0.00 175.35 176.66 1bnu s VAL 150 N -2.23 5.01 0.00 1.79 1.01 -1.26 -0.48 120.40 124.25 1bnu s VAL 150 Ca 0.30 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1bnu s VAL 150 Cb -0.07 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1bnu s VAL 150 CO 0.19 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1bnu n GLY 151 N 2.96 1.18 3.80 4.51 0.00 0.61 -4.86 105.19 113.39 1bnu n GLY 151 Ca -0.03 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1bnu n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bnu s SER 152 N 2.00 5.76 0.49 1.61 0.01 -1.26 -3.74 113.70 118.58 1bnu s SER 152 Ca 0.00 1.82 -0.22 0.00 1.31 0.00 0.00 55.95 58.85 1bnu s SER 152 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1bnu s SER 152 CO 0.00 -1.18 1.24 0.00 0.41 0.00 0.00 173.24 173.71 1bnu s ALA 153 N -2.46 2.91 -0.36 1.44 0.00 -1.26 -2.81 121.76 119.22 1bnu s ALA 153 Ca 0.64 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1bnu s ALA 153 Cb -0.16 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1bnu s ALA 153 CO 0.37 -0.94 0.32 0.21 0.00 0.00 0.00 175.76 175.73 1bnu s LYS 154 N -2.79 3.41 0.17 0.00 2.47 -1.25 -4.80 119.74 116.95 1bnu s LYS 154 Ca 0.67 -0.61 -0.16 0.00 -1.56 0.00 0.00 55.97 54.31 1bnu s LYS 154 Cb -0.33 -3.85 0.12 0.00 -1.46 0.00 0.00 37.83 32.31 1bnu s LYS 154 CO 0.40 -0.57 1.69 -1.35 0.16 0.00 0.00 175.35 175.67 1bnu h PRO 155 N 8.53 0.07 -0.05 4.03 0.11 -1.93 -2.27 132.00 140.49 1bnu h PRO 155 Ca -0.29 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1bnu h PRO 155 Cb 1.14 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bnu h PRO 155 CO 0.69 0.05 0.11 0.78 -0.21 0.00 0.00 178.00 179.42 1bnu h GLY 156 N 0.08 0.00 1.77 -0.55 0.00 -1.94 -2.45 103.07 99.97 1bnu h GLY 156 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 1bnu h GLY 156 CO -0.37 0.00 -0.81 -2.00 0.00 0.00 0.00 176.54 173.36 1bnu h LEU 157 N 0.00 0.00 -1.73 3.11 5.85 -1.65 -3.38 115.31 117.51 1bnu h LEU 157 Ca 0.02 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1bnu h LEU 157 Cb 0.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1bnu h LEU 157 CO -0.00 0.63 0.34 -0.61 -0.34 0.00 0.00 178.44 178.45 1bnu h GLN 158 N 0.00 0.30 -0.49 1.25 5.75 -1.47 -0.32 115.11 120.13 1bnu h GLN 158 Ca -0.05 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1bnu h GLN 158 Cb 1.52 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.97 1bnu h GLN 158 CO 0.07 0.20 0.32 0.87 -2.65 0.00 0.00 178.83 177.64 1bnu h LYS 159 N 0.31 0.65 -0.04 1.69 6.56 -1.79 -0.53 116.57 123.43 1bnu h LYS 159 Ca 0.23 -0.04 -0.15 0.00 -1.06 0.00 0.00 60.65 59.62 1bnu h LYS 159 Cb 0.48 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1bnu h LYS 159 CO -0.05 0.44 -0.57 0.28 -2.06 0.00 0.00 179.45 177.49 1bnu h VAL 160 N 0.67 1.40 -0.84 0.50 2.07 -1.33 -3.18 116.25 115.54 1bnu h VAL 160 Ca 0.18 -1.98 0.01 0.00 0.82 0.00 0.00 66.70 65.72 1bnu h VAL 160 Cb -0.06 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1bnu h VAL 160 CO -0.04 0.58 0.54 0.58 0.02 0.00 0.00 177.57 179.26 1bnu h VAL 161 N -0.01 1.22 0.00 2.57 2.07 -1.21 -2.22 116.25 118.67 1bnu h VAL 161 Ca -0.06 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1bnu h VAL 161 Cb 1.26 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1bnu h VAL 161 CO 0.11 0.22 -0.26 0.44 0.02 0.00 0.00 177.57 178.11 1bnu h ASP 162 N 1.14 0.00 1.11 0.57 3.32 -1.13 -2.99 116.42 118.43 1bnu h ASP 162 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1bnu h ASP 162 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1bnu h ASP 162 CO -0.06 0.26 -0.56 0.58 -1.72 0.00 0.00 179.24 177.73 1bnu h VAL 163 N 0.00 0.00 -0.30 -1.35 2.07 -1.39 -3.38 116.25 111.90 1bnu h VAL 163 Ca -0.00 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.93 1bnu h VAL 163 Cb 0.74 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1bnu h VAL 163 CO 0.03 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.79 1bnu h LEU 164 N 0.00 0.00 -1.76 2.57 3.38 -1.36 -0.45 115.31 117.69 1bnu h LEU 164 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bnu h LEU 164 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1bnu h LEU 164 CO 0.00 0.00 -0.08 -0.78 0.09 0.00 0.00 178.44 177.67 1bnu h ASP 165 N 0.00 0.05 0.55 -0.43 1.82 -1.79 -1.32 116.42 115.30 1bnu h ASP 165 Ca 0.14 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1bnu h ASP 165 Cb 0.62 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1bnu h ASP 165 CO -0.00 0.14 -0.20 -1.54 -1.61 0.00 0.00 179.24 176.02 1bnu n SER 166 N -4.41 0.39 -2.33 2.28 3.41 -0.18 -3.50 113.62 109.28 1bnu n SER 166 Ca -0.02 -0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.13 1bnu n SER 166 Cb 0.17 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1bnu n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bnu n ILE 167 N -1.23 2.24 -0.31 -1.33 -5.35 -0.51 -4.71 119.36 108.16 1bnu n ILE 167 Ca 0.10 -4.34 0.01 0.00 -0.27 0.00 0.00 62.75 58.25 1bnu n ILE 167 Cb 0.31 -0.87 0.19 0.00 -1.74 0.00 0.00 39.64 37.54 1bnu n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bnu h LYS 168 N 2.45 1.13 -6.03 6.28 3.64 -1.56 -3.43 116.57 119.04 1bnu h LYS 168 Ca 0.26 -0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 59.00 1bnu h LYS 168 Cb 1.22 -0.25 -0.10 0.00 -0.41 0.00 0.00 32.23 32.69 1bnu h LYS 168 CO 0.73 0.75 -0.60 0.95 -2.27 0.00 0.00 179.45 179.01 1bnu s THR 169 N -5.98 2.71 -0.13 1.00 -4.23 -1.26 -0.67 115.64 107.08 1bnu s THR 169 Ca -0.12 -1.92 -0.39 0.00 -1.18 0.00 0.00 61.69 58.08 1bnu s THR 169 Cb 0.19 -2.83 -0.16 0.00 1.34 0.00 0.00 72.50 71.04 1bnu s THR 169 CO 0.80 -0.20 1.58 1.17 -0.54 0.00 0.00 174.62 177.43 1bnu n LYS 170 N -0.98 1.16 -0.03 3.99 4.81 0.23 -2.03 118.16 125.30 1bnu n LYS 170 Ca -0.04 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1bnu n LYS 170 Cb 0.62 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1bnu n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bnu n GLY 171 N 3.52 1.05 3.80 3.14 0.00 8.36 -4.61 105.19 120.45 1bnu n GLY 171 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1bnu n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnu s LYS 172 N -0.64 4.33 0.13 1.61 -0.14 -0.86 -4.88 119.74 119.29 1bnu s LYS 172 Ca 0.00 1.22 0.01 0.00 -1.36 0.00 0.00 55.97 55.84 1bnu s LYS 172 Cb 0.00 -2.40 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1bnu s LYS 172 CO 0.00 0.06 -0.01 -1.54 -0.76 0.00 0.00 175.35 173.10 1bnu s SER 173 N -1.95 0.94 0.00 2.83 1.04 -1.26 -1.39 113.70 113.91 1bnu s SER 173 Ca 0.58 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 1bnu s SER 173 Cb -0.13 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1bnu s SER 173 CO 0.18 -0.58 0.13 0.00 0.98 0.00 0.00 173.24 173.95 1bnu s ALA 174 N -3.75 -0.30 0.47 5.32 0.00 -0.32 -4.89 121.76 118.29 1bnu s ALA 174 Ca 0.19 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 1bnu s ALA 174 Cb 0.06 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 1bnu s ALA 174 CO -0.00 -0.20 1.18 -0.51 0.00 0.00 0.00 175.76 176.23 1bnu s ASP 175 N -1.30 6.06 -0.48 0.00 1.01 -1.26 -1.91 116.67 118.79 1bnu s ASP 175 Ca -0.14 2.33 0.06 0.00 0.71 0.00 0.00 52.55 55.52 1bnu s ASP 175 Cb -0.07 -2.60 0.23 0.00 1.01 0.00 0.00 42.92 41.48 1bnu s ASP 175 CO 0.01 -1.00 0.80 0.33 0.21 0.00 0.00 175.17 175.53 1bnu n PHE 176 N -0.60 -3.03 -3.12 4.23 7.35 -0.44 -4.75 117.46 117.10 1bnu n PHE 176 Ca 0.08 -1.93 -0.24 0.00 -0.76 0.00 0.00 57.45 54.59 1bnu n PHE 176 Cb 0.48 1.30 -0.00 0.00 0.35 0.00 0.00 39.48 41.60 1bnu n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bnu s THR 177 N 0.50 4.77 -1.66 -2.13 -4.23 -1.25 -3.23 115.64 108.41 1bnu s THR 177 Ca 0.32 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1bnu s THR 177 Cb 0.18 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1bnu s THR 177 CO -0.20 -0.56 0.00 0.59 -0.54 0.00 0.00 174.62 173.91 1bnu n ASN 178 N -1.97 -5.03 -4.75 3.99 4.13 -1.25 -4.94 115.26 105.45 1bnu n ASN 178 Ca -0.02 0.25 -0.40 0.00 1.68 0.00 0.00 54.58 56.08 1bnu n ASN 178 Cb 0.56 -4.06 -0.05 0.00 -1.54 0.00 0.00 39.78 34.69 1bnu n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1bnu s PHE 179 N -2.72 3.81 -0.31 3.10 5.36 -1.26 -4.98 117.98 120.98 1bnu s PHE 179 Ca 0.00 1.62 -0.09 0.00 -0.96 0.00 0.00 56.93 57.50 1bnu s PHE 179 Cb 0.00 -2.88 -0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1bnu s PHE 179 CO 0.00 0.32 0.14 0.34 -1.46 0.00 0.00 175.22 174.55 1bnu s ASP 180 N -0.34 5.45 0.45 6.13 2.15 -1.26 -4.39 116.67 124.87 1bnu s ASP 180 Ca 0.40 -0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.11 1bnu s ASP 180 Cb -0.22 -1.97 1.15 0.00 -0.30 0.00 0.00 42.92 41.57 1bnu s ASP 180 CO 0.26 -0.20 1.87 1.55 -0.17 0.00 0.00 175.17 178.49 1bnu h PRO 181 N 8.33 0.00 -0.02 4.34 0.13 -1.96 -2.98 132.00 139.84 1bnu h PRO 181 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1bnu h PRO 181 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1bnu h PRO 181 CO 0.61 0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.44 1bnu h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.93 -0.62 114.38 115.77 1bnu h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bnu h ARG 182 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1bnu h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1bnu n GLY 183 N -1.17 -1.03 0.63 0.04 0.00 -1.13 -2.65 105.19 99.89 1bnu n GLY 183 Ca -0.02 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1bnu n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bnu n LEU 184 N -1.05 2.30 -4.83 0.99 4.77 -0.24 -4.11 117.00 114.83 1bnu n LEU 184 Ca 0.22 -0.86 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 1bnu n LEU 184 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1bnu n LEU 184 CO 0.19 0.41 0.47 -0.76 -1.33 0.00 0.00 177.39 176.37 1bnu s LEU 185 N -2.16 4.15 1.07 2.23 1.43 -1.08 -4.92 118.68 119.40 1bnu s LEU 185 Ca 0.21 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 1bnu s LEU 185 Cb 0.17 -3.99 0.23 0.00 0.03 0.00 0.00 46.19 42.63 1bnu s LEU 185 CO 0.43 -0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 1bnu s PRO 186 N -2.63 -0.17 0.09 1.29 0.04 -1.26 -4.99 135.00 127.38 1bnu s PRO 186 Ca 0.52 0.38 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 1bnu s PRO 186 Cb -0.13 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1bnu s PRO 186 CO 0.18 -3.10 1.46 1.49 0.04 0.00 0.00 177.00 177.08 1bnu h GLU 187 N -2.16 0.61 -5.92 4.56 4.81 -1.92 -3.44 114.58 111.13 1bnu h GLU 187 Ca -0.53 -0.26 -0.62 0.00 -0.13 0.00 0.00 59.36 57.81 1bnu h GLU 187 Cb 1.33 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1bnu h GLU 187 CO 0.52 0.84 -0.46 0.45 -0.73 0.00 0.00 179.01 179.62 1bnu s SER 188 N -6.29 6.39 -0.19 1.04 0.15 -1.26 -5.01 113.70 108.53 1bnu s SER 188 Ca -0.13 0.35 0.16 0.00 0.70 0.00 0.00 55.95 57.03 1bnu s SER 188 Cb 0.08 -2.00 0.56 0.00 -1.71 0.00 0.00 66.02 62.96 1bnu s SER 188 CO 0.79 0.18 1.46 0.18 1.20 0.00 0.00 173.24 177.05 1bnu n LEU 189 N 0.46 4.08 -4.77 3.45 4.77 -1.26 -4.72 117.00 119.01 1bnu n LEU 189 Ca -0.06 -3.03 -0.40 0.00 -0.03 0.00 0.00 56.01 52.49 1bnu n LEU 189 Cb 0.52 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1bnu n LEU 189 CO 0.49 0.68 1.03 -1.81 -1.33 0.00 0.00 177.39 176.45 1bnu s ASP 190 N -1.83 6.21 0.18 -1.43 1.01 -1.26 -4.74 116.67 114.81 1bnu s ASP 190 Ca 0.44 2.82 -0.11 0.00 0.71 0.00 0.00 52.55 56.41 1bnu s ASP 190 Cb 0.35 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 1bnu s ASP 190 CO 0.09 -0.94 0.35 -0.72 0.21 0.00 0.00 175.17 174.17 1bnu s TYR 191 N -1.20 0.31 0.08 4.23 1.13 -1.26 -0.50 117.35 120.13 1bnu s TYR 191 Ca 0.57 -0.67 0.05 0.00 -1.41 0.00 0.00 57.07 55.62 1bnu s TYR 191 Cb -0.42 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.46 1bnu s TYR 191 CO 0.55 -0.79 -0.06 -1.58 -2.51 0.00 0.00 175.55 171.15 1bnu s TRP 192 N -3.96 2.85 0.01 -3.49 0.51 -0.40 -0.75 118.94 113.71 1bnu s TRP 192 Ca 0.17 -0.09 0.00 0.00 -2.12 0.00 0.00 56.10 54.06 1bnu s TRP 192 Cb 0.02 -1.51 -0.01 0.00 -0.81 0.00 0.00 33.47 31.16 1bnu s TRP 192 CO 0.01 0.43 -0.03 -0.08 -0.51 0.00 0.00 176.95 176.77 1bnu s THR 193 N -1.20 0.16 0.03 2.01 -1.32 -0.54 -1.27 115.64 113.51 1bnu s THR 193 Ca 0.22 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.83 1bnu s THR 193 Cb -0.11 -0.24 0.08 0.00 -1.51 0.00 0.00 72.50 70.71 1bnu s THR 193 CO 0.14 -0.28 0.69 -0.72 -2.21 0.00 0.00 174.62 172.24 1bnu s TYR 194 N -0.88 -0.57 0.24 9.09 1.13 -1.11 -1.81 117.35 123.44 1bnu s TYR 194 Ca -0.09 0.72 -0.30 0.00 -1.41 0.00 0.00 57.07 55.99 1bnu s TYR 194 Cb -0.06 0.48 -0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1bnu s TYR 194 CO -0.00 -0.68 1.14 -1.25 -2.51 0.00 0.00 175.55 172.25 1bnu s PRO 195 N -2.31 4.57 0.00 -3.49 0.04 -1.26 -1.77 135.00 130.78 1bnu s PRO 195 Ca -0.05 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1bnu s PRO 195 Cb -0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1bnu s PRO 195 CO -0.01 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1bnu n GLY 196 N 1.62 3.74 3.32 0.56 0.00 0.14 -4.83 105.19 109.74 1bnu n GLY 196 Ca 0.01 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1bnu n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnu s SER 197 N 1.76 1.66 0.54 1.61 1.04 -1.06 -2.52 113.70 116.72 1bnu s SER 197 Ca 0.00 -1.68 -0.21 0.00 0.48 0.00 0.00 55.95 54.54 1bnu s SER 197 Cb 0.00 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1bnu s SER 197 CO 0.00 -1.00 1.21 -0.76 0.98 0.00 0.00 173.24 173.67 1bnu s LEU 198 N -3.39 3.81 0.00 2.42 1.43 -0.63 -4.51 118.68 117.82 1bnu s LEU 198 Ca 0.37 2.39 0.24 0.00 -1.03 0.00 0.00 54.13 56.10 1bnu s LEU 198 Cb 0.03 -4.44 0.36 0.00 0.03 0.00 0.00 46.19 42.17 1bnu s LEU 198 CO 0.23 -1.32 1.36 0.35 0.23 0.00 0.00 176.35 177.19 1bnu n THR 199 N -1.12 0.18 -4.41 5.49 -2.24 -1.26 -4.48 114.28 106.43 1bnu n THR 199 Ca 0.11 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 1bnu n THR 199 Cb 0.49 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 1bnu n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bnu s THR 200 N -1.82 2.14 0.29 4.28 -4.23 -1.26 -4.72 115.64 110.32 1bnu s THR 200 Ca 0.33 -2.27 -0.26 0.00 -1.18 0.00 0.00 61.69 58.31 1bnu s THR 200 Cb 0.21 -2.15 -0.15 0.00 1.34 0.00 0.00 72.50 71.74 1bnu s THR 200 CO 0.31 -0.44 0.58 -2.65 -0.54 0.00 0.00 174.62 171.88 1bnu n PRO 201 N -0.39 0.42 -0.00 3.99 -0.02 -1.26 -0.83 135.00 136.91 1bnu n PRO 201 Ca -0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1bnu n PRO 201 Cb 0.60 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1bnu n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bnu n PRO 202 N 0.90 1.00 -2.34 0.52 -0.04 -1.26 -4.99 135.00 128.79 1bnu n PRO 202 Ca 0.14 -0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 1bnu n PRO 202 Cb 0.31 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 1bnu n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bnu n LEU 203 N -0.39 -1.43 -4.76 1.53 4.77 -0.01 -4.92 117.00 111.80 1bnu n LEU 203 Ca 0.00 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 1bnu n LEU 203 Cb 0.06 -2.44 0.03 0.00 -2.33 0.00 0.00 43.42 38.74 1bnu n LEU 203 CO 0.00 -0.22 1.02 -0.76 -1.33 0.00 0.00 177.39 176.10 1bnu s LEU 204 N -5.62 3.98 -1.04 2.23 1.43 -1.26 -4.45 118.68 113.94 1bnu s LEU 204 Ca 0.00 2.83 -0.04 0.00 -1.03 0.00 0.00 54.13 55.89 1bnu s LEU 204 Cb 0.00 -4.11 0.30 0.00 0.03 0.00 0.00 46.19 42.41 1bnu s LEU 204 CO 0.00 -1.37 1.39 -0.62 0.23 0.00 0.00 176.35 175.97 1bnu n GLU 205 N -0.62 4.23 -0.01 1.70 1.02 -1.26 -1.61 120.64 124.08 1bnu n GLU 205 Ca 0.08 -4.56 0.04 0.00 -0.02 0.00 0.00 57.16 52.69 1bnu n GLU 205 Cb 0.44 -2.49 0.04 0.00 -0.02 0.00 0.00 31.44 29.40 1bnu n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bnu s VAL 207 N -0.64 3.90 -0.27 0.00 1.01 -1.05 -0.86 120.40 122.50 1bnu s VAL 207 Ca 0.09 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1bnu s VAL 207 Cb 0.06 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1bnu s VAL 207 CO 0.09 0.50 0.48 -0.89 0.00 0.00 0.00 175.10 175.29 1bnu s THR 208 N 0.29 5.09 -0.07 3.92 2.01 0.05 -0.68 115.64 126.24 1bnu s THR 208 Ca -0.03 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 1bnu s THR 208 Cb -0.14 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1bnu s THR 208 CO 0.03 0.09 0.45 0.26 -0.69 0.00 0.00 174.62 174.76 1bnu s TRP 209 N 2.26 3.61 -0.20 4.92 0.52 -0.73 -2.09 118.94 127.23 1bnu s TRP 209 Ca 0.20 0.94 0.01 0.00 0.02 0.00 0.00 56.10 57.26 1bnu s TRP 209 Cb -0.16 -2.44 0.05 0.00 -1.15 0.00 0.00 33.47 29.77 1bnu s TRP 209 CO 0.09 0.37 -0.09 0.42 0.02 0.00 0.00 176.95 177.76 1bnu s ILE 210 N -0.11 1.60 -0.18 2.03 1.01 -0.51 -2.74 121.20 122.30 1bnu s ILE 210 Ca 0.25 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1bnu s ILE 210 Cb -0.16 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1bnu s ILE 210 CO 0.12 0.12 -0.16 -0.69 0.00 0.00 0.00 174.94 174.33 1bnu s VAL 211 N 1.40 2.43 0.32 2.92 1.01 -0.40 -0.59 120.40 127.49 1bnu s VAL 211 Ca -0.02 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1bnu s VAL 211 Cb -0.17 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1bnu s VAL 211 CO -0.08 0.51 1.01 -0.76 0.00 0.00 0.00 175.10 175.78 1bnu s LEU 212 N 1.25 4.39 0.13 3.92 1.43 -0.84 -1.28 118.68 127.69 1bnu s LEU 212 Ca 0.03 2.01 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 1bnu s LEU 212 Cb -0.14 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 1bnu s LEU 212 CO -0.09 -0.16 1.65 0.50 0.23 0.00 0.00 176.35 178.48 1bnu h LYS 213 N 3.33 0.60 -5.58 1.70 3.64 -1.13 -3.43 116.57 115.68 1bnu h LYS 213 Ca -0.47 -0.13 -0.61 0.00 -1.27 0.00 0.00 60.65 58.18 1bnu h LYS 213 Cb 1.20 -0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.83 1bnu h LYS 213 CO 0.65 0.61 0.24 -2.00 -2.27 0.00 0.00 179.45 176.68 1bnu s GLU 214 N -5.40 4.13 0.64 1.90 2.12 -1.26 -5.01 118.70 115.82 1bnu s GLU 214 Ca -0.13 0.65 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 1bnu s GLU 214 Cb 0.10 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1bnu s GLU 214 CO 0.76 -0.44 1.04 -1.25 -0.54 0.00 0.00 175.26 174.83 1bnu s PRO 215 N 2.58 3.42 0.12 4.30 0.04 -1.26 -4.67 135.00 139.53 1bnu s PRO 215 Ca 0.28 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.09 1bnu s PRO 215 Cb -0.15 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1bnu s PRO 215 CO 0.08 -0.70 0.25 0.96 0.04 0.00 0.00 177.00 177.63 1bnu s ILE 216 N -3.18 5.30 0.05 0.56 -4.36 -0.68 -4.85 121.20 114.03 1bnu s ILE 216 Ca 0.56 -0.61 0.03 0.00 -0.26 0.00 0.00 60.65 60.36 1bnu s ILE 216 Cb -0.11 -3.68 -0.04 0.00 1.25 0.00 0.00 42.46 39.87 1bnu s ILE 216 CO 0.54 -0.02 0.03 -0.94 0.24 0.00 0.00 174.94 174.79 1bnu s SER 217 N -3.00 5.24 0.28 4.36 1.04 -1.26 -1.17 113.70 119.19 1bnu s SER 217 Ca 0.34 -0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.79 1bnu s SER 217 Cb -0.12 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.60 1bnu s SER 217 CO 0.28 0.22 -0.07 0.68 0.98 0.00 0.00 173.24 175.33 1bnu s VAL 218 N -1.24 1.71 0.74 5.02 -7.23 0.37 -3.82 120.40 115.94 1bnu s VAL 218 Ca 0.24 -2.14 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1bnu s VAL 218 Cb -0.12 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1bnu s VAL 218 CO 0.16 -0.31 1.07 -0.94 -0.31 0.00 0.00 175.10 174.77 1bnu s SER 219 N -3.45 4.79 0.38 4.85 1.04 -1.12 -0.28 113.70 119.91 1bnu s SER 219 Ca 0.29 0.64 0.14 0.00 0.48 0.00 0.00 55.95 57.50 1bnu s SER 219 Cb 0.03 -1.26 0.76 0.00 0.10 0.00 0.00 66.02 65.65 1bnu s SER 219 CO 0.12 -1.66 1.83 0.77 0.98 0.00 0.00 173.24 175.28 1bnu h SER 220 N -0.75 0.00 0.30 7.02 4.64 -1.93 -2.36 113.55 120.48 1bnu h SER 220 Ca -0.45 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 1bnu h SER 220 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1bnu h SER 220 CO 0.63 0.36 -0.75 -0.33 -0.87 0.00 0.00 176.83 175.87 1bnu h GLU 221 N 0.00 0.37 0.25 4.77 3.07 -1.95 -0.55 114.58 120.53 1bnu h GLU 221 Ca -0.00 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1bnu h GLU 221 Cb 0.67 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1bnu h GLU 221 CO 0.05 0.96 -0.12 1.96 -1.40 0.00 0.00 179.01 180.46 1bnu h GLN 222 N 0.25 -0.32 0.00 2.33 4.20 -1.86 -2.82 115.11 116.88 1bnu h GLN 222 Ca -0.03 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1bnu h GLN 222 Cb 1.32 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 1bnu h GLN 222 CO 0.13 -0.03 -0.20 -0.39 -0.67 0.00 0.00 178.83 177.67 1bnu h VAL 223 N -0.62 0.76 -0.13 -0.54 -1.51 -1.44 -1.93 116.25 110.84 1bnu h VAL 223 Ca -0.03 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 1bnu h VAL 223 Cb 0.45 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1bnu h VAL 223 CO 0.06 0.19 0.08 0.25 -1.23 0.00 0.00 177.57 176.92 1bnu h LEU 224 N 0.00 0.14 -0.57 4.19 5.85 -1.02 -1.78 115.31 122.12 1bnu h LEU 224 Ca -0.00 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1bnu h LEU 224 Cb 0.47 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1bnu h LEU 224 CO 0.03 0.11 -0.03 0.11 -0.34 0.00 0.00 178.44 178.31 1bnu h LYS 225 N 0.17 1.03 -0.27 1.25 1.79 -1.09 -3.06 116.57 116.38 1bnu h LYS 225 Ca 0.05 -0.34 0.06 0.00 -2.18 0.00 0.00 60.65 58.23 1bnu h LYS 225 Cb -0.02 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.49 1bnu h LYS 225 CO -0.01 1.03 -0.11 0.74 -1.08 0.00 0.00 179.45 180.02 1bnu h PHE 226 N 0.91 -0.25 0.00 -1.35 -1.00 -1.38 -1.38 116.94 112.49 1bnu h PHE 226 Ca 0.16 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1bnu h PHE 226 Cb 0.59 0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1bnu h PHE 226 CO 0.04 -0.17 0.03 0.54 -1.61 0.00 0.00 178.31 177.14 1bnu n ARG 227 N -5.28 0.00 0.00 1.51 1.74 -1.15 -1.73 116.66 111.75 1bnu n ARG 227 Ca -0.00 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1bnu n ARG 227 Cb 0.19 -1.53 0.18 0.00 -1.02 0.00 0.00 32.46 30.29 1bnu n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnu n LYS 228 N -1.38 0.43 -0.68 5.56 5.02 -0.52 -4.48 118.16 122.12 1bnu n LYS 228 Ca 0.00 -0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 55.70 1bnu n LYS 228 Cb 0.03 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.74 1bnu n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnu s LEU 229 N -2.77 2.09 0.03 -0.35 2.01 -0.71 -4.84 118.68 114.15 1bnu s LEU 229 Ca 0.16 1.91 0.08 0.00 0.01 0.00 0.00 54.13 56.28 1bnu s LEU 229 Cb 0.18 -4.13 -0.02 0.00 0.01 0.00 0.00 46.19 42.23 1bnu s LEU 229 CO 0.66 -3.46 -0.22 0.20 1.01 0.00 0.00 176.35 174.54 1bnu s ASN 230 N -2.67 2.67 0.03 2.29 0.02 0.15 -0.85 114.94 116.58 1bnu s ASN 230 Ca 0.67 -0.50 -0.18 0.00 -1.02 0.00 0.00 52.86 51.83 1bnu s ASN 230 Cb -0.23 -0.25 -0.23 0.00 0.02 0.00 0.00 41.25 40.56 1bnu s ASN 230 CO 0.60 0.22 1.14 -0.26 0.02 0.00 0.00 177.10 178.82 1bnu h PHE 231 N 5.07 0.74 -3.97 2.20 0.04 -1.36 -3.33 116.94 116.33 1bnu h PHE 231 Ca -0.43 -0.39 -0.47 0.00 2.80 0.00 0.00 57.97 59.48 1bnu h PHE 231 Cb 1.15 -0.09 0.15 0.00 2.20 0.00 0.00 35.95 39.36 1bnu h PHE 231 CO 0.46 1.21 0.22 0.54 -0.60 0.00 0.00 178.31 180.15 1bnu s ASN 232 N -6.89 3.03 0.63 2.17 4.22 -1.26 -4.40 114.94 112.44 1bnu s ASN 232 Ca -0.12 1.37 -0.01 0.00 -2.14 0.00 0.00 52.86 51.95 1bnu s ASN 232 Cb 0.05 -2.04 0.06 0.00 1.28 0.00 0.00 41.25 40.60 1bnu s ASN 232 CO 0.85 -2.90 0.89 -0.83 -2.04 0.00 0.00 177.10 173.06 1bnu s GLY 233 N -3.40 1.78 0.38 0.45 0.00 -1.26 -1.10 107.32 104.16 1bnu s GLY 233 Ca 0.64 -1.29 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1bnu s GLY 233 CO 0.57 -0.92 1.49 1.85 0.00 0.00 0.00 173.10 176.10 1bnu s GLU 234 N -4.97 4.10 0.00 2.90 2.12 -1.26 -1.82 118.70 119.76 1bnu s GLU 234 Ca 0.60 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.51 1bnu s GLU 234 Cb -0.09 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1bnu s GLU 234 CO 0.41 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1bnu n GLY 235 N 0.45 2.99 3.91 -1.50 0.00 -1.26 -5.01 105.19 104.76 1bnu n GLY 235 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1bnu n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bnu s GLU 236 N -0.02 2.88 0.51 1.61 2.02 -0.76 -5.02 118.70 119.92 1bnu s GLU 236 Ca 0.00 0.13 -0.22 0.00 0.02 0.00 0.00 54.97 54.90 1bnu s GLU 236 Cb 0.00 -2.19 -0.07 0.00 0.10 0.00 0.00 34.13 31.97 1bnu s GLU 236 CO 0.00 -0.82 1.16 -2.30 0.02 0.00 0.00 175.26 173.32 1bnu n PRO 237 N -2.72 1.45 -2.68 0.39 -0.02 -1.26 -4.87 135.00 125.30 1bnu n PRO 237 Ca 0.05 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1bnu n PRO 237 Cb 0.58 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1bnu n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1bnu s GLU 238 N -2.52 4.27 -0.19 -0.52 2.12 -1.26 -4.70 118.70 115.89 1bnu s GLU 238 Ca 0.69 1.34 0.01 0.00 0.36 0.00 0.00 54.97 57.36 1bnu s GLU 238 Cb -0.46 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.31 1bnu s GLU 238 CO 0.52 -0.60 -0.17 -1.21 -0.54 0.00 0.00 175.26 173.26 1bnu s GLU 239 N 3.10 2.97 0.19 4.30 8.01 -1.26 -5.05 118.70 130.96 1bnu s GLU 239 Ca 0.44 -0.85 -0.30 0.00 0.01 0.00 0.00 54.97 54.26 1bnu s GLU 239 Cb -0.15 -2.65 -0.09 0.00 -4.31 0.00 0.00 34.13 26.93 1bnu s GLU 239 CO 0.07 -0.24 1.32 -0.51 0.01 0.00 0.00 175.26 175.91 1bnu s LEU 240 N 1.30 4.41 -0.82 1.80 1.43 -1.26 -1.05 118.68 124.49 1bnu s LEU 240 Ca 0.04 2.40 -0.25 0.00 -1.03 0.00 0.00 54.13 55.29 1bnu s LEU 240 Cb -0.14 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1bnu s LEU 240 CO -0.11 -0.54 1.55 -0.32 0.23 0.00 0.00 176.35 177.16 1bnu s MET 241 N -0.04 3.09 0.05 1.70 -2.45 -0.03 -4.72 119.30 116.90 1bnu s MET 241 Ca 0.57 -0.32 -0.04 0.00 -1.25 0.00 0.00 55.69 54.65 1bnu s MET 241 Cb -0.37 -4.70 -0.02 0.00 1.25 0.00 0.00 34.83 31.00 1bnu s MET 241 CO 0.38 -2.48 0.05 0.14 1.05 0.00 0.00 175.02 174.16 1bnu s VAL 242 N 6.90 0.17 -1.40 10.11 -7.23 -1.26 -4.41 120.40 123.28 1bnu s VAL 242 Ca 0.50 -1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 59.21 1bnu s VAL 242 Cb -0.06 -1.17 0.04 0.00 0.56 0.00 0.00 36.38 35.74 1bnu s VAL 242 CO 0.07 -0.76 0.99 0.47 -0.31 0.00 0.00 175.10 175.55 1bnu n ASP 243 N 0.42 -4.16 -2.79 4.85 8.00 -0.33 -4.88 116.55 117.67 1bnu n ASP 243 Ca -0.17 -0.70 -0.31 0.00 0.71 0.00 0.00 54.79 54.32 1bnu n ASP 243 Cb 0.60 -4.40 -0.04 0.00 -0.02 0.00 0.00 41.12 37.26 1bnu n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnu n ASN 244 N -2.97 6.93 -4.25 -2.24 6.94 -1.17 -4.89 115.26 113.61 1bnu n ASN 244 Ca -0.08 -3.24 -0.19 0.00 -0.02 0.00 0.00 54.58 51.05 1bnu n ASN 244 Cb 0.58 -1.25 -0.11 0.00 -2.36 0.00 0.00 39.78 36.64 1bnu n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bnu s TRP 245 N -1.77 1.49 -0.10 -2.53 1.48 -1.26 -4.72 118.94 111.52 1bnu s TRP 245 Ca 0.57 -0.51 -0.06 0.00 -1.06 0.00 0.00 56.10 55.04 1bnu s TRP 245 Cb 0.33 -0.78 -0.04 0.00 -1.16 0.00 0.00 33.47 31.82 1bnu s TRP 245 CO -0.20 0.17 0.13 0.50 -4.06 0.00 0.00 176.95 173.49 1bnu s ARG 246 N -2.49 3.40 0.76 3.25 3.52 -1.26 -4.96 118.95 121.17 1bnu s ARG 246 Ca 0.08 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.39 1bnu s ARG 246 Cb -0.06 -3.14 0.05 0.00 -1.56 0.00 0.00 34.95 30.24 1bnu s ARG 246 CO 0.04 0.76 1.10 -2.14 -0.81 0.00 0.00 175.30 174.24 1bnu s PRO 247 N -1.16 2.30 0.36 5.12 0.02 -1.26 -4.71 135.00 135.67 1bnu s PRO 247 Ca 0.17 1.22 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 1bnu s PRO 247 Cb -0.12 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 1bnu s PRO 247 CO 0.06 -1.62 1.42 0.00 -0.33 0.00 0.00 177.00 176.54 1bnu n ALA 248 N -3.37 2.00 -2.92 -1.55 0.00 -1.26 -4.37 120.51 109.03 1bnu n ALA 248 Ca 0.09 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 1bnu n ALA 248 Cb 0.53 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 1bnu n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bnu s GLN 249 N -1.95 3.31 0.29 0.00 -1.52 0.13 -4.94 119.66 114.98 1bnu s GLN 249 Ca 0.54 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.89 1bnu s GLN 249 Cb -0.51 -2.84 -0.11 0.00 -0.22 0.00 0.00 33.01 29.33 1bnu s GLN 249 CO 0.63 0.46 1.53 -1.25 -0.25 0.00 0.00 175.29 176.41 1bnu s PRO 250 N -3.65 4.17 0.51 2.91 0.04 -1.26 -4.51 135.00 133.20 1bnu s PRO 250 Ca 0.34 2.49 0.29 0.00 0.04 0.00 0.00 61.00 64.16 1bnu s PRO 250 Cb -0.10 -3.04 1.19 0.00 0.04 0.00 0.00 34.50 32.59 1bnu s PRO 250 CO 0.28 -0.55 1.92 1.25 0.04 0.00 0.00 177.00 179.94 1bnu h LEU 251 N 4.68 0.00 -1.11 -3.56 5.85 -1.95 -3.44 115.31 115.78 1bnu h LEU 251 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1bnu h LEU 251 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1bnu h LEU 251 CO 0.77 0.10 0.00 2.29 -0.34 0.00 0.00 178.44 181.26 1bnu n LYS 252 N -3.24 0.00 -3.09 1.25 2.85 -1.26 -2.57 118.16 112.10 1bnu n LYS 252 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1bnu n LYS 252 Cb 0.35 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.80 1bnu n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1bnu n ASN 253 N 0.63 -2.80 -4.34 -5.58 5.15 -1.26 -4.99 115.26 102.07 1bnu n ASN 253 Ca 0.00 -0.51 -0.22 0.00 -0.60 0.00 0.00 54.58 53.25 1bnu n ASN 253 Cb 0.00 -4.21 -0.11 0.00 -0.53 0.00 0.00 39.78 34.93 1bnu n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bnu s ARG 254 N -4.88 1.29 -0.03 1.20 0.52 -1.06 -5.15 118.95 110.84 1bnu s ARG 254 Ca 0.08 -1.41 0.07 0.00 -0.52 0.00 0.00 55.73 53.95 1bnu s ARG 254 Cb -0.01 -1.36 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 1bnu s ARG 254 CO 0.58 0.28 -0.24 -1.14 0.02 0.00 0.00 175.30 174.80 1bnu s GLN 255 N -2.78 2.19 -0.36 3.54 0.74 -1.26 -5.05 119.66 116.68 1bnu s GLN 255 Ca 0.16 -0.89 -0.22 0.00 0.05 0.00 0.00 55.36 54.46 1bnu s GLN 255 Cb -0.06 -2.10 0.01 0.00 1.10 0.00 0.00 33.01 31.95 1bnu s GLN 255 CO 0.07 0.57 0.71 0.42 -0.55 0.00 0.00 175.29 176.51 1bnu s ILE 256 N -0.62 4.81 0.41 -2.34 1.01 -1.26 -4.72 121.20 118.49 1bnu s ILE 256 Ca 0.10 0.75 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 1bnu s ILE 256 Cb -0.10 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1bnu s ILE 256 CO -0.01 -0.37 0.81 -0.54 0.00 0.00 0.00 174.94 174.83 1bnu s LYS 257 N 2.90 3.87 0.06 2.79 -0.14 -0.75 -0.63 119.74 127.84 1bnu s LYS 257 Ca 0.28 0.62 0.09 0.00 -1.36 0.00 0.00 55.97 55.61 1bnu s LYS 257 Cb -0.14 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 1bnu s LYS 257 CO 0.16 -0.04 -0.26 0.00 -0.76 0.00 0.00 175.35 174.44 1bnu s ALA 258 N -2.33 2.29 -2.48 5.17 0.00 0.11 -1.47 121.76 123.04 1bnu s ALA 258 Ca 0.54 -1.30 0.27 0.00 0.00 0.00 0.00 51.96 51.47 1bnu s ALA 258 Cb -0.10 -0.47 1.03 0.00 0.00 0.00 0.00 23.12 23.58 1bnu s ALA 258 CO 0.28 0.54 1.73 -1.13 0.00 0.00 0.00 175.76 177.18 1bnu n SER 259 N 1.63 1.51 0.00 0.00 3.41 0.07 -1.18 113.62 119.06 1bnu n SER 259 Ca -0.17 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1bnu n SER 259 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1bnu n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10