#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwn s ALA 3 N 0.00 3.49 -0.32 0.00 0.00 -1.26 -4.98 121.76 118.69 1bwn s ALA 3 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.19 1bwn s ALA 3 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1bwn s ALA 3 CO 0.00 0.25 1.50 0.08 0.00 0.00 0.00 175.76 177.59 1bwn s VAL 4 N -2.18 3.84 0.01 0.00 1.01 -1.26 -4.45 120.40 117.37 1bwn s VAL 4 Ca 0.33 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 63.07 1bwn s VAL 4 Cb -0.07 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1bwn s VAL 4 CO 0.24 -0.50 0.94 0.40 0.00 0.00 0.00 175.10 176.18 1bwn h ILE 5 N 6.29 0.00 -1.72 2.22 2.04 0.11 -3.48 117.51 122.98 1bwn h ILE 5 Ca -0.30 -0.16 -0.60 0.00 1.00 0.00 0.00 64.86 64.80 1bwn h ILE 5 Cb 1.13 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.07 1bwn h ILE 5 CO 1.04 0.00 -0.53 -0.76 0.00 0.00 0.00 178.15 177.90 1bwn s LEU 6 N -7.07 2.18 -0.30 1.44 1.43 -1.05 -4.95 118.68 110.36 1bwn s LEU 6 Ca -0.08 -1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 51.28 1bwn s LEU 6 Cb 0.01 -0.42 0.15 0.00 0.03 0.00 0.00 46.19 45.96 1bwn s LEU 6 CO 0.24 -0.84 0.81 -0.70 0.23 0.00 0.00 176.35 176.08 1bwn s GLU 7 N -3.79 0.44 0.19 1.70 2.12 -1.26 -1.97 118.70 116.13 1bwn s GLU 7 Ca 0.19 1.06 -0.08 0.00 0.36 0.00 0.00 54.97 56.50 1bwn s GLU 7 Cb 0.03 0.64 -0.02 0.00 0.26 0.00 0.00 34.13 35.04 1bwn s GLU 7 CO 0.10 -0.19 0.29 -1.12 -0.54 0.00 0.00 175.26 173.80 1bwn s SER 8 N 2.71 0.04 -0.20 -1.70 0.01 -0.81 -4.96 113.70 108.79 1bwn s SER 8 Ca -0.02 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.15 1bwn s SER 8 Cb -0.10 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1bwn s SER 8 CO -0.18 -0.94 0.03 -0.63 0.41 0.00 0.00 173.24 171.93 1bwn s ILE 9 N -4.03 4.29 0.22 1.44 1.01 -1.26 0.21 121.20 123.08 1bwn s ILE 9 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1bwn s ILE 9 Cb 0.03 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1bwn s ILE 9 CO 0.05 0.42 0.03 -0.36 0.00 0.00 0.00 174.94 175.08 1bwn s PHE 10 N 0.92 1.45 -0.02 3.97 0.08 0.46 -4.82 117.98 120.02 1bwn s PHE 10 Ca 0.02 -1.03 -0.07 0.00 0.12 0.00 0.00 56.93 55.97 1bwn s PHE 10 Cb -0.14 -0.85 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1bwn s PHE 10 CO 0.02 -0.18 0.25 -1.17 -0.10 0.00 0.00 175.22 174.04 1bwn s LEU 11 N -3.27 4.39 -0.04 -0.37 2.96 -1.13 0.92 118.68 122.14 1bwn s LEU 11 Ca 0.30 0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 1bwn s LEU 11 Cb 0.07 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.25 1bwn s LEU 11 CO 0.09 0.30 0.18 -1.59 -1.32 0.00 0.00 176.35 174.00 1bwn s LYS 12 N -1.52 0.36 0.31 1.98 -2.85 -0.13 -0.93 119.74 116.96 1bwn s LYS 12 Ca 0.24 -0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 54.97 1bwn s LYS 12 Cb -0.13 0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 35.70 1bwn s LYS 12 CO 0.13 -0.07 0.82 0.50 0.10 0.00 0.00 175.35 176.83 1bwn s ARG 13 N -0.59 4.27 0.33 1.78 3.52 -0.63 -1.13 118.95 126.50 1bwn s ARG 13 Ca -0.07 0.98 -0.28 0.00 -0.13 0.00 0.00 55.73 56.23 1bwn s ARG 13 Cb -0.04 -2.63 -0.12 0.00 -1.56 0.00 0.00 34.95 30.60 1bwn s ARG 13 CO 0.01 0.23 1.31 -1.13 -0.81 0.00 0.00 175.30 174.91 1bwn n SER 14 N 0.18 2.77 0.08 -2.12 3.41 0.97 -4.66 113.62 114.26 1bwn n SER 14 Ca 0.02 1.20 0.13 0.00 -0.26 0.00 0.00 58.87 59.96 1bwn n SER 14 Cb 0.52 -1.48 0.40 0.00 -0.26 0.00 0.00 64.21 63.39 1bwn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bwn n GLN 15 N 0.74 0.23 -4.00 4.33 6.02 -1.26 -4.74 117.38 118.70 1bwn n GLN 15 Ca 0.05 0.16 -0.28 0.00 -0.01 0.00 0.00 57.00 56.93 1bwn n GLN 15 Cb 0.36 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1bwn n GLN 15 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bwn n GLN 16 N -2.12 -3.47 0.00 -1.09 6.02 -1.26 -4.83 117.38 110.62 1bwn n GLN 16 Ca 0.05 0.42 0.10 0.00 -0.01 0.00 0.00 57.00 57.56 1bwn n GLN 16 Cb 0.42 -4.73 0.56 0.00 1.02 0.00 0.00 30.24 27.51 1bwn n GLN 16 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1bwn n LYS 17 N -4.41 0.44 -4.95 -1.09 5.02 -1.26 -4.66 118.16 107.24 1bwn n LYS 17 Ca -0.21 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 1bwn n LYS 17 Cb 0.64 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.98 1bwn n LYS 17 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bwn s LYS 18 N -2.35 2.18 0.57 1.97 1.02 -1.26 -5.01 119.74 116.86 1bwn s LYS 18 Ca 0.24 -0.69 0.31 0.00 0.02 0.00 0.00 55.97 55.86 1bwn s LYS 18 Cb 0.14 -1.80 1.44 0.00 -0.52 0.00 0.00 37.83 37.10 1bwn s LYS 18 CO 0.29 0.22 1.81 0.87 -0.92 0.00 0.00 175.35 177.61 1bwn h LYS 19 N 6.44 0.00 0.07 1.68 1.57 -2.02 -0.34 116.57 123.97 1bwn h LYS 19 Ca -0.29 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.21 1bwn h LYS 19 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.52 1bwn h LYS 19 CO 0.47 0.00 -1.15 1.79 -0.57 0.00 0.00 179.45 179.99 1bwn h THR 20 N 0.00 1.30 -1.57 -0.16 1.35 -1.94 -3.46 112.91 108.42 1bwn h THR 20 Ca 0.39 -2.40 -0.69 0.00 -0.55 0.00 0.00 66.41 63.15 1bwn h THR 20 Cb 1.78 2.56 0.06 0.00 -1.73 0.00 0.00 68.15 70.83 1bwn h THR 20 CO -0.00 0.73 0.25 -1.20 -0.25 0.00 0.00 175.52 175.05 1bwn n SER 21 N -3.80 1.00 -4.90 5.36 7.64 -0.14 -4.96 113.62 113.82 1bwn n SER 21 Ca -0.12 1.14 -0.28 0.00 1.01 0.00 0.00 58.87 60.61 1bwn n SER 21 Cb 0.94 -1.12 0.08 0.00 -1.01 0.00 0.00 64.21 63.09 1bwn n SER 21 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwn s PRO 22 N 0.00 2.13 -0.39 1.43 0.04 -1.26 -4.88 135.00 132.07 1bwn s PRO 22 Ca 0.81 0.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.75 1bwn s PRO 22 Cb -0.99 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 31.55 1bwn s PRO 22 CO 0.51 -1.44 0.49 -1.17 0.04 0.00 0.00 177.00 175.43 1bwn s LEU 23 N -5.48 4.57 0.19 -3.56 2.96 -1.26 -4.76 118.68 111.36 1bwn s LEU 23 Ca 0.61 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.09 1bwn s LEU 23 Cb -0.11 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1bwn s LEU 23 CO 0.48 -0.56 0.29 0.54 -1.32 0.00 0.00 176.35 175.79 1bwn s ASN 24 N 1.82 0.04 -0.05 3.68 6.03 -1.26 -4.92 114.94 120.28 1bwn s ASN 24 Ca 0.16 -1.02 0.04 0.00 -1.03 0.00 0.00 52.86 51.01 1bwn s ASN 24 Cb -0.16 0.46 -0.02 0.00 -3.03 0.00 0.00 41.25 38.50 1bwn s ASN 24 CO 0.14 -0.94 -0.16 -0.36 -2.03 0.00 0.00 177.10 173.75 1bwn s PHE 25 N -4.03 2.65 0.03 1.54 0.40 -1.26 0.32 117.98 117.63 1bwn s PHE 25 Ca 0.24 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1bwn s PHE 25 Cb 0.03 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1bwn s PHE 25 CO 0.05 0.10 -0.08 0.15 0.70 0.00 0.00 175.22 176.15 1bwn s LYS 26 N -0.59 0.55 0.09 0.44 -0.14 -0.29 -4.90 119.74 114.90 1bwn s LYS 26 Ca 0.09 -0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 53.91 1bwn s LYS 26 Cb -0.11 -0.43 -0.07 0.00 -1.68 0.00 0.00 37.83 35.55 1bwn s LYS 26 CO 0.01 0.10 0.71 0.15 -0.76 0.00 0.00 175.35 175.56 1bwn s LYS 27 N -1.00 4.44 0.01 1.68 3.01 -1.26 -0.95 119.74 125.67 1bwn s LYS 27 Ca -0.04 1.00 -0.08 0.00 -1.01 0.00 0.00 55.97 55.83 1bwn s LYS 27 Cb -0.07 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.46 1bwn s LYS 27 CO 0.00 0.47 0.16 1.03 0.51 0.00 0.00 175.35 177.52 1bwn s ARG 28 N -0.69 0.52 -0.17 1.68 1.81 0.26 -4.63 118.95 117.74 1bwn s ARG 28 Ca 0.35 -0.41 -0.23 0.00 -1.72 0.00 0.00 55.73 53.71 1bwn s ARG 28 Cb -0.21 0.22 -0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1bwn s ARG 28 CO 0.23 -0.13 0.73 -1.17 -0.68 0.00 0.00 175.30 174.28 1bwn s LEU 29 N -1.46 4.18 -0.10 2.53 2.96 -0.46 -0.40 118.68 125.93 1bwn s LEU 29 Ca -0.14 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1bwn s LEU 29 Cb -0.07 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1bwn s LEU 29 CO 0.01 -0.31 0.00 -0.36 -1.32 0.00 0.00 176.35 174.37 1bwn s PHE 30 N 1.87 3.14 -0.00 5.38 0.40 0.13 -1.00 117.98 127.90 1bwn s PHE 30 Ca 0.34 0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.85 1bwn s PHE 30 Cb -0.16 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1bwn s PHE 30 CO 0.12 0.37 -0.21 -0.51 0.70 0.00 0.00 175.22 175.69 1bwn s LEU 31 N -0.59 2.07 -0.18 -0.37 1.43 -0.62 -1.92 118.68 118.51 1bwn s LEU 31 Ca 0.10 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1bwn s LEU 31 Cb -0.12 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1bwn s LEU 31 CO 0.02 0.24 -0.15 -0.22 0.23 0.00 0.00 176.35 176.47 1bwn s LEU 32 N -0.63 2.08 0.00 1.79 2.96 -0.83 -1.69 118.68 122.36 1bwn s LEU 32 Ca 0.08 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1bwn s LEU 32 Cb -0.08 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.31 1bwn s LEU 32 CO -0.00 -0.07 0.02 0.35 -1.32 0.00 0.00 176.35 175.33 1bwn n THR 33 N 4.68 0.00 0.10 3.68 -2.24 0.06 0.15 114.28 120.71 1bwn n THR 33 Ca -0.17 -0.96 -0.05 0.00 -2.27 0.00 0.00 64.05 60.60 1bwn n THR 33 Cb 0.49 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1bwn n THR 33 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bwn h VAL 34 N 1.02 1.54 0.00 2.28 2.07 -1.94 -3.31 116.25 117.92 1bwn h VAL 34 Ca -0.17 -2.65 -0.31 0.00 0.82 0.00 0.00 66.70 64.40 1bwn h VAL 34 Cb 0.52 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1bwn h VAL 34 CO 0.27 0.76 -1.86 1.41 0.02 0.00 0.00 177.57 178.18 1bwn n HIS 35 N -3.63 0.80 -3.99 1.57 8.25 -1.26 -4.57 115.22 112.39 1bwn n HIS 35 Ca -0.02 0.29 -0.09 0.00 -0.26 0.00 0.00 57.72 57.64 1bwn n HIS 35 Cb 0.77 -1.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.63 1bwn n HIS 35 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bwn s LYS 36 N -2.57 0.47 -0.34 -0.41 -0.14 -1.25 0.20 119.74 115.70 1bwn s LYS 36 Ca -0.06 -0.78 -0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1bwn s LYS 36 Cb 0.08 0.17 0.06 0.00 -1.68 0.00 0.00 37.83 36.46 1bwn s LYS 36 CO 0.82 -0.09 0.08 -1.17 -0.76 0.00 0.00 175.35 174.23 1bwn s LEU 37 N -1.99 4.37 0.26 3.17 2.96 -0.27 -0.76 118.68 126.42 1bwn s LEU 37 Ca -0.07 -1.45 0.09 0.00 -0.22 0.00 0.00 54.13 52.48 1bwn s LEU 37 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1bwn s LEU 37 CO -0.04 -0.35 0.01 -0.44 -1.32 0.00 0.00 176.35 174.21 1bwn s SER 38 N 1.45 4.65 0.02 3.68 0.01 -0.68 -1.13 113.70 121.69 1bwn s SER 38 Ca -0.01 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 1bwn s SER 38 Cb -0.21 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 1bwn s SER 38 CO -0.01 0.00 0.02 -0.72 0.41 0.00 0.00 173.24 172.94 1bwn s TYR 39 N -2.28 0.24 0.12 2.43 -0.85 0.46 -1.58 117.35 115.89 1bwn s TYR 39 Ca 0.31 -0.52 -0.01 0.00 -0.52 0.00 0.00 57.07 56.33 1bwn s TYR 39 Cb -0.07 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 1bwn s TYR 39 CO 0.20 -0.26 0.05 0.71 -1.52 0.00 0.00 175.55 174.74 1bwn s TYR 40 N -1.90 0.78 0.31 -3.49 1.51 -0.17 -0.54 117.35 113.85 1bwn s TYR 40 Ca -0.11 -1.19 -0.29 0.00 -1.01 0.00 0.00 57.07 54.47 1bwn s TYR 40 Cb -0.06 -0.45 -0.10 0.00 -0.11 0.00 0.00 41.96 41.24 1bwn s TYR 40 CO -0.02 -0.50 1.29 0.21 -1.11 0.00 0.00 175.55 175.42 1bwn s LYS 41 N -4.02 4.39 -0.27 -0.62 2.20 0.32 -1.35 119.74 120.39 1bwn s LYS 41 Ca 0.21 2.16 -0.12 0.00 -0.36 0.00 0.00 55.97 57.86 1bwn s LYS 41 Cb 0.07 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1bwn s LYS 41 CO -0.00 -0.15 0.22 -0.47 -0.36 0.00 0.00 175.35 174.58 1bwn s TYR 42 N -1.00 3.25 -0.88 4.03 5.04 -1.26 0.12 117.35 126.66 1bwn s TYR 42 Ca 0.49 0.21 -0.20 0.00 -2.44 0.00 0.00 57.07 55.14 1bwn s TYR 42 Cb -0.39 -2.39 0.11 0.00 0.35 0.00 0.00 41.96 39.64 1bwn s TYR 42 CO 0.50 -0.11 1.13 0.34 -1.34 0.00 0.00 175.55 176.07 1bwn s ASP 43 N 1.54 6.51 0.07 4.32 -1.08 0.45 -4.83 116.67 123.66 1bwn s ASP 43 Ca 0.09 -1.73 -0.26 0.00 -0.52 0.00 0.00 52.55 50.13 1bwn s ASP 43 Cb -0.15 -2.42 -0.17 0.00 -1.46 0.00 0.00 42.92 38.72 1bwn s ASP 43 CO 0.09 -1.21 1.64 0.15 0.52 0.00 0.00 175.17 176.36 1bwn h PHE 44 N 9.12 -0.24 0.12 -5.34 3.57 -1.95 0.55 116.94 122.77 1bwn h PHE 44 Ca 0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1bwn h PHE 44 Cb 1.03 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1bwn h PHE 44 CO 1.13 -0.10 -0.37 0.93 -2.23 0.00 0.00 178.31 177.68 1bwn h GLU 45 N -0.32 -0.53 0.00 1.11 4.39 -1.95 -0.82 114.58 116.45 1bwn h GLU 45 Ca -0.03 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1bwn h GLU 45 Cb 0.25 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1bwn h GLU 45 CO 0.04 -0.35 0.00 0.54 -1.16 0.00 0.00 179.01 178.08 1bwn n ARG 46 N -4.55 0.06 -3.53 2.33 1.74 -1.22 -4.84 116.66 106.66 1bwn n ARG 46 Ca -0.06 0.41 -0.20 0.00 -0.77 0.00 0.00 57.85 57.23 1bwn n ARG 46 Cb 0.29 -1.65 0.08 0.00 -1.02 0.00 0.00 32.46 30.16 1bwn n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bwn n GLY 47 N -0.59 -0.42 3.59 -0.13 0.00 0.13 -4.97 105.19 102.80 1bwn n GLY 47 Ca 0.02 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1bwn n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bwn s ARG 48 N -5.77 1.78 0.27 1.61 1.70 0.15 -5.00 118.95 113.69 1bwn s ARG 48 Ca 0.22 -1.46 -0.30 0.00 -0.47 0.00 0.00 55.73 53.72 1bwn s ARG 48 Cb -0.10 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.66 1bwn s ARG 48 CO 0.74 -0.76 1.50 0.50 -1.08 0.00 0.00 175.30 176.20 1bwn s ARG 49 N -3.42 4.21 0.00 3.89 3.52 -1.26 0.17 118.95 126.06 1bwn s ARG 49 Ca 0.24 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 1bwn s ARG 49 Cb -0.01 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1bwn s ARG 49 CO 0.13 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1bwn n GLY 50 N 2.14 2.57 3.76 8.12 0.00 0.33 -4.66 105.19 117.44 1bwn n GLY 50 Ca 0.07 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1bwn n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwn s SER 51 N -0.59 6.86 0.14 1.61 1.04 -1.26 -4.58 113.70 116.92 1bwn s SER 51 Ca 0.00 2.55 -0.31 0.00 0.48 0.00 0.00 55.95 58.67 1bwn s SER 51 Cb 0.00 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.39 1bwn s SER 51 CO 0.00 -0.50 1.61 -0.75 0.98 0.00 0.00 173.24 174.58 1bwn s LYS 52 N -1.10 4.20 -0.11 4.02 2.20 -1.26 -0.52 119.74 127.17 1bwn s LYS 52 Ca 0.52 2.38 0.11 0.00 -0.36 0.00 0.00 55.97 58.62 1bwn s LYS 52 Cb -0.38 -3.26 -0.16 0.00 -1.51 0.00 0.00 37.83 32.52 1bwn s LYS 52 CO 0.46 -0.65 0.07 1.63 -0.36 0.00 0.00 175.35 176.50 1bwn n LYS 53 N 4.40 1.82 -3.68 4.03 4.76 0.30 -4.88 118.16 124.91 1bwn n LYS 53 Ca 0.15 -0.02 -0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1bwn n LYS 53 Cb 0.39 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.25 1bwn n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1bwn s GLY 54 N -4.35 -0.31 0.12 0.72 0.00 -0.95 -4.98 107.32 97.57 1bwn s GLY 54 Ca -0.06 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.73 1bwn s GLY 54 CO 0.50 0.09 0.62 -0.45 0.00 0.00 0.00 173.10 173.86 1bwn s SER 55 N -2.81 -0.58 -0.15 1.64 0.15 -1.26 -0.40 113.70 110.29 1bwn s SER 55 Ca 0.09 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 1bwn s SER 55 Cb -0.02 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 1bwn s SER 55 CO -0.01 -0.90 0.33 -0.63 1.20 0.00 0.00 173.24 173.23 1bwn s ILE 56 N -3.30 -0.39 0.07 6.45 1.01 -0.29 -4.97 121.20 119.78 1bwn s ILE 56 Ca -0.01 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 1bwn s ILE 56 Cb -0.01 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 1bwn s ILE 56 CO -0.09 0.09 1.43 -1.81 0.00 0.00 0.00 174.94 174.56 1bwn s ASP 57 N 2.21 6.80 0.28 3.58 1.01 -1.26 -1.11 116.67 128.17 1bwn s ASP 57 Ca -0.02 2.28 0.02 0.00 0.71 0.00 0.00 52.55 55.53 1bwn s ASP 57 Cb -0.11 -2.57 0.61 0.00 1.01 0.00 0.00 42.92 41.86 1bwn s ASP 57 CO -0.10 -0.71 1.76 0.58 0.21 0.00 0.00 175.17 176.91 1bwn h VAL 58 N 4.56 0.71 0.00 -1.27 2.07 0.21 -1.92 116.25 120.61 1bwn h VAL 58 Ca -0.41 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1bwn h VAL 58 Cb 1.20 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1bwn h VAL 58 CO 0.89 0.12 0.00 -1.84 0.02 0.00 0.00 177.57 176.76 1bwn n GLU 59 N -4.84 0.16 0.00 1.57 0.28 -1.26 -1.98 120.64 114.56 1bwn n GLU 59 Ca 0.19 0.36 0.14 0.00 -0.16 0.00 0.00 57.16 57.70 1bwn n GLU 59 Cb 0.49 -1.79 0.58 0.00 1.43 0.00 0.00 31.44 32.16 1bwn n GLU 59 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bwn n LYS 60 N -2.08 1.23 -2.86 3.44 5.02 -0.72 -4.76 118.16 117.42 1bwn n LYS 60 Ca 0.03 -0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 55.32 1bwn n LYS 60 Cb 0.24 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1bwn n LYS 60 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bwn s ILE 61 N -2.18 4.92 -0.05 -0.18 1.01 -0.84 -2.88 121.20 121.01 1bwn s ILE 61 Ca 0.36 1.80 0.15 0.00 0.00 0.00 0.00 60.65 62.95 1bwn s ILE 61 Cb 0.21 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 1bwn s ILE 61 CO 0.40 0.21 0.28 0.35 0.00 0.00 0.00 174.94 176.18 1bwn n THR 62 N 3.76 0.20 -3.63 2.92 -2.24 0.98 -4.65 114.28 111.63 1bwn n THR 62 Ca 0.03 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 1bwn n THR 62 Cb 0.51 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1bwn n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwn s VAL 64 N 1.86 1.79 0.32 0.00 1.01 -1.26 0.12 120.40 124.24 1bwn s VAL 64 Ca -0.09 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1bwn s VAL 64 Cb -0.06 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1bwn s VAL 64 CO -0.19 0.50 0.65 -1.61 0.00 0.00 0.00 175.10 174.45 1bwn s GLU 65 N 1.24 1.91 0.86 2.72 0.41 -0.46 -4.94 118.70 120.43 1bwn s GLU 65 Ca 0.01 -1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 53.12 1bwn s GLU 65 Cb -0.14 0.56 0.11 0.00 -1.78 0.00 0.00 34.13 32.88 1bwn s GLU 65 CO -0.09 -0.85 1.14 0.95 -0.49 0.00 0.00 175.26 175.92 1bwn s THR 66 N -3.25 2.22 0.11 3.63 -4.23 -1.26 0.20 115.64 113.06 1bwn s THR 66 Ca 0.18 0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1bwn s THR 66 Cb -0.04 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1bwn s THR 66 CO 0.11 -0.09 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.33 1bwn s VAL 67 N -3.35 0.81 -0.24 2.29 1.01 -1.13 -4.63 120.40 115.16 1bwn s VAL 67 Ca 0.63 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1bwn s VAL 67 Cb -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1bwn s VAL 67 CO 0.52 -0.78 1.18 -0.69 0.00 0.00 0.00 175.10 175.33 1bwn s VAL 68 N -3.30 4.39 0.24 2.92 1.01 0.28 -4.73 120.40 121.21 1bwn s VAL 68 Ca 0.11 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1bwn s VAL 68 Cb 0.03 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 1bwn s VAL 68 CO -0.03 -0.29 0.95 -2.65 0.00 0.00 0.00 175.10 173.08 1bwn n PRO 69 N 6.76 1.02 -1.62 2.72 -0.02 -1.26 -4.52 135.00 138.08 1bwn n PRO 69 Ca 0.13 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1bwn n PRO 69 Cb 0.46 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1bwn n PRO 69 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bwn n GLU 70 N 1.02 1.42 0.13 -0.52 1.02 -1.26 -4.95 120.64 117.50 1bwn n GLU 70 Ca 0.13 0.51 -0.14 0.00 -0.02 0.00 0.00 57.16 57.64 1bwn n GLU 70 Cb 0.28 -2.06 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 1bwn n GLU 70 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1bwn h LYS 71 N 1.65 -0.25 -1.65 3.49 1.79 -2.02 -3.34 116.57 116.24 1bwn h LYS 71 Ca -0.44 0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.53 1bwn h LYS 71 Cb 1.33 0.06 -0.41 0.00 -1.58 0.00 0.00 32.23 31.63 1bwn h LYS 71 CO 0.58 -0.11 -0.92 0.09 -1.08 0.00 0.00 179.45 178.01 1bwn n ASN 72 N -5.17 3.12 -2.64 0.86 4.13 -1.26 -5.08 115.26 109.22 1bwn n ASN 72 Ca -0.09 -3.32 -0.28 0.00 1.68 0.00 0.00 54.58 52.56 1bwn n ASN 72 Cb 0.15 -0.53 -0.02 0.00 -1.54 0.00 0.00 39.78 37.85 1bwn n ASN 72 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1bwn n PRO 73 N -0.18 0.00 -1.78 3.52 -0.04 -1.26 -4.84 135.00 130.42 1bwn n PRO 73 Ca 0.27 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.42 1bwn n PRO 73 Cb 0.64 -0.60 0.04 0.00 -0.04 0.00 0.00 33.50 33.53 1bwn n PRO 73 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1bwn s PRO 74 N -0.60 3.12 0.05 0.54 0.04 -1.26 -4.65 135.00 132.23 1bwn s PRO 74 Ca 0.38 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 1bwn s PRO 74 Cb -0.53 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1bwn s PRO 74 CO 0.35 -0.91 0.54 -0.35 0.04 0.00 0.00 177.00 176.67 1bwn n PRO 75 N -2.97 -0.15 -0.42 0.56 -0.04 -1.26 0.26 135.00 130.98 1bwn n PRO 75 Ca 0.07 0.53 0.37 0.00 -0.04 0.00 0.00 63.50 64.43 1bwn n PRO 75 Cb 0.55 -0.78 0.71 0.00 -0.04 0.00 0.00 33.50 33.94 1bwn n PRO 75 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1bwn h GLU 76 N 0.00 0.08 -0.11 0.54 4.11 -1.91 1.14 114.58 118.44 1bwn h GLU 76 Ca 0.05 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1bwn h GLU 76 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1bwn h GLU 76 CO -0.32 0.05 -0.17 0.54 0.07 0.00 0.00 179.01 179.18 1bwn n ARG 77 N -4.30 1.74 -2.85 1.06 1.74 0.74 -1.12 116.66 113.66 1bwn n ARG 77 Ca 0.32 -2.97 -0.20 0.00 -0.77 0.00 0.00 57.85 54.22 1bwn n ARG 77 Cb 1.38 -1.65 0.06 0.00 -1.02 0.00 0.00 32.46 31.22 1bwn n ARG 77 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1bwn s GLN 78 N -3.06 2.24 -0.14 5.56 -0.21 0.39 -4.42 119.66 120.02 1bwn s GLN 78 Ca 0.38 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.34 1bwn s GLN 78 Cb 0.34 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1bwn s GLN 78 CO 0.00 -0.91 0.21 0.42 -2.12 0.00 0.00 175.29 172.89 1bwn s ILE 79 N -2.76 5.37 -0.09 1.08 1.01 -1.26 -4.66 121.20 119.89 1bwn s ILE 79 Ca 0.61 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 61.58 1bwn s ILE 79 Cb -0.07 -3.53 -0.26 0.00 0.01 0.00 0.00 42.46 38.62 1bwn s ILE 79 CO 0.39 0.49 3.54 -0.62 0.00 0.00 0.00 174.94 178.74 1bwn n GLU 88 N 2.92 2.06 0.00 2.79 1.02 -1.26 -5.15 120.64 123.03 1bwn n GLU 88 Ca -0.16 -1.05 0.01 0.00 -0.02 0.00 0.00 57.16 55.95 1bwn n GLU 88 Cb 0.53 -2.04 0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1bwn n GLU 88 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1bwn n MET 89 N 2.57 0.32 -0.01 3.49 0.00 -1.26 -3.76 117.12 118.47 1bwn n MET 89 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 58.05 1bwn n MET 89 Cb 0.87 -1.15 -0.06 0.00 0.00 0.00 0.00 33.22 32.88 1bwn n MET 89 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1bwn h GLU 90 N 0.00 -0.33 -1.41 2.12 4.81 -2.04 0.35 114.58 118.08 1bwn h GLU 90 Ca 0.00 0.02 0.45 0.00 -0.13 0.00 0.00 59.36 59.70 1bwn h GLU 90 Cb 0.00 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.35 1bwn h GLU 90 CO 0.00 -0.22 0.96 0.94 -0.73 0.00 0.00 179.01 179.96 1bwn n GLN 91 N -4.29 -0.02 -0.12 1.92 7.27 -1.25 -0.43 117.38 120.46 1bwn n GLN 91 Ca -0.04 1.04 -0.15 0.00 0.07 0.00 0.00 57.00 57.92 1bwn n GLN 91 Cb 0.23 -2.17 -0.13 0.00 2.41 0.00 0.00 30.24 30.57 1bwn n GLN 91 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1bwn n ILE 92 N -4.16 1.43 -0.22 1.69 5.41 -0.36 -4.32 119.36 118.83 1bwn n ILE 92 Ca 0.37 -0.64 -0.07 0.00 1.00 0.00 0.00 62.75 63.41 1bwn n ILE 92 Cb 1.53 -1.12 0.03 0.00 -0.71 0.00 0.00 39.64 39.37 1bwn n ILE 92 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1bwn h SER 93 N 0.00 0.81 0.00 4.38 4.64 0.24 -0.47 113.55 123.16 1bwn h SER 93 Ca -0.56 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1bwn h SER 93 Cb 1.98 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1bwn h SER 93 CO -0.05 0.72 0.13 -0.29 -0.87 0.00 0.00 176.83 176.46 1bwn h ILE 94 N 0.85 0.00 0.00 0.95 2.10 -1.16 0.49 117.51 120.75 1bwn h ILE 94 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.15 1bwn h ILE 94 Cb 0.12 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1bwn h ILE 94 CO -0.03 0.00 -0.04 2.30 -1.08 0.00 0.00 178.15 179.30 1bwn n ILE 95 N -2.94 1.40 0.00 2.19 -5.35 -0.46 -4.73 119.36 109.48 1bwn n ILE 95 Ca -0.03 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 1bwn n ILE 95 Cb 0.19 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 1bwn n ILE 95 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1bwn n GLU 96 N -0.99 2.55 -4.19 6.28 1.02 -0.13 -5.05 120.64 120.12 1bwn n GLU 96 Ca 0.09 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 1bwn n GLU 96 Cb 0.52 -0.82 -0.14 0.00 -0.02 0.00 0.00 31.44 30.98 1bwn n GLU 96 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bwn s ARG 97 N -1.63 3.39 -0.25 3.49 0.52 0.16 -4.79 118.95 119.83 1bwn s ARG 97 Ca 0.00 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1bwn s ARG 97 Cb 0.00 -2.88 0.08 0.00 0.52 0.00 0.00 34.95 32.68 1bwn s ARG 97 CO 0.00 -0.05 0.09 -0.06 0.02 0.00 0.00 175.30 175.30 1bwn s PHE 98 N 1.06 0.86 0.00 -0.53 0.40 -0.27 -3.94 117.98 115.56 1bwn s PHE 98 Ca 0.00 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 1bwn s PHE 98 Cb -0.15 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1bwn s PHE 98 CO -0.01 -0.74 0.67 -0.35 0.70 0.00 0.00 175.22 175.49 1bwn n PRO 99 N 5.09 0.48 -3.68 0.24 -0.05 0.10 -4.15 135.00 133.03 1bwn n PRO 99 Ca -0.06 -0.85 -0.38 0.00 -0.05 0.00 0.00 63.50 62.16 1bwn n PRO 99 Cb 0.44 -0.98 -0.10 0.00 -0.05 0.00 0.00 33.50 32.81 1bwn n PRO 99 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 1bwn s TYR 100 N -0.36 3.50 0.16 0.54 2.02 0.06 -4.89 117.35 118.38 1bwn s TYR 100 Ca 0.00 -2.41 -0.26 0.00 -0.37 0.00 0.00 57.07 54.03 1bwn s TYR 100 Cb 0.00 -3.30 -0.08 0.00 -0.40 0.00 0.00 41.96 38.18 1bwn s TYR 100 CO 0.00 -0.93 0.79 -1.25 -1.57 0.00 0.00 175.55 172.59 1bwn s PRO 101 N 0.64 4.59 0.31 -1.71 0.04 -1.26 -0.29 135.00 137.32 1bwn s PRO 101 Ca 0.12 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1bwn s PRO 101 Cb -0.22 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 1bwn s PRO 101 CO -0.03 0.55 0.06 -0.59 0.04 0.00 0.00 177.00 177.03 1bwn s PHE 102 N -1.08 1.87 0.00 0.56 -0.71 0.04 -2.86 117.98 115.81 1bwn s PHE 102 Ca 0.36 -1.00 0.04 0.00 -1.04 0.00 0.00 56.93 55.29 1bwn s PHE 102 Cb -0.23 -1.20 -0.01 0.00 -1.21 0.00 0.00 43.02 40.37 1bwn s PHE 102 CO 0.27 -0.06 -0.12 1.14 -1.34 0.00 0.00 175.22 175.11 1bwn s GLN 103 N -3.92 0.93 -0.28 1.99 -2.07 0.55 -2.08 119.66 114.79 1bwn s GLN 103 Ca 0.37 -0.50 0.03 0.00 -1.82 0.00 0.00 55.36 53.43 1bwn s GLN 103 Cb 0.08 -0.91 0.07 0.00 -1.09 0.00 0.00 33.01 31.17 1bwn s GLN 103 CO 0.15 0.24 -0.08 0.08 -1.32 0.00 0.00 175.29 174.36 1bwn s VAL 104 N -0.43 2.23 -0.22 3.63 1.01 0.26 -1.36 120.40 125.52 1bwn s VAL 104 Ca 0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.16 1bwn s VAL 104 Cb -0.05 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1bwn s VAL 104 CO -0.00 -0.13 0.15 -0.69 0.00 0.00 0.00 175.10 174.43 1bwn s VAL 105 N 1.07 5.37 0.22 2.92 1.01 0.31 0.29 120.40 131.60 1bwn s VAL 105 Ca -0.06 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1bwn s VAL 105 Cb -0.20 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1bwn s VAL 105 CO -0.05 0.38 0.22 0.00 0.00 0.00 0.00 175.10 175.65 1bwn n TYR 106 N 4.02 -0.69 -0.35 5.22 4.11 -0.82 -0.02 117.16 128.63 1bwn n TYR 106 Ca -0.15 -1.77 0.01 0.00 -0.00 0.00 0.00 57.90 55.98 1bwn n TYR 106 Cb 0.52 0.24 0.06 0.00 -0.00 0.00 0.00 39.34 40.16 1bwn n TYR 106 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1bwn n ASP 107 N -2.04 -0.54 0.23 9.48 5.68 -1.14 -0.49 116.55 127.72 1bwn n ASP 107 Ca 0.04 1.62 0.09 0.00 -0.50 0.00 0.00 54.79 56.04 1bwn n ASP 107 Cb 0.40 -0.40 0.55 0.00 -1.14 0.00 0.00 41.12 40.52 1bwn n ASP 107 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1bwn h GLU 108 N 0.00 0.00 0.00 0.11 5.08 -1.97 -3.49 114.58 114.31 1bwn h GLU 108 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1bwn h GLU 108 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1bwn h GLU 108 CO -0.93 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 177.71 1bwn n GLY 109 N -0.41 0.88 3.69 -3.84 0.00 0.35 -4.74 105.19 101.12 1bwn n GLY 109 Ca -0.01 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 1bwn n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bwn s PRO 110 N -1.61 4.33 -0.23 1.61 0.04 -1.26 -1.95 135.00 135.93 1bwn s PRO 110 Ca 0.00 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 1bwn s PRO 110 Cb 0.00 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1bwn s PRO 110 CO 0.00 -0.15 0.24 -1.17 0.04 0.00 0.00 177.00 175.96 1bwn s LEU 111 N 1.55 4.12 -0.41 -3.56 2.96 0.15 -4.89 118.68 118.59 1bwn s LEU 111 Ca 0.35 0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 54.30 1bwn s LEU 111 Cb -0.17 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1bwn s LEU 111 CO 0.14 0.01 0.55 -0.31 -1.32 0.00 0.00 176.35 175.42 1bwn s TYR 112 N 1.22 3.12 -0.06 5.38 2.02 -1.26 -0.57 117.35 127.20 1bwn s TYR 112 Ca 0.11 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1bwn s TYR 112 Cb -0.14 -3.11 -0.03 0.00 -0.40 0.00 0.00 41.96 38.28 1bwn s TYR 112 CO 0.06 -0.74 -0.11 0.08 -1.57 0.00 0.00 175.55 173.27 1bwn s VAL 113 N 2.51 3.36 -0.11 0.71 1.01 -0.88 -1.60 120.40 125.40 1bwn s VAL 113 Ca 0.18 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1bwn s VAL 113 Cb -0.15 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1bwn s VAL 113 CO 0.16 0.59 -0.20 -0.36 0.00 0.00 0.00 175.10 175.29 1bwn s PHE 114 N -0.74 2.65 0.04 5.22 0.40 -0.10 -0.78 117.98 124.67 1bwn s PHE 114 Ca 0.11 -0.86 -0.05 0.00 -0.60 0.00 0.00 56.93 55.53 1bwn s PHE 114 Cb -0.11 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 1bwn s PHE 114 CO 0.01 -0.31 0.28 0.45 0.70 0.00 0.00 175.22 176.35 1bwn s SER 115 N 0.28 6.48 0.23 1.36 0.15 0.60 -2.84 113.70 119.97 1bwn s SER 115 Ca -0.14 0.53 0.25 0.00 0.70 0.00 0.00 55.95 57.29 1bwn s SER 115 Cb -0.17 -2.07 0.63 0.00 -1.71 0.00 0.00 66.02 62.70 1bwn s SER 115 CO 0.07 0.20 1.65 1.55 1.20 0.00 0.00 173.24 177.91 1bwn h PRO 116 N 3.61 0.00 -3.76 5.44 0.13 -1.86 0.35 132.00 135.90 1bwn h PRO 116 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1bwn h PRO 116 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1bwn h PRO 116 CO 0.69 0.00 -0.49 0.95 -0.23 0.00 0.00 178.00 178.92 1bwn s THR 117 N -3.14 0.13 0.11 1.56 -4.23 -1.26 -4.56 115.64 104.25 1bwn s THR 117 Ca 0.09 -1.08 -0.20 0.00 -1.18 0.00 0.00 61.69 59.32 1bwn s THR 117 Cb 0.11 -0.95 -0.08 0.00 1.34 0.00 0.00 72.50 72.92 1bwn s THR 117 CO 0.64 -0.59 1.72 -0.08 -0.54 0.00 0.00 174.62 175.76 1bwn h GLU 118 N 3.53 0.27 -0.51 3.99 4.57 -1.95 0.18 114.58 124.65 1bwn h GLU 118 Ca -0.33 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 57.88 1bwn h GLU 118 Cb 1.19 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 1bwn h GLU 118 CO 0.51 0.24 0.24 1.49 -1.18 0.00 0.00 179.01 180.30 1bwn h GLU 119 N 0.22 0.44 -0.31 1.92 4.81 -1.98 0.44 114.58 120.13 1bwn h GLU 119 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1bwn h GLU 119 Cb 0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1bwn h GLU 119 CO -0.01 0.29 0.13 1.25 -0.73 0.00 0.00 179.01 179.94 1bwn h LEU 120 N 0.46 0.42 0.11 1.64 6.46 -1.86 0.47 115.31 123.00 1bwn h LEU 120 Ca 0.23 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1bwn h LEU 120 Cb 0.18 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1bwn h LEU 120 CO -0.19 0.46 -0.37 -0.09 -0.62 0.00 0.00 178.44 177.63 1bwn h ARG 121 N 0.35 -0.57 -0.71 1.25 2.43 0.10 -0.22 114.38 117.02 1bwn h ARG 121 Ca 0.10 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1bwn h ARG 121 Cb 0.17 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1bwn h ARG 121 CO -0.01 -0.38 0.47 -0.22 -1.51 0.00 0.00 179.97 178.32 1bwn h LYS 122 N -0.59 0.82 -0.53 0.20 3.64 0.22 0.70 116.57 121.03 1bwn h LYS 122 Ca 0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1bwn h LYS 122 Cb 0.63 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1bwn h LYS 122 CO -0.23 0.54 0.27 -0.09 -2.27 0.00 0.00 179.45 177.67 1bwn h ARG 123 N 0.85 0.75 0.32 1.90 2.43 0.67 -2.87 114.38 118.43 1bwn h ARG 123 Ca 0.28 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1bwn h ARG 123 Cb 0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1bwn h ARG 123 CO -0.08 0.61 -0.15 -1.49 -1.51 0.00 0.00 179.97 177.34 1bwn h TRP 124 N 0.70 -0.40 -0.90 2.20 4.06 0.87 -2.90 115.95 119.59 1bwn h TRP 124 Ca 0.18 -0.01 0.24 0.00 2.06 0.00 0.00 58.89 61.36 1bwn h TRP 124 Cb 0.09 0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.25 1bwn h TRP 124 CO -0.01 -0.07 0.32 0.82 -3.56 0.00 0.00 178.44 175.95 1bwn h ILE 125 N -0.79 0.36 -0.45 1.49 2.04 -1.23 -0.77 117.51 118.15 1bwn h ILE 125 Ca -0.04 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1bwn h ILE 125 Cb 0.51 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1bwn h ILE 125 CO 0.07 0.05 0.11 -0.74 0.00 0.00 0.00 178.15 177.64 1bwn h HIS 126 N 0.28 0.75 0.00 1.37 2.76 -1.46 0.71 115.15 119.56 1bwn h HIS 126 Ca 0.57 -0.09 -0.09 0.00 -2.20 0.00 0.00 60.37 58.56 1bwn h HIS 126 Cb 1.16 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1bwn h HIS 126 CO -0.20 0.69 -0.45 1.96 -1.30 0.00 0.00 177.93 178.64 1bwn h GLN 127 N 0.59 0.00 0.59 5.26 1.08 -1.24 -1.91 115.11 119.48 1bwn h GLN 127 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1bwn h GLN 127 Cb 0.32 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1bwn h GLN 127 CO 0.00 0.45 -0.28 -0.07 -0.95 0.00 0.00 178.83 177.98 1bwn h LEU 128 N 0.00 -0.67 -0.83 1.46 3.38 -0.10 -0.89 115.31 117.66 1bwn h LEU 128 Ca -0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1bwn h LEU 128 Cb 0.94 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 1bwn h LEU 128 CO 0.06 -0.29 -0.48 0.11 0.09 0.00 0.00 178.44 177.93 1bwn h LYS 129 N -1.15 -0.09 -0.96 1.13 1.79 0.34 1.35 116.57 118.97 1bwn h LYS 129 Ca -0.08 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.60 1bwn h LYS 129 Cb 0.60 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.19 1bwn h LYS 129 CO 0.13 -0.06 0.62 -0.91 -1.08 0.00 0.00 179.45 178.15 1bwn h ASN 130 N -0.10 0.56 1.11 0.86 4.21 -1.25 -1.66 115.58 119.31 1bwn h ASN 130 Ca 0.22 0.07 -0.14 0.00 1.21 0.00 0.00 56.30 57.65 1bwn h ASN 130 Cb 0.53 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 1bwn h ASN 130 CO -0.85 0.20 -0.67 -0.37 -1.29 0.00 0.00 177.43 174.45 1bwn h VAL 131 N 0.54 1.23 -0.30 2.81 -1.51 0.32 -3.21 116.25 116.14 1bwn h VAL 131 Ca 0.53 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 1bwn h VAL 131 Cb 1.11 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.73 1bwn h VAL 131 CO -0.27 0.66 0.00 2.30 -1.23 0.00 0.00 177.57 179.03 1bwn n ILE 132 N -3.39 0.38 0.03 7.19 -5.35 -0.74 -4.57 119.36 112.92 1bwn n ILE 132 Ca 0.01 -0.69 0.15 0.00 -0.27 0.00 0.00 62.75 61.95 1bwn n ILE 132 Cb 0.75 1.12 0.62 0.00 -1.74 0.00 0.00 39.64 40.40 1bwn n ILE 132 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 1bwn h ARG 133 N 4.58 0.12 -0.52 6.28 0.11 -1.32 -0.80 114.38 122.84 1bwn h ARG 133 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1bwn h ARG 133 Cb 1.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1bwn h ARG 133 CO 0.00 0.08 0.00 0.66 0.10 0.00 0.00 179.97 180.81 1bwn n TYR 134 N -4.44 1.45 -0.74 4.08 4.01 -1.26 -4.96 117.16 115.29 1bwn n TYR 134 Ca 0.07 -0.69 -0.29 0.00 -0.16 0.00 0.00 57.90 56.82 1bwn n TYR 134 Cb 0.41 -0.32 0.20 0.00 -0.31 0.00 0.00 39.34 39.33 1bwn n TYR 134 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1bwn s ASN 135 N -1.11 2.15 -0.01 7.72 -0.87 -0.31 -4.96 114.94 117.55 1bwn s ASN 135 Ca 0.48 1.73 0.19 0.00 -1.57 0.00 0.00 52.86 53.69 1bwn s ASN 135 Cb 0.34 -2.36 -0.23 0.00 -0.02 0.00 0.00 41.25 38.98 1bwn s ASN 135 CO 0.18 -3.51 0.73 -1.54 -2.57 0.00 0.00 177.10 170.39 1bwn n SER 136 N -4.47 0.81 -0.65 -1.22 3.41 -1.26 -4.40 113.62 105.84 1bwn n SER 136 Ca 0.07 -0.74 0.05 0.00 -0.26 0.00 0.00 58.87 57.99 1bwn n SER 136 Cb 0.54 1.20 0.20 0.00 -0.26 0.00 0.00 64.21 65.89 1bwn n SER 136 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bwn n ASP 137 N -1.61 1.75 -4.74 4.04 -0.08 -1.26 -5.01 116.55 109.62 1bwn n ASP 137 Ca 0.02 -3.85 -0.42 0.00 -1.51 0.00 0.00 54.79 49.03 1bwn n ASP 137 Cb 0.35 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 43.27 1bwn n ASP 137 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1bwn s LEU 138 N -3.15 4.36 0.10 -2.67 1.43 -1.26 -4.59 118.68 112.91 1bwn s LEU 138 Ca 0.38 2.80 -0.05 0.00 -1.03 0.00 0.00 54.13 56.23 1bwn s LEU 138 Cb 0.37 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 1bwn s LEU 138 CO -0.07 -0.83 0.34 0.68 0.23 0.00 0.00 176.35 176.70 1bwn s VAL 139 N 0.24 5.21 -0.56 -1.59 -7.23 -0.61 -5.01 120.40 110.85 1bwn s VAL 139 Ca 0.64 0.04 0.14 0.00 -1.81 0.00 0.00 61.98 60.99 1bwn s VAL 139 Cb -0.45 -3.62 0.46 0.00 0.56 0.00 0.00 36.38 33.33 1bwn s VAL 139 CO 0.43 0.13 1.38 0.00 -0.31 0.00 0.00 175.10 176.72 1bwn n GLN 140 N 0.35 3.02 -4.30 4.82 6.02 -1.26 -4.87 117.38 121.17 1bwn n GLN 140 Ca -0.05 -2.53 -0.23 0.00 -0.01 0.00 0.00 57.00 54.18 1bwn n GLN 140 Cb 0.52 -1.63 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 1bwn n GLN 140 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1bwn s LYS 141 N -2.01 1.07 0.07 -1.09 0.00 -1.25 0.60 119.74 117.13 1bwn s LYS 141 Ca 0.35 -1.07 -0.27 0.00 0.00 0.00 0.00 55.97 54.98 1bwn s LYS 141 Cb 0.25 -1.25 0.09 0.00 0.00 0.00 0.00 37.83 36.92 1bwn s LYS 141 CO 0.13 0.29 1.00 1.52 0.00 0.00 0.00 175.35 178.30 1bwn s TYR 142 N -1.14 -0.17 -0.28 1.78 1.13 0.25 -4.30 117.35 114.62 1bwn s TYR 142 Ca 0.04 -0.04 -0.09 0.00 -1.41 0.00 0.00 57.07 55.57 1bwn s TYR 142 Cb -0.10 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1bwn s TYR 142 CO 0.03 -0.63 0.13 -1.01 -2.51 0.00 0.00 175.55 171.56 1bwn s HIS 143 N -3.06 3.15 -0.34 -3.49 3.76 -1.26 -1.58 115.29 112.47 1bwn s HIS 143 Ca 0.10 -0.42 0.25 0.00 -0.15 0.00 0.00 55.06 54.85 1bwn s HIS 143 Cb -0.00 -2.32 1.09 0.00 1.11 0.00 0.00 32.58 32.46 1bwn s HIS 143 CO -0.02 -0.38 1.76 -1.00 -0.85 0.00 0.00 174.74 174.25 1bwn h PRO 144 N 8.31 0.00 0.00 8.40 0.13 -1.96 -3.45 132.00 143.44 1bwn h PRO 144 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1bwn h PRO 144 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1bwn h PRO 144 CO 0.59 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1bwn s PHE 146 N -0.34 3.51 0.01 0.00 0.08 -1.26 -4.82 117.98 115.15 1bwn s PHE 146 Ca 0.00 1.29 -0.16 0.00 0.12 0.00 0.00 56.93 58.19 1bwn s PHE 146 Cb -0.00 -2.57 -0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1bwn s PHE 146 CO 0.00 0.22 0.44 -0.46 -0.10 0.00 0.00 175.22 175.32 1bwn s TRP 147 N -1.75 3.74 -0.23 0.36 -0.00 -1.26 -1.98 118.94 117.81 1bwn s TRP 147 Ca 0.48 1.05 -0.30 0.00 -0.00 0.00 0.00 56.10 57.34 1bwn s TRP 147 Cb -0.13 -2.34 0.16 0.00 -0.00 0.00 0.00 33.47 31.16 1bwn s TRP 147 CO 0.19 0.61 1.21 -1.50 -0.00 0.00 0.00 176.95 177.46 1bwn s ILE 148 N -1.02 0.00 -0.03 5.86 1.10 -1.01 -4.93 121.20 121.18 1bwn s ILE 148 Ca 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.39 1bwn s ILE 148 Cb -0.17 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.44 1bwn s ILE 148 CO 0.14 0.00 0.00 0.47 -2.11 0.00 0.00 174.94 173.44 1bwn n ASP 149 N 0.58 -2.14 0.00 4.50 8.00 -1.26 -0.89 116.55 125.34 1bwn n ASP 149 Ca -0.04 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1bwn n ASP 149 Cb 0.58 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1bwn n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwn n GLY 150 N 0.34 4.52 3.07 0.44 0.00 -1.26 -5.14 105.19 107.16 1bwn n GLY 150 Ca -0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1bwn n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bwn s GLN 151 N 0.00 0.55 -1.04 1.61 -2.07 -0.07 -4.52 119.66 114.13 1bwn s GLN 151 Ca 0.00 -0.99 -0.25 0.00 -1.82 0.00 0.00 55.36 52.30 1bwn s GLN 151 Cb 0.00 0.01 -0.16 0.00 -1.09 0.00 0.00 33.01 31.77 1bwn s GLN 151 CO 0.00 -0.05 2.11 0.71 -1.32 0.00 0.00 175.29 176.74 1bwn s TYR 152 N -2.71 1.43 0.12 9.60 2.02 -1.19 -2.41 117.35 124.22 1bwn s TYR 152 Ca -0.02 1.66 0.02 0.00 -0.37 0.00 0.00 57.07 58.37 1bwn s TYR 152 Cb -0.01 -3.57 0.07 0.00 -0.40 0.00 0.00 41.96 38.05 1bwn s TYR 152 CO -0.05 -1.06 0.21 1.28 -1.57 0.00 0.00 175.55 174.37 1bwn n LEU 153 N 17.74 0.00 -0.05 -1.29 4.77 -0.84 -0.06 117.00 137.27 1bwn n LEU 153 Ca 0.43 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1bwn n LEU 153 Cb 0.46 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1bwn n LEU 153 CO 0.60 -0.11 -0.27 0.00 -1.33 0.00 0.00 177.39 176.28 1bwn n SER 156 N -0.06 -0.81 -3.06 0.00 2.88 0.91 -4.96 113.62 108.52 1bwn n SER 156 Ca 0.18 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1bwn n SER 156 Cb 0.28 -2.44 0.03 0.00 -0.75 0.00 0.00 64.21 61.33 1bwn n SER 156 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwn n GLN 157 N -1.62 -0.76 -1.72 -1.46 6.02 -1.26 -4.54 117.38 112.05 1bwn n GLN 157 Ca 0.00 -0.14 0.03 0.00 -0.01 0.00 0.00 57.00 56.88 1bwn n GLN 157 Cb 0.06 -0.24 0.03 0.00 1.02 0.00 0.00 30.24 31.12 1bwn n GLN 157 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1bwn n THR 158 N -2.94 0.34 -3.69 5.09 -2.24 -1.26 -3.14 114.28 106.43 1bwn n THR 158 Ca 0.01 -1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 60.22 1bwn n THR 158 Cb 0.06 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 1bwn n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwn s ALA 159 N -0.85 -0.97 0.42 6.98 0.00 -1.26 -4.94 121.76 121.13 1bwn s ALA 159 Ca 0.33 1.41 0.26 0.00 0.00 0.00 0.00 51.96 53.95 1bwn s ALA 159 Cb 0.38 -1.00 1.34 0.00 0.00 0.00 0.00 23.12 23.83 1bwn s ALA 159 CO -0.14 -0.42 1.64 0.87 0.00 0.00 0.00 175.76 177.71 1bwn h LYS 160 N 7.51 0.14 -0.58 0.00 1.57 -1.94 0.60 116.57 123.88 1bwn h LYS 160 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1bwn h LYS 160 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1bwn h LYS 160 CO 0.24 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.31 1bwn n ASN 161 N -4.77 3.26 -4.75 0.86 4.13 -1.26 -4.71 115.26 108.02 1bwn n ASN 161 Ca 0.35 -2.22 -0.40 0.00 1.68 0.00 0.00 54.58 53.99 1bwn n ASN 161 Cb 1.30 -0.44 0.02 0.00 -1.54 0.00 0.00 39.78 39.12 1bwn n ASN 161 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bwn n ALA 162 N 0.80 1.80 -1.68 5.41 0.00 0.21 -4.92 120.51 122.14 1bwn n ALA 162 Ca 0.18 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1bwn n ALA 162 Cb 0.59 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.72 1bwn n ALA 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1bwn n MET 163 N -0.32 1.40 -1.67 0.00 1.56 -1.26 -4.84 117.12 111.99 1bwn n MET 163 Ca 0.07 0.52 -0.49 0.00 -0.27 0.00 0.00 57.70 57.52 1bwn n MET 163 Cb 0.42 -2.33 -0.05 0.00 2.15 0.00 0.00 33.22 33.40 1bwn n MET 163 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1bwn n GLY 164 N 1.01 1.18 0.21 -5.12 0.00 -1.26 -4.81 105.19 96.39 1bwn n GLY 164 Ca 0.11 0.79 0.01 0.00 0.00 0.00 0.00 46.02 46.93 1bwn n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwn s GLN 166 N -1.76 0.91 -0.08 0.00 2.00 -0.61 -4.90 119.66 115.22 1bwn s GLN 166 Ca 0.04 -0.59 -0.12 0.00 -2.00 0.00 0.00 55.36 52.69 1bwn s GLN 166 Cb 0.02 0.40 -0.05 0.00 0.80 0.00 0.00 33.01 34.18 1bwn s GLN 166 CO 0.02 -0.32 0.30 -1.50 -0.50 0.00 0.00 175.29 173.30 1bwn s ILE 167 N -3.06 5.24 -0.09 -2.34 2.07 -1.26 0.86 121.20 122.63 1bwn s ILE 167 Ca -0.01 0.58 0.01 0.00 -1.41 0.00 0.00 60.65 59.82 1bwn s ILE 167 Cb 0.01 -3.60 0.02 0.00 0.13 0.00 0.00 42.46 39.01 1bwn s ILE 167 CO -0.07 0.54 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.20 1bwn s LEU 168 N -0.65 1.35 -0.07 8.50 2.96 0.20 -4.88 118.68 126.09 1bwn s LEU 168 Ca 0.19 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1bwn s LEU 168 Cb -0.14 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1bwn s LEU 168 CO 0.08 -0.06 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.36 1bwn n GLU 169 N 4.42 0.18 0.00 1.98 1.02 -1.26 -4.22 120.64 122.76 1bwn n GLU 169 Ca -0.18 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1bwn n GLU 169 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1bwn n GLU 169 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40