#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnn s TRP 5 N 0.00 2.51 0.00 0.00 1.48 -1.26 -4.83 118.94 116.84 1bnn s TRP 5 Ca 0.00 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 56.61 1bnn s TRP 5 Cb 0.00 -3.19 0.00 0.00 -1.16 0.00 0.00 33.47 29.12 1bnn s TRP 5 CO 0.00 -1.85 0.00 0.41 -4.06 0.00 0.00 176.95 171.45 1bnn n GLY 6 N -0.50 2.20 0.02 3.67 0.00 0.02 -5.02 105.19 105.58 1bnn n GLY 6 Ca 0.11 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1bnn n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bnn n TYR 7 N 0.00 0.00 -2.07 1.61 4.02 -1.26 -3.67 117.16 115.79 1bnn n TYR 7 Ca 0.00 -0.55 -0.28 0.00 -0.01 0.00 0.00 57.90 57.06 1bnn n TYR 7 Cb 0.00 -0.06 0.11 0.00 -0.02 0.00 0.00 39.34 39.36 1bnn n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1bnn s GLY 8 N -1.26 1.69 0.24 2.72 0.00 -1.26 -4.63 107.32 104.82 1bnn s GLY 8 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1bnn s GLY 8 CO 0.00 -0.43 1.84 1.70 0.00 0.00 0.00 173.10 176.21 1bnn h LYS 9 N -1.01 0.89 0.00 2.90 3.64 -1.97 0.72 116.57 121.75 1bnn h LYS 9 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1bnn h LYS 9 Cb 1.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1bnn h LYS 9 CO 0.55 0.59 -0.38 0.45 -2.27 0.00 0.00 179.45 178.39 1bnn h HIS 10 N 0.92 0.00 0.00 1.91 3.86 -1.99 -3.37 115.15 116.48 1bnn h HIS 10 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1bnn h HIS 10 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1bnn h HIS 10 CO -0.04 0.00 -0.35 0.27 0.86 0.00 0.00 177.93 178.67 1bnn n ASN 11 N -2.53 0.43 -3.16 2.45 6.94 -1.09 -4.95 115.26 113.35 1bnn n ASN 11 Ca 0.03 -2.05 -0.18 0.00 -0.02 0.00 0.00 54.58 52.36 1bnn n ASN 11 Cb 0.48 -0.21 0.14 0.00 -2.36 0.00 0.00 39.78 37.84 1bnn n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bnn n GLY 12 N -0.24 -2.07 0.32 4.83 0.00 0.25 -0.80 105.19 107.47 1bnn n GLY 12 Ca 0.03 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.63 1bnn n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bnn h PRO 13 N 0.00 0.15 0.00 1.61 0.11 -1.84 0.20 132.00 132.23 1bnn h PRO 13 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bnn h PRO 13 Cb 0.76 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1bnn h PRO 13 CO 0.18 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.22 1bnn n GLU 14 N -5.27 0.26 -0.00 1.05 0.00 -1.26 -1.77 120.64 113.64 1bnn n GLU 14 Ca 0.24 0.06 0.04 0.00 0.00 0.00 0.00 57.16 57.50 1bnn n GLU 14 Cb 0.77 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.64 1bnn n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bnn n HIS 15 N -1.10 0.00 -0.32 -1.84 8.25 0.71 -4.75 115.22 116.17 1bnn n HIS 15 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 1bnn n HIS 15 Cb 0.05 -0.15 0.26 0.00 1.12 0.00 0.00 29.99 31.27 1bnn n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bnn h TRP 16 N 0.00 0.89 -0.88 4.41 6.55 -1.27 -2.47 115.95 123.19 1bnn h TRP 16 Ca 0.00 0.03 0.19 0.00 0.95 0.00 0.00 58.89 60.07 1bnn h TRP 16 Cb 0.35 -0.26 -0.06 0.00 -0.86 0.00 0.00 29.16 28.32 1bnn h TRP 16 CO 0.00 0.21 0.58 1.12 -1.05 0.00 0.00 178.44 179.30 1bnn h HIS 17 N 0.69 0.55 -0.91 0.49 2.07 -1.77 0.41 115.15 116.68 1bnn h HIS 17 Ca 0.51 0.02 0.05 0.00 -2.85 0.00 0.00 60.37 58.09 1bnn h HIS 17 Cb 0.74 -0.17 -0.06 0.00 2.57 0.00 0.00 27.41 30.49 1bnn h HIS 17 CO -0.06 0.16 0.59 0.87 -3.07 0.00 0.00 177.93 176.43 1bnn h LYS 18 N 0.43 1.06 0.00 5.12 1.57 -1.80 -2.47 116.57 120.47 1bnn h LYS 18 Ca 0.45 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.99 1bnn h LYS 18 Cb 1.09 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1bnn h LYS 18 CO -0.17 0.70 -2.09 -0.25 -0.57 0.00 0.00 179.45 177.08 1bnn n ASP 19 N -4.46 0.11 -3.60 0.86 8.00 -0.20 -4.73 116.55 112.51 1bnn n ASP 19 Ca 0.13 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 1bnn n ASP 19 Cb 0.15 1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 42.48 1bnn n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bnn s PHE 20 N -3.02 1.69 0.51 1.24 0.08 0.13 -4.99 117.98 113.61 1bnn s PHE 20 Ca -0.08 -2.35 0.30 0.00 0.12 0.00 0.00 56.93 54.93 1bnn s PHE 20 Cb 0.10 -1.54 1.42 0.00 -0.57 0.00 0.00 43.02 42.43 1bnn s PHE 20 CO 0.86 -0.77 1.84 -1.35 -0.10 0.00 0.00 175.22 175.70 1bnn h PRO 21 N 6.35 0.09 0.00 0.24 0.11 -1.68 -0.90 132.00 136.21 1bnn h PRO 21 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1bnn h PRO 21 Cb 0.91 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1bnn h PRO 21 CO 0.44 0.06 0.02 1.51 -0.21 0.00 0.00 178.00 179.82 1bnn n ILE 22 N -4.31 1.70 0.32 4.15 0.13 -1.26 -1.63 119.36 118.46 1bnn n ILE 22 Ca 0.22 0.56 0.20 0.00 -1.10 0.00 0.00 62.75 62.63 1bnn n ILE 22 Cb 1.03 -1.56 1.06 0.00 -0.84 0.00 0.00 39.64 39.34 1bnn n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bnn h ALA 23 N 1.93 1.17 -0.56 1.51 0.00 -1.47 0.20 119.26 122.04 1bnn h ALA 23 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bnn h ALA 23 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bnn h ALA 23 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1bnn n LYS 24 N -3.34 3.49 -0.22 0.00 4.76 -0.64 -4.98 118.16 117.22 1bnn n LYS 24 Ca -0.03 -2.76 -0.22 0.00 -2.87 0.00 0.00 58.31 52.43 1bnn n LYS 24 Cb 0.10 -1.79 0.21 0.00 -1.84 0.00 0.00 35.03 31.72 1bnn n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bnn n GLY 25 N 0.84 -3.79 0.09 0.72 0.00 0.69 -4.99 105.19 98.74 1bnn n GLY 25 Ca 0.23 -1.30 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 1bnn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bnn h GLU 26 N 0.00 0.00 -2.15 1.61 4.39 -1.96 -3.39 114.58 113.08 1bnn h GLU 26 Ca -0.29 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.84 1bnn h GLU 26 Cb 0.97 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.21 1bnn h GLU 26 CO 0.18 0.62 -0.81 2.89 -1.16 0.00 0.00 179.01 180.74 1bnn n ARG 27 N -3.15 2.13 -3.62 2.33 1.85 -1.26 -4.69 116.66 110.25 1bnn n ARG 27 Ca -0.07 -4.24 -0.32 0.00 -1.00 0.00 0.00 57.85 52.23 1bnn n ARG 27 Cb 0.92 -1.96 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 1bnn n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bnn s GLN 28 N -2.50 3.67 0.29 2.89 -1.52 -1.26 -2.29 119.66 118.93 1bnn s GLN 28 Ca 0.42 0.00 0.10 0.00 -1.95 0.00 0.00 55.36 53.93 1bnn s GLN 28 Cb 0.22 -2.82 -0.06 0.00 -0.22 0.00 0.00 33.01 30.13 1bnn s GLN 28 CO -0.08 0.45 -0.14 -1.12 -0.25 0.00 0.00 175.29 174.15 1bnn s SER 29 N -2.36 3.42 0.94 5.90 0.01 -1.26 -4.65 113.70 115.70 1bnn s SER 29 Ca 0.41 -1.11 -0.14 0.00 1.31 0.00 0.00 55.95 56.43 1bnn s SER 29 Cb -0.12 -0.28 0.20 0.00 0.21 0.00 0.00 66.02 66.03 1bnn s SER 29 CO 0.23 -0.12 1.29 -2.16 0.41 0.00 0.00 173.24 172.89 1bnn s PRO 30 N -3.59 0.67 0.15 12.44 0.04 -1.26 -4.54 135.00 138.92 1bnn s PRO 30 Ca 0.30 -0.57 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1bnn s PRO 30 Cb -0.01 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1bnn s PRO 30 CO 0.14 -2.35 0.03 0.14 0.04 0.00 0.00 177.00 175.00 1bnn s VAL 31 N -3.81 0.42 -0.03 -0.36 -7.23 -1.26 0.20 120.40 108.34 1bnn s VAL 31 Ca 0.74 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 1bnn s VAL 31 Cb -0.03 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1bnn s VAL 31 CO 0.52 -0.47 0.67 -0.62 -0.31 0.00 0.00 175.10 174.88 1bnn s ASP 32 N -3.12 7.00 -0.53 4.85 2.15 -1.26 -3.12 116.67 122.63 1bnn s ASP 32 Ca 0.24 1.20 -0.19 0.00 0.43 0.00 0.00 52.55 54.22 1bnn s ASP 32 Cb 0.07 -2.40 0.07 0.00 -0.30 0.00 0.00 42.92 40.36 1bnn s ASP 32 CO 0.03 -0.02 0.66 -0.63 -0.17 0.00 0.00 175.17 175.04 1bnn s ILE 33 N 0.36 4.83 -0.70 4.11 1.01 0.84 -4.93 121.20 126.73 1bnn s ILE 33 Ca 0.35 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 1bnn s ILE 33 Cb -0.18 -4.36 0.06 0.00 0.01 0.00 0.00 42.46 37.98 1bnn s ILE 33 CO 0.18 -0.91 1.09 -0.62 0.00 0.00 0.00 174.94 174.68 1bnn s ASP 34 N 2.95 6.19 0.44 3.58 2.15 -1.26 -0.03 116.67 130.69 1bnn s ASP 34 Ca 0.15 -0.84 0.19 0.00 0.43 0.00 0.00 52.55 52.47 1bnn s ASP 34 Cb -0.20 -2.47 1.13 0.00 -0.30 0.00 0.00 42.92 41.08 1bnn s ASP 34 CO 0.11 -1.57 1.91 0.71 -0.17 0.00 0.00 175.17 176.15 1bnn h THR 35 N 6.01 0.73 -0.03 1.71 1.35 -1.95 -2.31 112.91 118.42 1bnn h THR 35 Ca -0.26 -0.12 -0.14 0.00 -0.55 0.00 0.00 66.41 65.34 1bnn h THR 35 Cb 1.06 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 1bnn h THR 35 CO 1.22 0.06 -0.61 0.45 -0.25 0.00 0.00 175.52 176.39 1bnn h HIS 36 N 0.34 0.15 -0.25 4.73 3.86 -2.03 -3.18 115.15 118.77 1bnn h HIS 36 Ca 0.39 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1bnn h HIS 36 Cb 1.03 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1bnn h HIS 36 CO -0.00 0.70 0.00 0.25 0.86 0.00 0.00 177.93 179.74 1bnn n THR 37 N -3.84 0.31 -2.35 2.45 -2.24 -0.91 -4.93 114.28 102.77 1bnn n THR 37 Ca -0.02 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1bnn n THR 37 Cb 0.62 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 1bnn n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bnn s ALA 38 N -1.63 3.45 -0.35 6.98 0.00 -0.96 -4.81 121.76 124.44 1bnn s ALA 38 Ca 0.34 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1bnn s ALA 38 Cb 0.21 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1bnn s ALA 38 CO 0.30 -0.37 0.44 0.21 0.00 0.00 0.00 175.76 176.35 1bnn s LYS 39 N -0.72 3.57 0.16 0.00 2.20 0.12 -4.82 119.74 120.25 1bnn s LYS 39 Ca 0.51 -0.31 -0.32 0.00 -0.36 0.00 0.00 55.97 55.49 1bnn s LYS 39 Cb -0.34 -3.81 -0.10 0.00 -1.51 0.00 0.00 37.83 32.07 1bnn s LYS 39 CO 0.40 -0.60 1.61 -0.47 -0.36 0.00 0.00 175.35 175.93 1bnn s TYR 40 N 2.21 2.96 -0.22 4.03 5.04 -1.26 -0.69 117.35 129.42 1bnn s TYR 40 Ca 0.15 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1bnn s TYR 40 Cb -0.16 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 38.22 1bnn s TYR 40 CO 0.13 -3.65 -0.14 0.34 -1.34 0.00 0.00 175.55 170.88 1bnn s ASP 41 N 1.30 3.77 0.45 4.32 -1.08 0.15 -4.84 116.67 120.73 1bnn s ASP 41 Ca 0.71 -1.03 0.25 0.00 -0.52 0.00 0.00 52.55 51.96 1bnn s ASP 41 Cb -0.45 -1.46 0.92 0.00 -1.46 0.00 0.00 42.92 40.48 1bnn s ASP 41 CO 0.32 -0.11 1.82 1.55 0.52 0.00 0.00 175.17 179.27 1bnn h PRO 42 N 7.87 0.00 -0.03 4.34 0.13 -1.94 -2.90 132.00 139.47 1bnn h PRO 42 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1bnn h PRO 42 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bnn h PRO 42 CO 0.53 0.20 0.00 -1.13 -0.23 0.00 0.00 178.00 177.37 1bnn n SER 43 N -3.35 0.30 -4.67 1.44 3.41 -1.26 -4.79 113.62 104.70 1bnn n SER 43 Ca 0.00 -1.44 -0.43 0.00 -0.26 0.00 0.00 58.87 56.74 1bnn n SER 43 Cb 0.43 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1bnn n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnn s LEU 44 N -1.61 4.16 0.61 1.04 1.02 -1.10 -5.03 118.68 117.77 1bnn s LEU 44 Ca 0.30 1.52 -0.13 0.00 0.02 0.00 0.00 54.13 55.84 1bnn s LEU 44 Cb 0.14 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 1bnn s LEU 44 CO 0.23 -0.65 1.03 -0.54 0.02 0.00 0.00 176.35 176.45 1bnn s LYS 45 N 2.99 3.44 0.71 1.70 3.01 -1.23 -4.97 119.74 125.39 1bnn s LYS 45 Ca 0.48 0.95 -0.12 0.00 -1.01 0.00 0.00 55.97 56.27 1bnn s LYS 45 Cb -0.18 -2.06 0.03 0.00 -1.01 0.00 0.00 37.83 34.61 1bnn s LYS 45 CO 0.11 -0.70 1.09 -2.14 0.51 0.00 0.00 175.35 174.23 1bnn s PRO 46 N -4.64 2.58 0.42 -1.68 0.02 -1.26 -2.56 135.00 127.87 1bnn s PRO 46 Ca 0.59 1.23 -0.22 0.00 0.02 0.00 0.00 61.00 62.62 1bnn s PRO 46 Cb -0.13 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 1bnn s PRO 46 CO 0.45 -1.40 0.99 -0.51 -0.33 0.00 0.00 177.00 176.19 1bnn s LEU 47 N -5.42 4.02 -0.36 -5.54 1.43 -1.26 -1.30 118.68 110.24 1bnn s LEU 47 Ca 0.63 1.83 0.01 0.00 -1.03 0.00 0.00 54.13 55.57 1bnn s LEU 47 Cb -0.18 -4.40 0.11 0.00 0.03 0.00 0.00 46.19 41.75 1bnn s LEU 47 CO 0.49 -0.43 0.14 -0.55 0.23 0.00 0.00 176.35 176.23 1bnn s SER 48 N -1.94 4.09 -0.39 2.29 0.15 0.76 -4.88 113.70 113.78 1bnn s SER 48 Ca 0.61 -2.10 -0.13 0.00 0.70 0.00 0.00 55.95 55.03 1bnn s SER 48 Cb -0.14 -1.11 0.03 0.00 -1.71 0.00 0.00 66.02 63.08 1bnn s SER 48 CO 0.19 -0.36 0.25 0.68 1.20 0.00 0.00 173.24 175.20 1bnn s VAL 49 N 1.01 4.87 -0.78 4.45 -7.23 -1.26 -0.54 120.40 120.93 1bnn s VAL 49 Ca 0.13 -0.79 -0.06 0.00 -1.81 0.00 0.00 61.98 59.45 1bnn s VAL 49 Cb -0.20 -3.73 0.20 0.00 0.56 0.00 0.00 36.38 33.21 1bnn s VAL 49 CO -0.13 -0.28 0.66 -0.44 -0.31 0.00 0.00 175.10 174.60 1bnn s SER 50 N 1.61 5.99 -0.23 4.85 0.01 -0.20 -4.89 113.70 120.85 1bnn s SER 50 Ca 0.03 -3.05 0.14 0.00 1.31 0.00 0.00 55.95 54.39 1bnn s SER 50 Cb -0.19 -2.00 0.60 0.00 0.21 0.00 0.00 66.02 64.64 1bnn s SER 50 CO 0.08 -0.38 1.53 -1.22 0.41 0.00 0.00 173.24 173.66 1bnn n TYR 51 N 3.32 1.36 0.28 2.43 4.01 -1.26 -2.09 117.16 125.20 1bnn n TYR 51 Ca 0.14 -1.01 0.15 0.00 -0.16 0.00 0.00 57.90 57.02 1bnn n TYR 51 Cb 0.40 -0.43 0.49 0.00 -0.31 0.00 0.00 39.34 39.50 1bnn n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bnn h ASP 52 N 2.12 0.00 -0.25 7.72 2.03 -1.90 -3.14 116.42 122.99 1bnn h ASP 52 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1bnn h ASP 52 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 1bnn h ASP 52 CO 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.57 1bnn n GLN 53 N -3.02 2.79 -1.72 4.15 1.13 -1.19 -5.04 117.38 114.47 1bnn n GLN 53 Ca 0.02 -2.38 -0.42 0.00 -1.94 0.00 0.00 57.00 52.27 1bnn n GLN 53 Cb 0.38 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.20 1bnn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnn n ALA 54 N -0.16 2.52 -3.87 -1.58 0.00 -1.13 -4.65 120.51 111.64 1bnn n ALA 54 Ca 0.15 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 1bnn n ALA 54 Cb 0.63 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 1bnn n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnn s THR 55 N 0.62 2.79 0.32 0.00 2.01 -1.26 -4.85 115.64 115.27 1bnn s THR 55 Ca 0.71 -2.03 -0.26 0.00 0.31 0.00 0.00 61.69 60.41 1bnn s THR 55 Cb -0.52 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 1bnn s THR 55 CO 0.40 -0.52 0.96 -0.94 -0.69 0.00 0.00 174.62 173.82 1bnn s SER 56 N 1.35 7.32 -0.04 3.53 1.04 -1.26 -0.40 113.70 125.23 1bnn s SER 56 Ca 0.06 1.87 -0.09 0.00 0.48 0.00 0.00 55.95 58.27 1bnn s SER 56 Cb -0.21 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 1bnn s SER 56 CO -0.05 -0.08 -0.17 0.18 0.98 0.00 0.00 173.24 174.10 1bnn n LEU 57 N 0.60 1.42 -3.88 2.42 4.77 0.30 -3.98 117.00 118.66 1bnn n LEU 57 Ca 0.02 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1bnn n LEU 57 Cb 0.50 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1bnn n LEU 57 CO 0.45 -0.50 0.24 0.00 -1.33 0.00 0.00 177.39 176.25 1bnn s ARG 58 N -2.36 1.49 0.01 3.23 1.70 -1.23 -1.02 118.95 120.77 1bnn s ARG 58 Ca -0.14 -1.06 0.08 0.00 -0.47 0.00 0.00 55.73 54.13 1bnn s ARG 58 Cb 0.02 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1bnn s ARG 58 CO 0.21 -0.63 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.07 1bnn s ILE 59 N -3.94 1.83 -0.01 4.99 2.07 -0.39 -0.93 121.20 124.81 1bnn s ILE 59 Ca 0.15 -1.13 -0.15 0.00 -1.41 0.00 0.00 60.65 58.12 1bnn s ILE 59 Cb -0.01 -1.55 0.02 0.00 0.13 0.00 0.00 42.46 41.05 1bnn s ILE 59 CO 0.04 0.39 0.32 -1.48 -1.91 0.00 0.00 174.94 172.29 1bnn s LEU 60 N -0.88 0.82 -0.28 8.50 2.34 -0.10 -1.22 118.68 127.87 1bnn s LEU 60 Ca 0.09 0.09 -0.14 0.00 0.06 0.00 0.00 54.13 54.23 1bnn s LEU 60 Cb -0.09 1.30 -0.04 0.00 -0.56 0.00 0.00 46.19 46.80 1bnn s LEU 60 CO 0.01 -0.46 0.33 0.21 -1.06 0.00 0.00 176.35 175.38 1bnn s ASN 61 N -1.35 6.20 0.00 1.48 3.84 -0.55 -0.52 114.94 124.03 1bnn s ASN 61 Ca -0.13 0.19 0.19 0.00 0.21 0.00 0.00 52.86 53.32 1bnn s ASN 61 Cb -0.05 -2.19 0.54 0.00 -0.55 0.00 0.00 41.25 39.00 1bnn s ASN 61 CO 0.04 -0.16 1.45 -0.46 -2.79 0.00 0.00 177.10 175.17 1bnn n ASN 62 N 5.28 3.63 0.00 -4.21 0.23 -0.83 -1.02 115.26 118.34 1bnn n ASN 62 Ca -0.10 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1bnn n ASN 62 Cb 0.51 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1bnn n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bnn n GLY 63 N 1.30 1.81 0.04 4.83 0.00 -1.26 -4.77 105.19 107.14 1bnn n GLY 63 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1bnn n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bnn n HIS 64 N -2.00 0.00 -3.89 1.61 8.25 -1.26 -4.70 115.22 113.23 1bnn n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1bnn n HIS 64 Cb 0.00 -0.31 0.02 0.00 1.12 0.00 0.00 29.99 30.81 1bnn n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bnn s ALA 65 N -2.16 -1.77 -0.08 -1.41 0.00 -1.26 -4.85 121.76 110.23 1bnn s ALA 65 Ca -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1bnn s ALA 65 Cb 0.03 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1bnn s ALA 65 CO 0.20 -1.08 0.07 -0.59 0.00 0.00 0.00 175.76 174.36 1bnn s PHE 66 N -2.20 3.35 -0.02 0.00 -0.12 -1.26 -1.96 117.98 115.78 1bnn s PHE 66 Ca 0.23 0.32 0.05 0.00 -0.05 0.00 0.00 56.93 57.47 1bnn s PHE 66 Cb -0.02 -1.83 -0.01 0.00 -0.63 0.00 0.00 43.02 40.53 1bnn s PHE 66 CO 0.04 0.59 -0.15 -0.80 -0.05 0.00 0.00 175.22 174.84 1bnn s ASN 67 N -1.14 1.79 -0.24 1.98 0.02 0.32 -4.10 114.94 113.56 1bnn s ASN 67 Ca 0.16 -0.28 -0.08 0.00 -1.02 0.00 0.00 52.86 51.64 1bnn s ASN 67 Cb -0.12 -0.24 -0.04 0.00 0.02 0.00 0.00 41.25 40.87 1bnn s ASN 67 CO 0.06 0.18 0.09 -0.69 0.02 0.00 0.00 177.10 176.76 1bnn s VAL 68 N -0.29 4.64 0.03 1.60 1.01 -0.57 -0.93 120.40 125.90 1bnn s VAL 68 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1bnn s VAL 68 Cb -0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1bnn s VAL 68 CO -0.00 0.35 0.17 -1.61 0.00 0.00 0.00 175.10 174.00 1bnn s GLU 69 N 1.34 3.32 0.27 2.72 2.02 -0.11 -1.83 118.70 126.44 1bnn s GLU 69 Ca 0.06 -0.44 0.11 0.00 0.02 0.00 0.00 54.97 54.71 1bnn s GLU 69 Cb -0.15 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 1bnn s GLU 69 CO 0.05 0.63 -0.18 -0.06 0.02 0.00 0.00 175.26 175.72 1bnn s PHE 70 N -1.40 2.19 -0.47 1.61 0.40 -0.02 -0.54 117.98 119.76 1bnn s PHE 70 Ca 0.30 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 1bnn s PHE 70 Cb -0.13 -1.00 0.03 0.00 0.51 0.00 0.00 43.02 42.44 1bnn s PHE 70 CO 0.23 0.63 1.13 0.34 0.70 0.00 0.00 175.22 178.24 1bnn s ASP 71 N -3.48 6.64 -0.37 1.36 2.15 0.47 -4.82 116.67 118.61 1bnn s ASP 71 Ca 0.29 0.48 0.06 0.00 0.43 0.00 0.00 52.55 53.81 1bnn s ASP 71 Cb -0.03 -2.55 0.55 0.00 -0.30 0.00 0.00 42.92 40.59 1bnn s ASP 71 CO 0.14 -1.23 1.63 -0.90 -0.17 0.00 0.00 175.17 174.64 1bnn n ASP 72 N 7.78 3.41 0.23 -0.34 5.75 -1.26 -4.55 116.55 127.57 1bnn n ASP 72 Ca 0.12 -3.74 0.12 0.00 -0.01 0.00 0.00 54.79 51.28 1bnn n ASP 72 Cb 0.49 -0.71 0.35 0.00 -1.03 0.00 0.00 41.12 40.22 1bnn n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1bnn h SER 73 N 1.15 0.00 -5.46 -1.12 4.64 -1.94 -3.46 113.55 107.37 1bnn h SER 73 Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1bnn h SER 73 Cb 1.95 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.90 1bnn h SER 73 CO 0.73 0.10 -0.53 -1.10 -0.87 0.00 0.00 176.83 175.16 1bnn s GLN 74 N -3.39 1.15 -1.14 4.77 -0.21 -1.26 -5.06 119.66 114.52 1bnn s GLN 74 Ca 0.04 -1.47 -0.21 0.00 0.02 0.00 0.00 55.36 53.74 1bnn s GLN 74 Cb 0.07 0.30 -0.06 0.00 1.00 0.00 0.00 33.01 34.32 1bnn s GLN 74 CO 0.64 -0.38 1.91 -0.25 -2.12 0.00 0.00 175.29 175.08 1bnn n ASP 75 N -0.22 3.41 -0.08 5.90 8.00 -1.26 -4.54 116.55 127.75 1bnn n ASP 75 Ca -0.02 -2.75 -0.14 0.00 0.71 0.00 0.00 54.79 52.59 1bnn n ASP 75 Cb 0.64 -1.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.00 1bnn n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bnn n LYS 76 N 7.86 0.68 -3.57 -1.24 5.02 -1.26 -4.83 118.16 120.82 1bnn n LYS 76 Ca 0.47 0.13 -0.25 0.00 -2.02 0.00 0.00 58.31 56.64 1bnn n LYS 76 Cb 0.45 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 1bnn n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnn s ALA 77 N -2.53 0.28 0.23 7.82 0.00 -1.26 -2.83 121.76 123.48 1bnn s ALA 77 Ca -0.19 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1bnn s ALA 77 Cb 0.07 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1bnn s ALA 77 CO 0.75 -1.26 -0.12 0.14 0.00 0.00 0.00 175.76 175.27 1bnn s VAL 78 N 2.18 1.69 -0.08 0.00 -7.23 -0.89 -1.08 120.40 114.98 1bnn s VAL 78 Ca 0.04 -2.18 0.03 0.00 -1.81 0.00 0.00 61.98 58.06 1bnn s VAL 78 Cb -0.16 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.61 1bnn s VAL 78 CO -0.14 -0.50 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.74 1bnn s LEU 79 N -3.35 1.89 0.27 1.32 0.20 0.43 -1.03 118.68 118.41 1bnn s LEU 79 Ca 0.25 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.66 1bnn s LEU 79 Cb 0.01 -1.15 -0.03 0.00 -0.43 0.00 0.00 46.19 44.58 1bnn s LEU 79 CO 0.08 0.10 0.21 -0.54 -0.29 0.00 0.00 176.35 175.92 1bnn s LYS 80 N 0.48 1.51 2.71 1.98 1.02 0.30 -1.51 119.74 126.24 1bnn s LYS 80 Ca -0.17 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 53.97 1bnn s LYS 80 Cb -0.17 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1bnn s LYS 80 CO 0.07 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1bnn n GLY 81 N -0.47 -0.70 7.00 -3.33 0.00 -1.26 -0.17 105.19 106.26 1bnn n GLY 81 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1bnn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnn n GLY 82 N 0.00 2.60 0.40 -0.02 0.00 -0.42 -0.77 105.19 106.98 1bnn n GLY 82 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1bnn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bnn n PRO 83 N 14.00 1.52 -3.15 1.61 -0.04 -1.26 -3.47 135.00 144.21 1bnn n PRO 83 Ca 0.00 -0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 62.33 1bnn n PRO 83 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1bnn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bnn s LEU 84 N -1.56 4.22 -0.35 1.53 1.43 0.05 -5.04 118.68 118.96 1bnn s LEU 84 Ca 0.30 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 1bnn s LEU 84 Cb 0.16 -3.77 0.11 0.00 0.03 0.00 0.00 46.19 42.72 1bnn s LEU 84 CO 0.24 -0.06 0.12 -0.62 0.23 0.00 0.00 176.35 176.26 1bnn s ASP 85 N -1.94 4.21 0.00 2.29 -1.08 -1.26 -4.38 116.67 114.51 1bnn s ASP 85 Ca 0.47 -2.06 0.00 0.00 -0.52 0.00 0.00 52.55 50.45 1bnn s ASP 85 Cb -0.14 -1.18 0.00 0.00 -1.46 0.00 0.00 42.92 40.15 1bnn s ASP 85 CO 0.19 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.13 1bnn n GLY 86 N 4.33 3.22 3.75 2.66 0.00 -1.26 -5.06 105.19 112.83 1bnn n GLY 86 Ca 0.02 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1bnn n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnn s THR 87 N -2.14 5.29 -0.13 2.61 2.01 -1.26 -4.66 115.64 117.36 1bnn s THR 87 Ca 0.00 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 1bnn s THR 87 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1bnn s THR 87 CO 0.00 0.43 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.92 1bnn s TYR 88 N 0.16 2.81 0.01 4.92 1.51 -0.57 -1.62 117.35 124.58 1bnn s TYR 88 Ca 0.17 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 1bnn s TYR 88 Cb -0.13 -1.84 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 1bnn s TYR 88 CO 0.05 -0.21 0.44 1.03 -1.11 0.00 0.00 175.55 175.75 1bnn s ARG 89 N 0.35 3.97 -0.10 -0.62 0.52 -0.18 -0.43 118.95 122.46 1bnn s ARG 89 Ca -0.11 0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 55.28 1bnn s ARG 89 Cb -0.16 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1bnn s ARG 89 CO 0.06 0.68 1.20 -1.17 0.02 0.00 0.00 175.30 176.09 1bnn s LEU 90 N -1.09 4.24 -0.14 2.53 2.96 -0.24 -1.43 118.68 125.51 1bnn s LEU 90 Ca 0.25 1.74 0.05 0.00 -0.22 0.00 0.00 54.13 55.95 1bnn s LEU 90 Cb -0.17 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 1bnn s LEU 90 CO 0.14 -0.63 -0.06 0.00 -1.32 0.00 0.00 176.35 174.48 1bnn n ILE 91 N 4.87 0.85 -3.65 6.68 3.06 -0.29 -4.45 119.36 126.44 1bnn n ILE 91 Ca 0.12 -0.41 -0.03 0.00 -2.50 0.00 0.00 62.75 59.93 1bnn n ILE 91 Cb 0.46 -0.89 -0.01 0.00 0.54 0.00 0.00 39.64 39.74 1bnn n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bnn s GLN 92 N -2.30 0.74 0.03 9.51 1.03 -1.23 -0.84 119.66 126.61 1bnn s GLN 92 Ca -0.14 -0.38 0.01 0.00 0.04 0.00 0.00 55.36 54.89 1bnn s GLN 92 Cb 0.05 0.27 -0.02 0.00 0.03 0.00 0.00 33.01 33.34 1bnn s GLN 92 CO 0.41 -0.34 -0.05 -0.59 -2.54 0.00 0.00 175.29 172.19 1bnn s PHE 93 N -2.85 0.40 0.32 9.60 -0.12 -0.76 -0.71 117.98 123.86 1bnn s PHE 93 Ca 0.11 -0.52 -0.04 0.00 -0.05 0.00 0.00 56.93 56.43 1bnn s PHE 93 Cb 0.01 -0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.14 1bnn s PHE 93 CO -0.03 -0.16 0.47 -3.38 -0.05 0.00 0.00 175.22 172.08 1bnn s HIS 94 N -1.45 0.94 0.24 3.49 -3.43 -0.88 -1.51 115.29 112.69 1bnn s HIS 94 Ca -0.14 -1.20 0.04 0.00 -0.80 0.00 0.00 55.06 52.97 1bnn s HIS 94 Cb -0.10 -0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 30.96 1bnn s HIS 94 CO -0.01 -1.11 -0.02 -0.06 -2.00 0.00 0.00 174.74 171.55 1bnn s PHE 95 N -3.22 1.66 -0.03 0.38 0.40 -1.26 -1.29 117.98 114.62 1bnn s PHE 95 Ca 0.29 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1bnn s PHE 95 Cb -0.00 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.59 1bnn s PHE 95 CO 0.18 0.05 -0.02 -1.01 0.70 0.00 0.00 175.22 175.12 1bnn s HIS 96 N -3.30 0.51 0.20 0.36 3.76 -0.90 -4.74 115.29 111.19 1bnn s HIS 96 Ca 0.28 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.05 1bnn s HIS 96 Cb 0.05 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 1bnn s HIS 96 CO 0.09 -0.14 0.23 1.67 -0.85 0.00 0.00 174.74 175.74 1bnn s TRP 97 N 0.87 0.83 0.53 1.40 -2.14 -1.22 -1.30 118.94 117.91 1bnn s TRP 97 Ca -0.10 -1.12 0.07 0.00 2.66 0.00 0.00 56.10 57.60 1bnn s TRP 97 Cb -0.13 -0.30 0.04 0.00 -3.10 0.00 0.00 33.47 29.98 1bnn s TRP 97 CO -0.01 -0.73 0.48 0.20 -2.66 0.00 0.00 176.95 174.24 1bnn s GLY 98 N -3.09 2.21 0.10 3.67 0.00 -1.12 -1.21 107.32 107.89 1bnn s GLY 98 Ca 0.31 -1.53 0.25 0.00 0.00 0.00 0.00 44.72 43.75 1bnn s GLY 98 CO 0.09 -1.86 1.51 -1.14 0.00 0.00 0.00 173.10 171.70 1bnn n SER 99 N -1.83 0.60 -4.14 1.64 3.41 -1.26 -4.39 113.62 107.64 1bnn n SER 99 Ca 0.03 0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1bnn n SER 99 Cb 0.63 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1bnn n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnn s LEU 100 N -3.92 2.43 0.54 1.04 1.43 -1.26 -5.06 118.68 113.88 1bnn s LEU 100 Ca 0.09 -0.87 0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1bnn s LEU 100 Cb 0.15 -0.12 1.48 0.00 0.03 0.00 0.00 46.19 47.73 1bnn s LEU 100 CO 0.67 -0.38 2.15 0.44 0.23 0.00 0.00 176.35 179.46 1bnn h ASP 101 N 3.42 0.00 -0.24 2.29 3.32 -1.92 -3.02 116.42 120.27 1bnn h ASP 101 Ca -0.36 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1bnn h ASP 101 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1bnn h ASP 101 CO 0.57 0.06 0.04 0.61 -1.72 0.00 0.00 179.24 178.80 1bnn n GLY 102 N -1.19 2.20 3.47 2.75 0.00 -1.26 -3.13 105.19 108.03 1bnn n GLY 102 Ca -0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1bnn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bnn s GLN 103 N -1.60 1.32 0.00 1.61 -2.07 -1.14 -4.70 119.66 113.08 1bnn s GLN 103 Ca 0.21 -0.52 0.00 0.00 -1.82 0.00 0.00 55.36 53.23 1bnn s GLN 103 Cb 0.16 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.67 1bnn s GLN 103 CO 0.06 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 1bnn n GLY 104 N -0.38 4.55 3.81 2.60 0.00 -1.00 -3.01 105.19 111.74 1bnn n GLY 104 Ca -0.15 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1bnn n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnn s SER 105 N 0.00 5.95 -0.18 1.61 1.04 -0.37 -3.45 113.70 118.30 1bnn s SER 105 Ca 0.00 1.78 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 1bnn s SER 105 Cb 0.00 -2.53 -0.21 0.00 0.10 0.00 0.00 66.02 63.38 1bnn s SER 105 CO 0.00 -1.05 0.24 -0.62 0.98 0.00 0.00 173.24 172.79 1bnn n GLU 106 N -1.89 0.64 -2.93 4.02 1.02 -1.26 -4.78 120.64 115.46 1bnn n GLU 106 Ca 0.08 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 1bnn n GLU 106 Cb 0.53 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1bnn n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bnn s HIS 107 N -2.45 3.51 0.23 -0.32 3.76 -1.26 -4.40 115.29 114.36 1bnn s HIS 107 Ca -0.27 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.28 1bnn s HIS 107 Cb 0.07 -2.77 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1bnn s HIS 107 CO 0.65 0.12 -0.17 0.95 -0.85 0.00 0.00 174.74 175.45 1bnn s THR 108 N -1.84 2.03 -0.24 1.30 -4.23 -1.18 -4.69 115.64 106.79 1bnn s THR 108 Ca 0.53 -2.28 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1bnn s THR 108 Cb -0.14 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.62 1bnn s THR 108 CO 0.19 -0.51 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.98 1bnn s VAL 109 N -2.78 1.82 -1.45 2.29 1.01 -0.55 -0.11 120.40 120.63 1bnn s VAL 109 Ca 0.25 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 1bnn s VAL 109 Cb -0.02 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1bnn s VAL 109 CO 0.10 -0.03 0.93 0.47 0.00 0.00 0.00 175.10 176.56 1bnn n ASP 110 N 4.57 -6.19 0.00 3.32 8.00 0.95 -0.36 116.55 126.84 1bnn n ASP 110 Ca -0.13 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1bnn n ASP 110 Cb 0.44 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1bnn n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bnn n LYS 111 N -4.58 -0.11 -2.74 -1.24 4.76 -1.26 -4.99 118.16 108.00 1bnn n LYS 111 Ca -0.04 0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 1bnn n LYS 111 Cb 0.58 -3.15 -0.04 0.00 -1.84 0.00 0.00 35.03 30.59 1bnn n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bnn s LYS 112 N -0.33 4.61 -0.03 1.97 2.20 0.52 -4.99 119.74 123.68 1bnn s LYS 112 Ca 0.00 1.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.99 1bnn s LYS 112 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1bnn s LYS 112 CO 0.00 0.07 0.10 0.15 -0.36 0.00 0.00 175.35 175.31 1bnn s LYS 113 N 0.55 3.19 0.41 4.03 1.02 -1.26 -1.49 119.74 126.19 1bnn s LYS 113 Ca 0.49 -0.39 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1bnn s LYS 113 Cb -0.22 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1bnn s LYS 113 CO 0.28 0.68 0.43 0.71 -0.92 0.00 0.00 175.35 176.53 1bnn s TYR 114 N -1.15 2.78 0.36 3.18 2.02 -1.26 -4.64 117.35 118.63 1bnn s TYR 114 Ca 0.21 -0.43 0.09 0.00 -0.37 0.00 0.00 57.07 56.57 1bnn s TYR 114 Cb -0.12 -2.19 0.68 0.00 -0.40 0.00 0.00 41.96 39.93 1bnn s TYR 114 CO 0.12 -0.17 1.84 0.00 -1.57 0.00 0.00 175.55 175.77 1bnn h ALA 115 N 0.93 1.37 -3.00 3.71 0.00 -1.35 -0.90 119.26 120.03 1bnn h ALA 115 Ca -0.41 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.24 1bnn h ALA 115 Cb 1.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1bnn h ALA 115 CO 0.54 0.43 0.25 0.00 0.00 0.00 0.00 179.25 180.47 1bnn s ALA 116 N -4.50 -0.98 -0.17 0.00 0.00 -1.20 -2.78 121.76 112.13 1bnn s ALA 116 Ca -0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1bnn s ALA 116 Cb 0.15 0.76 0.07 0.00 0.00 0.00 0.00 23.12 24.10 1bnn s ALA 116 CO 0.74 -1.01 0.38 -2.00 0.00 0.00 0.00 175.76 173.87 1bnn s GLU 117 N -3.12 0.32 -0.12 0.00 2.12 -0.42 -1.50 118.70 115.97 1bnn s GLU 117 Ca 0.13 0.84 -0.16 0.00 0.36 0.00 0.00 54.97 56.14 1bnn s GLU 117 Cb -0.06 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1bnn s GLU 117 CO 0.09 -0.20 0.38 -1.17 -0.54 0.00 0.00 175.26 173.82 1bnn s LEU 118 N 1.90 4.29 -0.22 2.70 2.96 0.62 -2.11 118.68 128.81 1bnn s LEU 118 Ca -0.06 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1bnn s LEU 118 Cb -0.10 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.10 1bnn s LEU 118 CO -0.12 0.09 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.86 1bnn s HIS 119 N 0.31 3.01 -0.38 5.38 3.76 -0.41 -0.78 115.29 126.18 1bnn s HIS 119 Ca 0.21 -1.91 -0.15 0.00 -0.15 0.00 0.00 55.06 53.06 1bnn s HIS 119 Cb -0.14 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1bnn s HIS 119 CO 0.08 -0.83 0.32 -0.51 -0.85 0.00 0.00 174.74 172.95 1bnn s LEU 120 N 1.22 4.74 -0.15 0.89 1.43 -0.58 -2.06 118.68 124.16 1bnn s LEU 120 Ca -0.01 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 1bnn s LEU 120 Cb -0.16 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1bnn s LEU 120 CO -0.09 -0.39 0.44 -0.69 0.23 0.00 0.00 176.35 175.85 1bnn s VAL 121 N 1.86 5.20 0.10 -1.59 1.01 0.11 -1.10 120.40 125.98 1bnn s VAL 121 Ca 0.08 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1bnn s VAL 121 Cb -0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1bnn s VAL 121 CO 0.11 0.30 -0.18 -1.00 0.00 0.00 0.00 175.10 174.34 1bnn s HIS 122 N 0.85 1.56 0.06 5.22 3.76 -0.34 -1.13 115.29 125.26 1bnn s HIS 122 Ca 0.23 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 1bnn s HIS 122 Cb -0.15 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1bnn s HIS 122 CO 0.09 0.16 -0.20 1.67 -0.85 0.00 0.00 174.74 175.60 1bnn s TRP 123 N -1.38 1.76 -0.40 1.40 1.48 -0.51 -1.17 118.94 120.12 1bnn s TRP 123 Ca 0.05 -0.39 -0.28 0.00 -1.06 0.00 0.00 56.10 54.42 1bnn s TRP 123 Cb -0.09 -1.03 -0.02 0.00 -1.16 0.00 0.00 33.47 31.17 1bnn s TRP 123 CO 0.04 0.12 1.83 1.21 -4.06 0.00 0.00 176.95 176.08 1bnn s ASN 124 N -1.38 5.71 0.61 -2.66 3.84 0.91 -1.01 114.94 120.96 1bnn s ASN 124 Ca 0.07 1.07 0.30 0.00 0.21 0.00 0.00 52.86 54.51 1bnn s ASN 124 Cb -0.09 -2.53 1.66 0.00 -0.55 0.00 0.00 41.25 39.75 1bnn s ASN 124 CO 0.02 -1.89 2.03 0.71 -2.79 0.00 0.00 177.10 175.18 1bnn h THR 125 N 6.85 0.31 0.00 -5.21 1.35 -1.65 -0.70 112.91 113.86 1bnn h THR 125 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1bnn h THR 125 Cb 1.17 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1bnn h THR 125 CO 1.08 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.64 1bnn n LYS 127 N -3.53 0.00 -0.13 4.72 2.85 -1.26 -2.17 118.16 118.64 1bnn n LYS 127 Ca 0.02 0.36 0.12 0.00 -1.05 0.00 0.00 58.31 57.76 1bnn n LYS 127 Cb 0.41 -1.51 0.26 0.00 -0.65 0.00 0.00 35.03 33.54 1bnn n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bnn n TYR 128 N -1.51 0.33 0.00 5.58 4.01 -0.27 -5.00 117.16 120.30 1bnn n TYR 128 Ca 0.02 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1bnn n TYR 128 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1bnn n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bnn n GLY 129 N 1.36 1.87 3.36 2.72 0.00 -0.92 -4.46 105.19 109.12 1bnn n GLY 129 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1bnn n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bnn s ASP 130 N 0.00 0.03 0.29 1.61 1.47 -1.26 -5.04 116.67 113.77 1bnn s ASP 130 Ca 0.00 -0.93 0.02 0.00 1.18 0.00 0.00 52.55 52.82 1bnn s ASP 130 Cb 0.00 0.45 0.60 0.00 -0.34 0.00 0.00 42.92 43.63 1bnn s ASP 130 CO 0.00 -0.93 1.83 0.15 0.68 0.00 0.00 175.17 176.90 1bnn h PHE 131 N 2.51 1.13 -0.99 2.11 3.57 -1.94 -1.90 116.94 121.42 1bnn h PHE 131 Ca -0.31 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.26 1bnn h PHE 131 Cb 1.23 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1bnn h PHE 131 CO 0.39 0.41 0.65 0.78 -2.23 0.00 0.00 178.31 178.31 1bnn h GLY 132 N 0.95 1.46 1.25 2.40 0.00 -1.96 -1.87 103.07 105.30 1bnn h GLY 132 Ca 0.51 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1bnn h GLY 132 CO -0.29 0.40 -1.03 0.50 0.00 0.00 0.00 176.54 176.13 1bnn h LYS 133 N 1.23 0.67 -0.99 4.80 1.79 -1.63 -3.27 116.57 119.17 1bnn h LYS 133 Ca 0.40 -0.72 0.12 0.00 -2.18 0.00 0.00 60.65 58.28 1bnn h LYS 133 Cb 0.05 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 1bnn h LYS 133 CO -0.13 1.30 0.63 0.00 -1.08 0.00 0.00 179.45 180.16 1bnn h ALA 134 N 0.45 1.56 0.00 3.86 0.00 -0.91 -0.36 119.26 123.86 1bnn h ALA 134 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bnn h ALA 134 Cb 1.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1bnn h ALA 134 CO 0.20 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.97 1bnn n VAL 135 N -4.61 0.00 0.44 0.00 0.24 -0.75 -1.63 118.33 112.02 1bnn n VAL 135 Ca 0.19 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.56 1bnn n VAL 135 Cb 0.37 -0.44 0.10 0.00 -1.47 0.00 0.00 33.84 32.40 1bnn n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnn n GLN 136 N -0.76 1.51 -4.77 7.34 6.02 -0.15 -4.91 117.38 121.66 1bnn n GLN 136 Ca 0.08 -1.60 -0.31 0.00 -0.01 0.00 0.00 57.00 55.16 1bnn n GLN 136 Cb 0.04 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 1bnn n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bnn s GLN 137 N -1.21 2.12 0.65 -1.09 -1.52 -0.65 -5.02 119.66 112.95 1bnn s GLN 137 Ca 0.21 -0.94 0.41 0.00 -1.95 0.00 0.00 55.36 53.09 1bnn s GLN 137 Cb 0.14 -2.19 2.26 0.00 -0.22 0.00 0.00 33.01 33.00 1bnn s GLN 137 CO 0.20 0.55 2.32 -1.00 -0.25 0.00 0.00 175.29 177.11 1bnn h PRO 138 N 4.77 0.00 -0.45 2.91 0.13 -1.86 -1.12 132.00 136.37 1bnn h PRO 138 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1bnn h PRO 138 Cb 1.15 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.94 1bnn h PRO 138 CO 0.48 0.00 -0.85 -0.40 -0.23 0.00 0.00 178.00 176.99 1bnn n ASP 139 N -3.22 3.10 0.12 1.44 5.75 -1.26 -4.25 116.55 118.24 1bnn n ASP 139 Ca -0.03 -3.19 -0.00 0.00 -0.01 0.00 0.00 54.79 51.56 1bnn n ASP 139 Cb 0.10 -0.41 0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1bnn n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bnn h GLY 140 N 1.94 0.00 -3.43 6.12 0.00 -0.81 -3.43 103.07 103.46 1bnn h GLY 140 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.06 1bnn h GLY 140 CO 0.41 0.00 -0.74 1.08 0.00 0.00 0.00 176.54 177.28 1bnn s LEU 141 N -6.74 2.43 -0.07 3.11 1.43 0.26 -0.06 118.68 119.04 1bnn s LEU 141 Ca 0.02 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1bnn s LEU 141 Cb 0.09 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1bnn s LEU 141 CO 0.76 -0.20 0.02 0.00 0.23 0.00 0.00 176.35 177.16 1bnn s ALA 142 N -2.45 0.60 -0.14 4.21 0.00 -0.32 -0.80 121.76 122.85 1bnn s ALA 142 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1bnn s ALA 142 Cb -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1bnn s ALA 142 CO 0.02 -0.53 -0.13 0.08 0.00 0.00 0.00 175.76 175.21 1bnn s VAL 143 N 2.02 2.97 -0.36 0.00 1.01 -1.02 -1.20 120.40 123.82 1bnn s VAL 143 Ca 0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1bnn s VAL 143 Cb -0.13 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1bnn s VAL 143 CO -0.05 0.51 0.59 -0.22 0.00 0.00 0.00 175.10 175.94 1bnn s LEU 144 N 0.57 4.31 -0.18 3.92 0.20 -0.26 -1.91 118.68 125.33 1bnn s LEU 144 Ca -0.08 0.05 -0.09 0.00 0.69 0.00 0.00 54.13 54.70 1bnn s LEU 144 Cb -0.16 -2.71 -0.05 0.00 -0.43 0.00 0.00 46.19 42.84 1bnn s LEU 144 CO 0.03 -0.57 0.13 -0.83 -0.29 0.00 0.00 176.35 174.83 1bnn s GLY 145 N 1.79 2.06 -0.07 7.98 0.00 0.18 -1.52 107.32 117.75 1bnn s GLY 145 Ca 0.22 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1bnn s GLY 145 CO 0.15 0.04 -0.11 -0.42 0.00 0.00 0.00 173.10 172.75 1bnn s ILE 146 N 0.09 1.09 0.34 0.90 1.01 0.04 -1.70 121.20 122.98 1bnn s ILE 146 Ca 0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1bnn s ILE 146 Cb -0.11 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.25 1bnn s ILE 146 CO -0.01 0.35 0.81 -0.36 0.00 0.00 0.00 174.94 175.73 1bnn s PHE 147 N 0.75 3.41 -0.09 3.97 0.08 -1.26 -0.28 117.98 124.55 1bnn s PHE 147 Ca -0.13 1.38 0.04 0.00 0.12 0.00 0.00 56.93 58.34 1bnn s PHE 147 Cb -0.16 -2.66 -0.00 0.00 -0.57 0.00 0.00 43.02 39.63 1bnn s PHE 147 CO 0.03 0.07 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.48 1bnn s LEU 148 N -2.87 2.18 0.12 -0.37 1.02 -0.56 -1.35 118.68 116.85 1bnn s LEU 148 Ca 0.55 -0.51 0.11 0.00 0.02 0.00 0.00 54.13 54.29 1bnn s LEU 148 Cb -0.11 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 1bnn s LEU 148 CO 0.17 0.18 -0.27 -1.59 0.02 0.00 0.00 176.35 174.86 1bnn s LYS 149 N 0.22 1.42 0.13 1.70 -2.85 -0.41 -2.01 119.74 117.93 1bnn s LYS 149 Ca -0.14 -1.33 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 1bnn s LYS 149 Cb -0.17 -1.89 -0.07 0.00 -2.06 0.00 0.00 37.83 33.65 1bnn s LYS 149 CO 0.07 0.45 1.05 0.08 0.10 0.00 0.00 175.35 177.10 1bnn s VAL 150 N -1.05 4.17 0.00 1.79 1.01 -1.26 -0.68 120.40 124.39 1bnn s VAL 150 Ca 0.14 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1bnn s VAL 150 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1bnn s VAL 150 CO 0.06 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1bnn n GLY 151 N 2.27 -0.57 3.79 4.51 0.00 0.56 -4.81 105.19 110.93 1bnn n GLY 151 Ca 0.03 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1bnn n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnn s SER 152 N -4.00 5.95 0.45 1.61 1.04 -1.26 -3.41 113.70 114.07 1bnn s SER 152 Ca 0.00 1.96 -0.25 0.00 0.48 0.00 0.00 55.95 58.13 1bnn s SER 152 Cb 0.00 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 1bnn s SER 152 CO 0.00 -1.06 1.39 0.00 0.98 0.00 0.00 173.24 174.55 1bnn s ALA 153 N -2.10 3.21 -0.45 5.32 0.00 -1.26 -2.75 121.76 123.73 1bnn s ALA 153 Ca 0.67 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 1bnn s ALA 153 Cb -0.18 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.44 1bnn s ALA 153 CO 0.28 -1.10 0.35 0.21 0.00 0.00 0.00 175.76 175.50 1bnn s LYS 154 N -2.43 2.92 0.26 0.00 2.47 -1.23 -4.79 119.74 116.93 1bnn s LYS 154 Ca 0.61 -1.30 -0.02 0.00 -1.56 0.00 0.00 55.97 53.69 1bnn s LYS 154 Cb -0.42 -4.04 0.55 0.00 -1.46 0.00 0.00 37.83 32.46 1bnn s LYS 154 CO 0.53 -0.96 1.69 -1.35 0.16 0.00 0.00 175.35 175.43 1bnn h PRO 155 N 8.67 0.32 0.00 4.03 0.11 -1.91 -1.34 132.00 141.88 1bnn h PRO 155 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1bnn h PRO 155 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1bnn h PRO 155 CO 0.83 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 1bnn n GLY 156 N -1.35 -1.21 0.11 -0.55 0.00 -1.26 -2.44 105.19 98.49 1bnn n GLY 156 Ca 0.17 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1bnn n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bnn h LEU 157 N 0.00 0.00 -1.67 0.99 5.85 -1.49 -3.38 115.31 115.61 1bnn h LEU 157 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1bnn h LEU 157 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1bnn h LEU 157 CO 0.00 0.02 0.23 -0.61 -0.34 0.00 0.00 178.44 177.73 1bnn h GLN 158 N 0.00 0.44 -0.43 1.25 5.75 -1.44 -1.73 115.11 118.95 1bnn h GLN 158 Ca 0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1bnn h GLN 158 Cb 0.96 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1bnn h GLN 158 CO 0.00 0.29 0.15 -0.22 -2.65 0.00 0.00 178.83 176.40 1bnn h LYS 159 N 0.46 0.63 -0.14 1.69 3.64 -1.76 -0.78 116.57 120.31 1bnn h LYS 159 Ca 0.13 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1bnn h LYS 159 Cb -0.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1bnn h LYS 159 CO -0.03 0.54 -0.42 0.28 -2.27 0.00 0.00 179.45 177.55 1bnn h VAL 160 N 0.62 1.36 -0.45 2.00 2.07 -1.60 -3.21 116.25 117.04 1bnn h VAL 160 Ca 0.15 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.99 1bnn h VAL 160 Cb 0.17 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1bnn h VAL 160 CO -0.01 0.52 0.23 0.58 0.02 0.00 0.00 177.57 178.91 1bnn h VAL 161 N 0.15 0.98 -0.73 2.57 2.07 -0.91 -2.92 116.25 117.45 1bnn h VAL 161 Ca -0.01 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1bnn h VAL 161 Cb 1.04 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1bnn h VAL 161 CO 0.09 0.09 0.46 0.44 0.02 0.00 0.00 177.57 178.67 1bnn h ASP 162 N 0.47 0.76 0.57 0.57 3.32 -1.22 -2.60 116.42 118.30 1bnn h ASP 162 Ca 0.19 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1bnn h ASP 162 Cb 0.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1bnn h ASP 162 CO -0.13 0.53 0.00 0.55 -1.72 0.00 0.00 179.24 178.47 1bnn n VAL 163 N -4.64 0.39 0.31 -1.35 3.14 -1.11 -3.87 118.33 111.19 1bnn n VAL 163 Ca 0.08 0.10 0.17 0.00 -2.96 0.00 0.00 64.34 61.73 1bnn n VAL 163 Cb 0.08 -0.72 0.99 0.00 -1.06 0.00 0.00 33.84 33.13 1bnn n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bnn h LEU 164 N 0.00 0.00 -1.03 6.55 3.38 -1.37 -2.17 115.31 120.66 1bnn h LEU 164 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bnn h LEU 164 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1bnn h LEU 164 CO 0.00 0.00 0.41 0.44 0.09 0.00 0.00 178.44 179.39 1bnn h ASP 165 N 0.00 0.98 0.77 -0.43 3.32 -1.80 -2.21 116.42 117.05 1bnn h ASP 165 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bnn h ASP 165 Cb 0.01 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1bnn h ASP 165 CO 0.00 0.80 0.00 -1.20 -1.72 0.00 0.00 179.24 177.12 1bnn n SER 166 N -4.34 0.17 -2.46 6.45 7.64 -0.82 -3.52 113.62 116.75 1bnn n SER 166 Ca 0.08 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.36 1bnn n SER 166 Cb 0.11 -0.57 0.03 0.00 -1.01 0.00 0.00 64.21 62.77 1bnn n SER 166 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1bnn n ILE 167 N -1.68 1.86 -0.03 0.44 -5.35 -0.84 -4.58 119.36 109.18 1bnn n ILE 167 Ca 0.05 -3.66 0.03 0.00 -0.27 0.00 0.00 62.75 58.89 1bnn n ILE 167 Cb 0.25 -0.00 0.37 0.00 -1.74 0.00 0.00 39.64 38.52 1bnn n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bnn h LYS 168 N 2.48 0.61 -6.28 6.28 3.64 -1.58 -3.40 116.57 118.32 1bnn h LYS 168 Ca 0.11 -0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.84 1bnn h LYS 168 Cb 1.33 -0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 1bnn h LYS 168 CO 0.51 0.44 -0.74 0.95 -2.27 0.00 0.00 179.45 178.35 1bnn s THR 169 N -5.46 2.75 0.05 1.00 -4.23 -1.26 -0.09 115.64 108.40 1bnn s THR 169 Ca -0.09 -2.19 -0.35 0.00 -1.18 0.00 0.00 61.69 57.88 1bnn s THR 169 Cb 0.17 -2.43 -0.14 0.00 1.34 0.00 0.00 72.50 71.44 1bnn s THR 169 CO 0.75 -0.34 1.60 1.17 -0.54 0.00 0.00 174.62 177.25 1bnn n LYS 170 N -0.52 1.80 0.00 3.99 4.81 0.13 -1.84 118.16 126.53 1bnn n LYS 170 Ca -0.07 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1bnn n LYS 170 Cb 0.59 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1bnn n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bnn n GLY 171 N 3.46 3.22 3.79 3.14 0.00 7.41 -4.48 105.19 121.74 1bnn n GLY 171 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1bnn n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnn s LYS 172 N -0.84 4.20 0.16 1.61 1.02 -0.77 -4.89 119.74 120.23 1bnn s LYS 172 Ca 0.00 1.39 -0.07 0.00 0.02 0.00 0.00 55.97 57.31 1bnn s LYS 172 Cb 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1bnn s LYS 172 CO 0.00 -0.09 0.23 -1.54 -0.92 0.00 0.00 175.35 173.03 1bnn s SER 173 N -1.74 0.10 -0.05 2.83 1.04 -1.26 -1.48 113.70 113.13 1bnn s SER 173 Ca 0.59 -0.95 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 1bnn s SER 173 Cb -0.18 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1bnn s SER 173 CO 0.23 -0.86 0.50 0.00 0.98 0.00 0.00 173.24 174.09 1bnn s ALA 174 N -3.99 -1.28 0.27 5.32 0.00 -0.36 -4.87 121.76 116.86 1bnn s ALA 174 Ca 0.19 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1bnn s ALA 174 Cb 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.98 1bnn s ALA 174 CO 0.01 -0.31 1.48 -0.51 0.00 0.00 0.00 175.76 176.42 1bnn s ASP 175 N -1.07 6.57 -0.42 0.00 1.01 -1.26 -1.26 116.67 120.24 1bnn s ASP 175 Ca -0.11 2.77 0.06 0.00 0.71 0.00 0.00 52.55 55.98 1bnn s ASP 175 Cb -0.03 -2.63 0.22 0.00 1.01 0.00 0.00 42.92 41.49 1bnn s ASP 175 CO 0.06 -0.76 0.52 0.33 0.21 0.00 0.00 175.17 175.54 1bnn n PHE 176 N 2.07 -1.17 -3.23 4.23 7.35 -0.19 -4.75 117.46 121.77 1bnn n PHE 176 Ca 0.06 -3.10 -0.20 0.00 -0.76 0.00 0.00 57.45 53.46 1bnn n PHE 176 Cb 0.39 0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.44 1bnn n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bnn s THR 177 N -0.41 3.79 -1.55 -2.13 -4.23 -1.25 -3.10 115.64 106.75 1bnn s THR 177 Ca 0.34 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1bnn s THR 177 Cb 0.12 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.65 1bnn s THR 177 CO -0.15 -0.16 0.53 0.59 -0.54 0.00 0.00 174.62 174.89 1bnn n ASN 178 N -1.82 -5.83 -4.73 3.99 3.02 -1.26 -4.94 115.26 103.69 1bnn n ASN 178 Ca 0.02 -0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 53.95 1bnn n ASN 178 Cb 0.58 -4.74 -0.08 0.00 -0.61 0.00 0.00 39.78 34.94 1bnn n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bnn s PHE 179 N -3.13 3.44 -0.43 3.10 5.36 -1.26 -5.02 117.98 120.03 1bnn s PHE 179 Ca 0.28 0.45 -0.18 0.00 -0.96 0.00 0.00 56.93 56.52 1bnn s PHE 179 Cb -0.13 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1bnn s PHE 179 CO 0.34 0.28 0.49 0.34 -1.46 0.00 0.00 175.22 175.20 1bnn s ASP 180 N 0.38 6.22 0.20 6.13 -1.08 -1.26 -4.49 116.67 122.77 1bnn s ASP 180 Ca 0.12 -0.65 0.21 0.00 -0.52 0.00 0.00 52.55 51.70 1bnn s ASP 180 Cb -0.12 -2.24 0.90 0.00 -1.46 0.00 0.00 42.92 39.99 1bnn s ASP 180 CO 0.01 -0.64 1.64 -0.81 0.52 0.00 0.00 175.17 175.89 1bnn n PRO 181 N 5.75 0.15 0.26 4.34 -0.04 -1.26 -2.49 135.00 141.70 1bnn n PRO 181 Ca -0.06 0.40 0.18 0.00 -0.04 0.00 0.00 63.50 63.98 1bnn n PRO 181 Cb 0.47 -1.79 0.85 0.00 -0.04 0.00 0.00 33.50 32.99 1bnn n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bnn h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.32 114.38 114.76 1bnn h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bnn h ARG 182 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1bnn h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1bnn n GLY 183 N -0.63 -0.85 0.45 0.04 0.00 -1.04 -2.48 105.19 100.69 1bnn n GLY 183 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1bnn n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bnn n LEU 184 N -1.18 1.91 -4.80 0.99 4.77 -0.50 -4.19 117.00 114.01 1bnn n LEU 184 Ca 0.12 -0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 54.77 1bnn n LEU 184 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1bnn n LEU 184 CO 0.14 0.36 0.48 -0.76 -1.33 0.00 0.00 177.39 176.28 1bnn s LEU 185 N -1.15 4.42 1.06 2.23 1.43 -1.03 -4.90 118.68 120.73 1bnn s LEU 185 Ca 0.14 1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 1bnn s LEU 185 Cb 0.10 -3.56 0.24 0.00 0.03 0.00 0.00 46.19 43.00 1bnn s LEU 185 CO 0.18 0.07 1.26 -2.16 0.23 0.00 0.00 176.35 175.93 1bnn s PRO 186 N -1.72 -0.12 0.04 1.29 0.04 -1.26 -4.99 135.00 128.28 1bnn s PRO 186 Ca 0.42 -0.34 -0.21 0.00 0.04 0.00 0.00 61.00 60.91 1bnn s PRO 186 Cb -0.19 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1bnn s PRO 186 CO 0.23 -2.93 1.36 0.93 0.04 0.00 0.00 177.00 176.63 1bnn h GLU 187 N -2.02 0.32 -5.98 4.56 5.08 -1.91 -3.44 114.58 111.19 1bnn h GLU 187 Ca -0.44 -0.15 -0.61 0.00 -1.00 0.00 0.00 59.36 57.15 1bnn h GLU 187 Cb 1.25 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1bnn h GLU 187 CO 0.35 0.68 -0.26 0.45 -1.00 0.00 0.00 179.01 179.22 1bnn s SER 188 N -6.03 6.69 -0.26 1.42 0.15 -1.26 -5.00 113.70 109.41 1bnn s SER 188 Ca -0.14 0.83 0.13 0.00 0.70 0.00 0.00 55.95 57.47 1bnn s SER 188 Cb 0.05 -2.20 0.77 0.00 -1.71 0.00 0.00 66.02 62.94 1bnn s SER 188 CO 0.74 0.30 1.73 0.18 1.20 0.00 0.00 173.24 177.39 1bnn n LEU 189 N 1.57 5.64 -4.77 3.45 4.77 -1.26 -4.67 117.00 121.73 1bnn n LEU 189 Ca -0.13 -3.03 -0.40 0.00 -0.03 0.00 0.00 56.01 52.41 1bnn n LEU 189 Cb 0.53 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1bnn n LEU 189 CO 0.38 0.69 1.02 -1.81 -1.33 0.00 0.00 177.39 176.33 1bnn s ASP 190 N -1.00 6.56 0.30 -1.43 1.01 -1.26 -4.71 116.67 116.15 1bnn s ASP 190 Ca 0.54 2.78 -0.01 0.00 0.71 0.00 0.00 52.55 56.56 1bnn s ASP 190 Cb 0.42 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1bnn s ASP 190 CO 0.14 -0.69 0.37 -0.72 0.21 0.00 0.00 175.17 174.48 1bnn s TYR 191 N -1.16 1.14 0.16 4.23 -0.85 -1.26 -0.31 117.35 119.30 1bnn s TYR 191 Ca 0.52 -1.31 0.10 0.00 -0.52 0.00 0.00 57.07 55.86 1bnn s TYR 191 Cb -0.41 -0.27 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 1bnn s TYR 191 CO 0.55 -0.97 -0.23 -1.58 -1.52 0.00 0.00 175.55 171.80 1bnn s TRP 192 N -3.47 2.12 -0.04 -3.49 0.51 0.01 -1.63 118.94 112.96 1bnn s TRP 192 Ca 0.33 -0.39 -0.14 0.00 -2.12 0.00 0.00 56.10 53.77 1bnn s TRP 192 Cb 0.01 -1.09 0.03 0.00 -0.81 0.00 0.00 33.47 31.61 1bnn s TRP 192 CO 0.19 0.39 0.32 -0.08 -0.51 0.00 0.00 176.95 177.26 1bnn s THR 193 N -1.55 0.04 -0.09 2.01 -1.32 -0.31 -1.07 115.64 113.35 1bnn s THR 193 Ca 0.16 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 1bnn s THR 193 Cb -0.08 -0.59 0.12 0.00 -1.51 0.00 0.00 72.50 70.43 1bnn s THR 193 CO 0.08 -0.20 0.99 -0.72 -2.21 0.00 0.00 174.62 172.56 1bnn s TYR 194 N -0.99 -0.31 -0.09 9.09 1.13 -1.03 -1.71 117.35 123.45 1bnn s TYR 194 Ca -0.11 0.31 -0.24 0.00 -1.41 0.00 0.00 57.07 55.63 1bnn s TYR 194 Cb -0.05 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1bnn s TYR 194 CO 0.03 -0.41 0.73 -1.25 -2.51 0.00 0.00 175.55 172.15 1bnn s PRO 195 N -2.34 4.40 0.00 -3.49 0.04 -1.26 -1.38 135.00 130.97 1bnn s PRO 195 Ca 0.04 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1bnn s PRO 195 Cb -0.01 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1bnn s PRO 195 CO -0.05 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1bnn n GLY 196 N 3.22 5.53 2.99 0.56 0.00 1.00 -4.79 105.19 113.70 1bnn n GLY 196 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1bnn n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bnn n SER 197 N 0.00 -0.61 -4.79 1.61 3.41 -0.97 -2.81 113.62 109.45 1bnn n SER 197 Ca 0.00 -3.04 -0.33 0.00 -0.26 0.00 0.00 58.87 55.23 1bnn n SER 197 Cb 0.00 1.55 0.01 0.00 -0.26 0.00 0.00 64.21 65.51 1bnn n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnn s LEU 198 N 0.00 3.53 0.00 1.04 1.43 -0.42 -4.42 118.68 119.85 1bnn s LEU 198 Ca 0.37 1.92 0.26 0.00 -1.03 0.00 0.00 54.13 55.64 1bnn s LEU 198 Cb 0.02 -4.55 0.60 0.00 0.03 0.00 0.00 46.19 42.29 1bnn s LEU 198 CO 0.26 -1.25 1.48 0.35 0.23 0.00 0.00 176.35 177.42 1bnn n THR 199 N -1.94 0.00 -4.25 5.49 -2.24 -1.26 -4.50 114.28 105.59 1bnn n THR 199 Ca 0.10 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 1bnn n THR 199 Cb 0.52 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1bnn n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bnn s THR 200 N -2.14 1.19 0.66 4.28 -4.23 -1.26 -4.66 115.64 109.49 1bnn s THR 200 Ca 0.30 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1bnn s THR 200 Cb 0.20 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1bnn s THR 200 CO 0.38 -0.70 0.85 -2.65 -0.54 0.00 0.00 174.62 171.97 1bnn n PRO 201 N -0.08 0.62 0.00 3.99 -0.02 -1.26 -0.62 135.00 137.63 1bnn n PRO 201 Ca -0.11 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1bnn n PRO 201 Cb 0.60 -2.09 0.24 0.00 -0.02 0.00 0.00 33.50 32.23 1bnn n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bnn n PRO 202 N -1.19 0.48 -2.28 0.52 -0.04 -1.26 -4.98 135.00 126.25 1bnn n PRO 202 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1bnn n PRO 202 Cb 0.49 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1bnn n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bnn n LEU 203 N -0.76 -1.60 -4.76 1.53 4.77 0.21 -4.90 117.00 111.49 1bnn n LEU 203 Ca 0.06 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1bnn n LEU 203 Cb 0.03 -2.64 -0.01 0.00 -2.33 0.00 0.00 43.42 38.47 1bnn n LEU 203 CO 0.05 -0.30 1.17 0.18 -1.33 0.00 0.00 177.39 177.16 1bnn n LEU 204 N -2.83 4.52 -3.93 2.23 4.77 -1.26 -4.35 117.00 116.14 1bnn n LEU 204 Ca -0.21 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.54 1bnn n LEU 204 Cb 0.65 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1bnn n LEU 204 CO 0.25 0.12 1.64 -0.62 -1.33 0.00 0.00 177.39 177.45 1bnn n GLU 205 N 1.24 3.91 0.00 3.23 1.02 -1.26 -1.30 120.64 127.48 1bnn n GLU 205 Ca 0.05 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.28 1bnn n GLU 205 Cb 0.38 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 1bnn n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bnn s VAL 207 N -0.62 4.65 -0.43 0.00 1.01 -1.12 -0.57 120.40 123.33 1bnn s VAL 207 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1bnn s VAL 207 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1bnn s VAL 207 CO 0.00 0.48 0.36 -0.89 0.00 0.00 0.00 175.10 175.05 1bnn s THR 208 N 0.25 5.19 -0.06 3.92 2.01 0.02 -0.00 115.64 126.96 1bnn s THR 208 Ca 0.03 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 1bnn s THR 208 Cb -0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1bnn s THR 208 CO 0.01 -0.40 0.78 0.26 -0.69 0.00 0.00 174.62 174.58 1bnn s TRP 209 N 1.84 3.58 -0.32 4.92 0.52 -0.48 -2.42 118.94 126.57 1bnn s TRP 209 Ca 0.07 1.35 0.03 0.00 0.02 0.00 0.00 56.10 57.57 1bnn s TRP 209 Cb -0.19 -2.90 0.09 0.00 -1.15 0.00 0.00 33.47 29.32 1bnn s TRP 209 CO 0.11 0.03 0.03 0.42 0.02 0.00 0.00 176.95 177.56 1bnn s ILE 210 N 1.01 2.00 -0.30 2.03 1.01 -0.80 -2.46 121.20 123.68 1bnn s ILE 210 Ca 0.41 -2.05 -0.10 0.00 0.00 0.00 0.00 60.65 58.91 1bnn s ILE 210 Cb -0.18 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1bnn s ILE 210 CO 0.20 -0.52 0.15 -0.69 0.00 0.00 0.00 174.94 174.08 1bnn s VAL 211 N 1.07 4.67 0.36 2.92 1.01 -0.23 -0.64 120.40 129.55 1bnn s VAL 211 Ca 0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1bnn s VAL 211 Cb -0.19 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1bnn s VAL 211 CO -0.10 0.10 1.33 -0.76 0.00 0.00 0.00 175.10 175.67 1bnn s LEU 212 N 1.63 4.36 0.08 3.92 1.43 -0.69 -0.81 118.68 128.60 1bnn s LEU 212 Ca 0.05 2.72 -0.17 0.00 -1.03 0.00 0.00 54.13 55.70 1bnn s LEU 212 Cb -0.17 -3.72 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 1bnn s LEU 212 CO 0.07 -0.66 1.45 0.50 0.23 0.00 0.00 176.35 177.93 1bnn h LYS 213 N 3.15 0.54 -5.64 1.70 3.64 -1.00 -3.44 116.57 115.52 1bnn h LYS 213 Ca -0.49 -0.24 -0.60 0.00 -1.27 0.00 0.00 60.65 58.05 1bnn h LYS 213 Cb 1.23 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 1bnn h LYS 213 CO 0.64 0.80 0.30 -2.00 -2.27 0.00 0.00 179.45 176.92 1bnn s GLU 214 N -4.59 4.15 0.51 1.90 2.12 -1.26 -5.03 118.70 116.50 1bnn s GLU 214 Ca -0.13 0.73 -0.06 0.00 0.36 0.00 0.00 54.97 55.87 1bnn s GLU 214 Cb 0.08 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1bnn s GLU 214 CO 0.78 -0.45 0.83 -1.25 -0.54 0.00 0.00 175.26 174.64 1bnn s PRO 215 N 2.61 3.45 0.12 4.30 0.04 -1.26 -4.69 135.00 139.57 1bnn s PRO 215 Ca 0.30 0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.59 1bnn s PRO 215 Cb -0.15 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1bnn s PRO 215 CO 0.08 -0.32 0.24 0.96 0.04 0.00 0.00 177.00 177.99 1bnn s ILE 216 N -2.83 5.24 -0.05 0.56 -4.36 -0.46 -4.90 121.20 114.40 1bnn s ILE 216 Ca 0.49 -0.63 -0.01 0.00 -0.26 0.00 0.00 60.65 60.25 1bnn s ILE 216 Cb -0.10 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 39.93 1bnn s ILE 216 CO 0.46 -0.01 0.01 -0.94 0.24 0.00 0.00 174.94 174.70 1bnn s SER 217 N -2.95 5.25 0.07 4.36 1.04 -1.26 -1.29 113.70 118.93 1bnn s SER 217 Ca 0.34 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1bnn s SER 217 Cb -0.12 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.53 1bnn s SER 217 CO 0.28 0.33 -0.12 0.68 0.98 0.00 0.00 173.24 175.39 1bnn s VAL 218 N -0.99 0.94 0.75 5.02 -7.23 0.15 -3.56 120.40 115.49 1bnn s VAL 218 Ca 0.16 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 1bnn s VAL 218 Cb -0.11 -1.07 0.04 0.00 0.56 0.00 0.00 36.38 35.80 1bnn s VAL 218 CO 0.06 -0.37 1.08 -0.94 -0.31 0.00 0.00 175.10 174.63 1bnn s SER 219 N -1.94 4.76 0.29 4.85 1.04 -1.16 -0.33 113.70 121.21 1bnn s SER 219 Ca -0.01 1.71 -0.02 0.00 0.48 0.00 0.00 55.95 58.11 1bnn s SER 219 Cb -0.08 -2.47 0.42 0.00 0.10 0.00 0.00 66.02 63.99 1bnn s SER 219 CO 0.01 -1.85 1.92 0.77 0.98 0.00 0.00 173.24 175.07 1bnn h SER 220 N -1.00 0.91 0.62 7.02 4.64 -1.94 -2.17 113.55 121.62 1bnn h SER 220 Ca -0.44 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 60.74 1bnn h SER 220 Cb 1.23 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1bnn h SER 220 CO 0.54 0.72 -0.35 1.05 -0.87 0.00 0.00 176.83 177.92 1bnn h GLU 221 N 1.03 0.00 -0.08 4.77 9.09 -1.95 0.19 114.58 127.63 1bnn h GLU 221 Ca 0.27 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.64 1bnn h GLU 221 Cb -0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1bnn h GLU 221 CO -0.05 0.35 -0.09 1.96 0.05 0.00 0.00 179.01 181.23 1bnn h GLN 222 N 0.00 0.21 0.00 1.06 4.20 -1.77 -2.48 115.11 116.33 1bnn h GLN 222 Ca -0.00 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1bnn h GLN 222 Cb 0.75 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1bnn h GLN 222 CO 0.05 0.65 -0.36 -0.24 -0.67 0.00 0.00 178.83 178.26 1bnn h VAL 223 N -0.22 0.91 -0.68 -0.54 3.04 -1.30 -2.75 116.25 114.71 1bnn h VAL 223 Ca 0.01 -1.42 0.02 0.00 -1.01 0.00 0.00 66.70 64.31 1bnn h VAL 223 Cb 0.62 1.85 -0.04 0.00 -2.01 0.00 0.00 31.29 31.71 1bnn h VAL 223 CO 0.02 0.35 0.43 0.25 -1.01 0.00 0.00 177.57 177.61 1bnn h LEU 224 N 0.00 0.72 -1.82 3.16 5.85 -0.49 -1.08 115.31 121.65 1bnn h LEU 224 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1bnn h LEU 224 Cb 0.82 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1bnn h LEU 224 CO 0.05 0.50 -0.10 0.11 -0.34 0.00 0.00 178.44 178.66 1bnn h LYS 225 N 0.85 0.00 -0.62 1.25 1.79 -1.13 -1.97 116.57 116.74 1bnn h LYS 225 Ca 0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1bnn h LYS 225 Cb -0.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1bnn h LYS 225 CO -0.09 0.10 0.34 0.74 -1.08 0.00 0.00 179.45 179.46 1bnn h PHE 226 N 0.00 0.85 0.00 -1.35 -1.00 -1.21 -2.78 116.94 111.45 1bnn h PHE 226 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1bnn h PHE 226 Cb 0.18 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1bnn h PHE 226 CO 0.00 0.61 0.00 0.54 -1.61 0.00 0.00 178.31 177.85 1bnn n ARG 227 N -4.56 0.09 -0.17 1.51 1.74 -0.75 -2.62 116.66 111.90 1bnn n ARG 227 Ca 0.04 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.55 1bnn n ARG 227 Cb 0.08 -1.68 0.21 0.00 -1.02 0.00 0.00 32.46 30.05 1bnn n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnn n LYS 228 N -1.86 1.86 -1.97 5.56 5.02 -1.05 -4.33 118.16 121.40 1bnn n LYS 228 Ca 0.02 -1.33 -0.29 0.00 -2.02 0.00 0.00 58.31 54.69 1bnn n LYS 228 Cb 0.18 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1bnn n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnn s LEU 229 N -1.12 2.95 -0.03 -0.35 1.02 -1.08 -4.92 118.68 115.15 1bnn s LEU 229 Ca 0.27 1.05 0.07 0.00 0.02 0.00 0.00 54.13 55.54 1bnn s LEU 229 Cb 0.14 -3.85 -0.02 0.00 0.02 0.00 0.00 46.19 42.49 1bnn s LEU 229 CO 0.19 -1.31 -0.24 0.20 0.02 0.00 0.00 176.35 175.22 1bnn s ASN 230 N -4.36 2.81 0.12 2.29 0.02 0.88 -0.36 114.94 116.35 1bnn s ASN 230 Ca 0.58 -0.44 -0.10 0.00 -1.02 0.00 0.00 52.86 51.87 1bnn s ASN 230 Cb -0.11 -0.47 -0.09 0.00 0.02 0.00 0.00 41.25 40.60 1bnn s ASN 230 CO 0.51 0.27 1.36 -0.26 0.02 0.00 0.00 177.10 178.99 1bnn h PHE 231 N 5.73 0.97 -4.29 2.20 0.04 -0.98 -3.32 116.94 117.29 1bnn h PHE 231 Ca -0.38 -0.41 -0.51 0.00 2.80 0.00 0.00 57.97 59.47 1bnn h PHE 231 Cb 1.14 -0.16 0.09 0.00 2.20 0.00 0.00 35.95 39.23 1bnn h PHE 231 CO 0.40 1.23 0.36 0.54 -0.60 0.00 0.00 178.31 180.24 1bnn s ASN 232 N -7.05 5.31 0.74 2.17 4.22 -1.26 -4.26 114.94 114.81 1bnn s ASN 232 Ca -0.09 1.72 -0.07 0.00 -2.14 0.00 0.00 52.86 52.28 1bnn s ASN 232 Cb 0.09 -2.51 0.08 0.00 1.28 0.00 0.00 41.25 40.20 1bnn s ASN 232 CO 0.89 -1.49 1.05 -0.83 -2.04 0.00 0.00 177.10 174.68 1bnn s GLY 233 N -3.41 1.70 0.31 0.45 0.00 -1.26 -1.15 107.32 103.95 1bnn s GLY 233 Ca 0.60 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1bnn s GLY 233 CO 0.50 -0.56 1.46 1.85 0.00 0.00 0.00 173.10 176.35 1bnn s GLU 234 N -5.32 4.21 0.00 2.90 2.12 -1.26 -2.67 118.70 118.68 1bnn s GLU 234 Ca 0.62 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.37 1bnn s GLU 234 Cb -0.09 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1bnn s GLU 234 CO 0.46 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1bnn n GLY 235 N 1.48 3.13 3.96 -1.50 0.00 -1.26 -5.04 105.19 105.97 1bnn n GLY 235 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1bnn n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bnn s GLU 236 N -0.63 2.52 0.27 1.61 2.02 -1.09 -5.02 118.70 118.38 1bnn s GLU 236 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 1bnn s GLU 236 Cb 0.00 -2.42 -0.11 0.00 0.10 0.00 0.00 34.13 31.70 1bnn s GLU 236 CO 0.00 -0.79 1.56 -2.14 0.02 0.00 0.00 175.26 173.91 1bnn s PRO 237 N -4.85 4.16 0.16 0.39 0.02 -1.26 -4.91 135.00 128.70 1bnn s PRO 237 Ca 0.57 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.79 1bnn s PRO 237 Cb -0.10 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 1bnn s PRO 237 CO 0.40 -0.58 1.32 -2.00 -0.33 0.00 0.00 177.00 175.81 1bnn s GLU 238 N -0.33 4.37 -0.20 5.54 2.12 -1.26 -4.75 118.70 124.20 1bnn s GLU 238 Ca 0.63 2.03 -0.04 0.00 0.36 0.00 0.00 54.97 57.96 1bnn s GLU 238 Cb -0.46 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 30.77 1bnn s GLU 238 CO 0.45 -0.31 0.07 -2.00 -0.54 0.00 0.00 175.26 172.93 1bnn s GLU 239 N 0.40 0.41 0.27 4.30 2.56 -1.26 -5.04 118.70 120.34 1bnn s GLU 239 Ca 0.59 -0.34 -0.30 0.00 0.00 0.00 0.00 54.97 54.92 1bnn s GLU 239 Cb -0.36 -1.94 -0.13 0.00 2.00 0.00 0.00 34.13 33.71 1bnn s GLU 239 CO 0.35 -0.70 1.42 1.28 -0.56 0.00 0.00 175.26 177.05 1bnn n LEU 240 N 5.14 3.47 -4.51 2.70 4.77 -1.26 -0.41 117.00 126.90 1bnn n LEU 240 Ca -0.08 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.64 1bnn n LEU 240 Cb 0.47 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1bnn n LEU 240 CO 0.11 -0.35 1.06 -0.32 -1.33 0.00 0.00 177.39 176.57 1bnn s MET 241 N -0.75 3.28 0.05 3.23 -2.45 0.52 -4.59 119.30 118.59 1bnn s MET 241 Ca 0.64 -0.76 -0.08 0.00 -1.25 0.00 0.00 55.69 54.24 1bnn s MET 241 Cb -0.60 -4.48 -0.00 0.00 1.25 0.00 0.00 34.83 31.00 1bnn s MET 241 CO 0.52 -2.01 0.17 0.14 1.05 0.00 0.00 175.02 174.89 1bnn s VAL 242 N 4.70 0.12 -1.37 10.11 -7.23 -1.26 -4.49 120.40 120.99 1bnn s VAL 242 Ca 0.32 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.41 1bnn s VAL 242 Cb -0.09 -0.99 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1bnn s VAL 242 CO 0.06 -0.55 1.06 0.47 -0.31 0.00 0.00 175.10 175.83 1bnn n ASP 243 N 0.57 -4.77 -2.37 4.85 8.00 -0.35 -4.87 116.55 117.61 1bnn n ASP 243 Ca -0.18 -0.64 -0.24 0.00 0.71 0.00 0.00 54.79 54.44 1bnn n ASP 243 Cb 0.59 -4.69 -0.07 0.00 -0.02 0.00 0.00 41.12 36.94 1bnn n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnn n ASN 244 N -3.00 6.29 -4.26 -2.24 6.94 -1.18 -4.88 115.26 112.94 1bnn n ASN 244 Ca -0.06 -3.09 -0.23 0.00 -0.02 0.00 0.00 54.58 51.18 1bnn n ASN 244 Cb 0.58 -1.25 -0.13 0.00 -2.36 0.00 0.00 39.78 36.63 1bnn n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bnn s TRP 245 N -1.33 1.69 -0.05 -2.53 1.48 -1.26 -4.70 118.94 112.24 1bnn s TRP 245 Ca 0.58 -0.41 -0.08 0.00 -1.06 0.00 0.00 56.10 55.13 1bnn s TRP 245 Cb 0.36 -0.94 -0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1bnn s TRP 245 CO -0.17 0.16 0.23 0.50 -4.06 0.00 0.00 176.95 173.60 1bnn s ARG 246 N -1.74 3.56 0.61 3.25 3.52 -1.26 -5.00 118.95 121.89 1bnn s ARG 246 Ca 0.05 -0.04 -0.17 0.00 -0.13 0.00 0.00 55.73 55.44 1bnn s ARG 246 Cb -0.10 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1bnn s ARG 246 CO 0.03 0.72 1.13 -2.14 -0.81 0.00 0.00 175.30 174.24 1bnn s PRO 247 N -1.32 2.99 0.35 5.12 0.02 -1.26 -4.70 135.00 136.20 1bnn s PRO 247 Ca 0.21 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 1bnn s PRO 247 Cb -0.13 -1.96 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 1bnn s PRO 247 CO 0.10 -1.13 1.33 0.00 -0.33 0.00 0.00 177.00 176.97 1bnn n ALA 248 N -1.93 1.49 -2.85 -1.55 0.00 -1.26 -4.46 120.51 109.96 1bnn n ALA 248 Ca 0.11 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.67 1bnn n ALA 248 Cb 0.51 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 1bnn n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bnn s GLN 249 N -1.94 3.03 0.29 0.00 -1.52 0.13 -4.95 119.66 114.71 1bnn s GLN 249 Ca 0.55 -0.91 -0.29 0.00 -1.95 0.00 0.00 55.36 52.76 1bnn s GLN 249 Cb -0.55 -2.67 -0.10 0.00 -0.22 0.00 0.00 33.01 29.47 1bnn s GLN 249 CO 0.62 0.44 1.34 -1.25 -0.25 0.00 0.00 175.29 176.20 1bnn s PRO 250 N -3.55 4.34 0.33 2.91 0.04 -1.26 -4.48 135.00 133.32 1bnn s PRO 250 Ca 0.33 2.22 0.05 0.00 0.04 0.00 0.00 61.00 63.64 1bnn s PRO 250 Cb -0.09 -3.10 0.57 0.00 0.04 0.00 0.00 34.50 31.92 1bnn s PRO 250 CO 0.25 -0.26 1.82 1.25 0.04 0.00 0.00 177.00 180.10 1bnn h LEU 251 N 4.04 0.40 0.00 -3.56 5.85 -1.94 -3.44 115.31 116.66 1bnn h LEU 251 Ca -0.48 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1bnn h LEU 251 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1bnn h LEU 251 CO 0.70 0.58 0.00 0.29 -0.34 0.00 0.00 178.44 179.67 1bnn n LYS 252 N -4.20 0.00 -1.35 1.25 5.02 -1.26 -3.09 118.16 114.53 1bnn n LYS 252 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1bnn n LYS 252 Cb 0.33 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.25 1bnn n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bnn n ASN 253 N 3.99 6.67 -4.06 4.39 5.15 -1.26 -4.88 115.26 125.26 1bnn n ASN 253 Ca 0.00 -2.81 -0.14 0.00 -0.60 0.00 0.00 54.58 51.04 1bnn n ASN 253 Cb 0.00 -1.38 -0.12 0.00 -0.53 0.00 0.00 39.78 37.75 1bnn n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bnn s ARG 254 N 0.11 0.54 -0.06 1.20 0.52 -1.18 -5.12 118.95 114.95 1bnn s ARG 254 Ca 0.63 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1bnn s ARG 254 Cb 0.29 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.42 1bnn s ARG 254 CO -0.09 0.06 -0.23 -0.65 0.02 0.00 0.00 175.30 174.41 1bnn s GLN 255 N -1.46 2.47 -0.19 3.54 -1.52 -1.26 -5.00 119.66 116.24 1bnn s GLN 255 Ca -0.08 -0.84 -0.15 0.00 -1.95 0.00 0.00 55.36 52.33 1bnn s GLN 255 Cb -0.09 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 1bnn s GLN 255 CO 0.00 0.32 0.36 0.42 -0.25 0.00 0.00 175.29 176.15 1bnn s ILE 256 N -0.04 5.24 -0.05 1.08 1.01 -1.26 -4.72 121.20 122.45 1bnn s ILE 256 Ca -0.06 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1bnn s ILE 256 Cb -0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1bnn s ILE 256 CO 0.04 0.29 0.09 -0.54 0.00 0.00 0.00 174.94 174.82 1bnn s LYS 257 N 1.05 3.18 0.08 2.79 1.02 -0.69 -0.70 119.74 126.47 1bnn s LYS 257 Ca 0.18 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1bnn s LYS 257 Cb -0.14 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1bnn s LYS 257 CO 0.07 0.70 -0.04 0.00 -0.92 0.00 0.00 175.35 175.15 1bnn s ALA 258 N -1.09 3.14 -2.63 5.17 0.00 0.14 -1.17 121.76 125.32 1bnn s ALA 258 Ca 0.19 -1.15 0.24 0.00 0.00 0.00 0.00 51.96 51.24 1bnn s ALA 258 Cb -0.12 -1.08 0.45 0.00 0.00 0.00 0.00 23.12 22.36 1bnn s ALA 258 CO 0.09 0.67 1.41 -1.13 0.00 0.00 0.00 175.76 176.79 1bnn n SER 259 N 0.76 2.90 -4.16 0.00 3.41 -0.64 -0.67 113.62 115.21 1bnn n SER 259 Ca -0.12 -1.92 -0.12 0.00 -0.26 0.00 0.00 58.87 56.45 1bnn n SER 259 Cb 0.52 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 1bnn n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bnn s PHE 260 N -1.75 1.14 -1.75 7.33 -0.71 -1.26 -4.91 117.98 116.07 1bnn s PHE 260 Ca 0.34 -1.36 0.14 0.00 -1.04 0.00 0.00 56.93 55.01 1bnn s PHE 260 Cb 0.21 -0.53 0.11 0.00 -1.21 0.00 0.00 43.02 41.60 1bnn s PHE 260 CO 0.31 -0.66 0.94 1.63 -1.34 0.00 0.00 175.22 176.10