#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 n SER 2 N 0.00 1.19 -4.36 1.61 3.41 -1.26 -5.11 113.62 109.10 2ee8 n SER 2 Ca 0.00 -2.06 -0.30 0.00 -0.26 0.00 0.00 58.87 56.24 2ee8 n SER 2 Cb 0.00 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 63.09 2ee8 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ee8 s SER 3 N -5.27 3.25 -0.29 4.04 0.15 -1.26 -4.99 113.70 109.32 2ee8 s SER 3 Ca 0.69 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.82 2ee8 s SER 3 Cb -0.04 -0.35 0.19 0.00 -1.71 0.00 0.00 66.02 64.11 2ee8 s SER 3 CO 0.46 0.27 0.56 -0.83 1.20 0.00 0.00 173.24 174.91 2ee8 s GLY 4 N -1.14 -1.03 0.00 9.45 0.00 -1.26 -5.16 107.32 108.19 2ee8 s GLY 4 Ca 0.12 1.34 -0.06 0.00 0.00 0.00 0.00 44.72 46.12 2ee8 s GLY 4 CO 0.02 3.42 0.10 -1.35 0.00 0.00 0.00 173.10 175.29 2ee8 s SER 5 N 2.80 0.06 0.23 1.64 1.04 -1.26 -4.19 113.70 114.02 2ee8 s SER 5 Ca 0.15 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 2ee8 s SER 5 Cb -0.13 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2ee8 s SER 5 CO -0.23 -0.34 0.41 -0.94 0.98 0.00 0.00 173.24 173.12 2ee8 s SER 6 N -1.32 -0.05 -0.05 7.02 1.04 -1.26 -4.04 113.70 115.04 2ee8 s SER 6 Ca -0.14 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.29 2ee8 s SER 6 Cb -0.08 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ee8 s SER 6 CO 0.01 -1.07 0.08 0.61 0.98 0.00 0.00 173.24 173.85 2ee8 n GLY 7 N -0.35 -4.60 0.00 7.32 0.00 0.16 -4.46 105.19 103.27 2ee8 n GLY 7 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2ee8 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ee8 n GLY 8 N 1.12 3.15 3.19 -0.02 0.00 -1.25 -3.94 105.19 107.44 2ee8 n GLY 8 Ca -0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2ee8 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ee8 s ARG 9 N -2.00 0.34 -0.14 1.61 0.52 -1.26 -4.71 118.95 113.31 2ee8 s ARG 9 Ca 0.00 0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 55.66 2ee8 s ARG 9 Cb 0.00 0.04 0.04 0.00 0.52 0.00 0.00 34.95 35.55 2ee8 s ARG 9 CO 0.00 -0.11 0.38 -0.51 0.02 0.00 0.00 175.30 175.08 2ee8 s LEU 10 N 0.85 0.54 -0.24 2.53 1.43 -1.26 -4.84 118.68 117.69 2ee8 s LEU 10 Ca -0.06 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 2ee8 s LEU 10 Cb -0.06 1.31 -0.02 0.00 0.03 0.00 0.00 46.19 47.45 2ee8 s LEU 10 CO -0.06 -0.13 1.63 -2.16 0.23 0.00 0.00 176.35 175.85 2ee8 s PRO 11 N 0.20 3.73 0.45 1.29 0.04 -1.26 -5.00 135.00 134.46 2ee8 s PRO 11 Ca -0.00 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 2ee8 s PRO 11 Cb -0.03 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2ee8 s PRO 11 CO 0.01 -1.37 0.74 -1.54 0.04 0.00 0.00 177.00 174.88 2ee8 s SER 12 N 4.43 6.27 -0.04 6.66 1.04 -1.26 -4.96 113.70 125.85 2ee8 s SER 12 Ca 0.72 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.98 2ee8 s SER 12 Cb -0.24 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2ee8 s SER 12 CO 0.30 -0.52 2.28 1.17 0.98 0.00 0.00 173.24 177.45 2ee8 n LYS 13 N -2.16 1.26 -4.11 4.02 4.81 -1.26 -4.76 118.16 115.98 2ee8 n LYS 13 Ca -0.00 -0.35 -0.36 0.00 -0.87 0.00 0.00 58.31 56.72 2ee8 n LYS 13 Cb 0.55 -1.24 -0.07 0.00 0.02 0.00 0.00 35.03 34.29 2ee8 n LYS 13 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2ee8 n THR 14 N 1.54 -0.03 -0.12 3.15 5.66 -1.26 -4.76 114.28 118.46 2ee8 n THR 14 Ca 0.11 -0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 60.87 2ee8 n THR 14 Cb 0.58 -0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 68.81 2ee8 n THR 14 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2ee8 n LYS 15 N -3.56 0.57 -0.85 1.09 5.02 -1.26 -4.46 118.16 114.69 2ee8 n LYS 15 Ca 0.09 0.19 -0.17 0.00 -2.02 0.00 0.00 58.31 56.40 2ee8 n LYS 15 Cb 0.39 -1.44 0.12 0.00 -0.02 0.00 0.00 35.03 34.08 2ee8 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ee8 n LYS 16 N -3.69 1.87 -0.60 1.97 5.02 -1.26 -4.96 118.16 116.51 2ee8 n LYS 16 Ca -0.46 -2.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.45 2ee8 n LYS 16 Cb 0.90 -1.81 0.27 0.00 -0.02 0.00 0.00 35.03 34.37 2ee8 n LYS 16 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ee8 s GLU 17 N -2.28 -2.42 0.48 1.97 -1.05 -1.26 -5.06 118.70 109.07 2ee8 s GLU 17 Ca 0.39 0.07 0.06 0.00 -0.15 0.00 0.00 54.97 55.35 2ee8 s GLU 17 Cb 0.33 -1.44 -0.01 0.00 -0.44 0.00 0.00 34.13 32.57 2ee8 s GLU 17 CO 0.07 -4.53 0.30 -0.06 0.95 0.00 0.00 175.26 171.99 2ee8 s PHE 18 N -2.51 2.16 -0.04 4.83 0.08 -1.26 -5.06 117.98 116.17 2ee8 s PHE 18 Ca 0.69 -0.70 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 2ee8 s PHE 18 Cb -0.12 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2ee8 s PHE 18 CO 0.57 -0.14 0.09 0.42 -0.10 0.00 0.00 175.22 176.06 2ee8 s ILE 19 N -2.67 -0.05 1.06 0.64 1.01 -1.26 -3.68 121.20 116.24 2ee8 s ILE 19 Ca 0.37 0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 2ee8 s ILE 19 Cb -0.00 -0.16 -0.06 0.00 0.01 0.00 0.00 42.46 42.25 2ee8 s ILE 19 CO 0.21 0.07 -0.84 0.00 0.00 0.00 0.00 174.94 174.38 2ee8 n LYS 21 N 0.37 2.66 -0.03 0.00 2.85 -1.26 -3.57 118.16 119.18 2ee8 n LYS 21 Ca -0.01 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2ee8 n LYS 21 Cb 0.70 -1.13 -0.11 0.00 -0.65 0.00 0.00 35.03 33.85 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2ee8 h PHE 22 N 0.00 0.09 0.00 5.58 0.04 -2.00 -3.38 116.94 117.27 2ee8 h PHE 22 Ca -0.13 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.44 2ee8 h PHE 22 Cb 1.29 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.39 2ee8 h PHE 22 CO 0.00 0.70 -1.77 0.00 -0.60 0.00 0.00 178.31 176.65 2ee8 n GLY 24 N 2.11 0.60 3.91 0.00 0.00 -1.23 -5.01 105.19 105.57 2ee8 n GLY 24 Ca -0.15 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2ee8 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ee8 s ARG 25 N -4.90 3.62 -0.07 1.61 3.52 -1.26 -4.68 118.95 116.79 2ee8 s ARG 25 Ca 0.06 -0.01 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 2ee8 s ARG 25 Cb -0.03 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.70 2ee8 s ARG 25 CO 0.11 0.18 0.15 -1.01 -0.81 0.00 0.00 175.30 173.92 2ee8 s HIS 26 N -2.15 3.55 0.21 5.12 3.76 -1.26 -1.28 115.29 123.24 2ee8 s HIS 26 Ca 0.44 0.43 0.08 0.00 -0.15 0.00 0.00 55.06 55.86 2ee8 s HIS 26 Cb -0.11 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 2ee8 s HIS 26 CO 0.31 0.68 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.69 2ee8 s PHE 27 N -1.15 1.75 -0.06 1.40 0.40 -1.24 -5.03 117.98 114.04 2ee8 s PHE 27 Ca 0.20 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2ee8 s PHE 27 Cb -0.12 -0.83 -0.30 0.00 0.51 0.00 0.00 43.02 42.28 2ee8 s PHE 27 CO 0.10 0.36 0.61 1.79 0.70 0.00 0.00 175.22 178.79 2ee8 h THR 28 N 2.53 0.90 -1.49 0.64 1.35 -1.97 -3.42 112.91 111.45 2ee8 h THR 28 Ca -0.38 -2.47 -0.44 0.00 -0.55 0.00 0.00 66.41 62.57 2ee8 h THR 28 Cb 1.22 2.72 0.03 0.00 -1.73 0.00 0.00 68.15 70.39 2ee8 h THR 28 CO 0.62 0.85 -0.19 -0.54 -0.25 0.00 0.00 175.52 176.01 2ee8 s LYS 29 N -2.56 2.65 -0.07 4.72 -0.14 -1.26 -4.77 119.74 118.31 2ee8 s LYS 29 Ca -0.17 -1.25 0.16 0.00 -1.36 0.00 0.00 55.97 53.35 2ee8 s LYS 29 Cb 0.05 -2.69 -0.22 0.00 -1.68 0.00 0.00 37.83 33.29 2ee8 s LYS 29 CO 0.83 -0.48 0.49 -1.13 -0.76 0.00 0.00 175.35 174.30 2ee8 n SER 30 N -2.02 0.51 -0.03 2.83 3.41 -1.26 -4.20 113.62 112.86 2ee8 n SER 30 Ca 0.10 0.24 -0.18 0.00 -0.26 0.00 0.00 58.87 58.76 2ee8 n SER 30 Cb 0.60 0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 64.92 2ee8 n SER 30 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 2ee8 h TYR 31 N 0.00 0.22 -1.15 7.33 -0.00 -2.01 -3.32 116.97 118.03 2ee8 h TYR 31 Ca -0.32 -0.16 0.33 0.00 0.00 0.00 0.00 58.73 58.58 2ee8 h TYR 31 Cb 1.91 -0.01 -0.06 0.00 0.00 0.00 0.00 36.73 38.57 2ee8 h TYR 31 CO 0.00 1.26 0.81 -0.97 -0.00 0.00 0.00 178.16 179.26 2ee8 h ASN 32 N -0.72 0.09 -0.04 0.10 -0.73 -2.00 0.12 115.58 112.40 2ee8 h ASN 32 Ca -0.15 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 2ee8 h ASN 32 Cb 1.35 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.94 2ee8 h ASN 32 CO 0.01 0.01 0.01 0.25 -0.37 0.00 0.00 177.43 177.35 2ee8 h LEU 33 N 0.08 0.07 -0.76 0.34 5.85 -1.73 -2.53 115.31 116.62 2ee8 h LEU 33 Ca 0.57 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 59.09 2ee8 h LEU 33 Cb 2.11 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 43.08 2ee8 h LEU 33 CO -0.07 0.27 0.49 0.17 -0.34 0.00 0.00 178.44 178.97 2ee8 h LEU 34 N -0.14 0.83 -1.21 2.25 8.10 -0.90 -1.91 115.31 122.33 2ee8 h LEU 34 Ca 0.01 -0.01 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2ee8 h LEU 34 Cb 0.23 -0.19 -0.05 0.00 -0.44 0.00 0.00 40.66 40.20 2ee8 h LEU 34 CO 0.00 0.59 0.56 0.40 -4.11 0.00 0.00 178.44 175.87 2ee8 h ILE 35 N 0.98 1.08 -0.24 0.15 2.04 -1.32 -2.33 117.51 117.87 2ee8 h ILE 35 Ca 0.30 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2ee8 h ILE 35 Cb -0.04 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 2ee8 h ILE 35 CO -0.09 0.18 -0.08 -0.74 0.00 0.00 0.00 178.15 177.42 2ee8 h HIS 36 N 0.98 0.55 -0.90 1.37 2.76 -0.93 -2.85 115.15 116.13 2ee8 h HIS 36 Ca 0.36 -0.12 0.26 0.00 -2.20 0.00 0.00 60.37 58.67 2ee8 h HIS 36 Cb 0.17 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 2ee8 h HIS 36 CO -0.00 0.72 0.89 0.93 -1.30 0.00 0.00 177.93 179.17 2ee8 h GLU 37 N 0.22 0.00 -0.43 5.26 5.08 -0.82 0.19 114.58 124.08 2ee8 h GLU 37 Ca 0.06 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2ee8 h GLU 37 Cb 0.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2ee8 h GLU 37 CO 0.03 0.00 0.13 0.00 -1.00 0.00 0.00 179.01 178.17 2ee8 h ARG 38 N 0.00 0.28 -0.98 2.33 3.08 -1.48 -0.89 114.38 116.72 2ee8 h ARG 38 Ca 0.43 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.68 2ee8 h ARG 38 Cb 2.20 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 32.10 2ee8 h ARG 38 CO -0.00 0.19 0.62 1.79 -1.07 0.00 0.00 179.97 181.50 2ee8 h THR 39 N 0.29 0.65 0.20 2.04 1.35 -0.79 -2.55 112.91 114.09 2ee8 h THR 39 Ca 0.21 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2ee8 h THR 39 Cb 0.22 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 2ee8 h THR 39 CO -0.23 0.10 -0.09 0.45 -0.25 0.00 0.00 175.52 175.50 2ee8 h HIS 40 N 0.55 -0.24 -3.71 4.73 3.86 -1.36 -3.46 115.15 115.52 2ee8 h HIS 40 Ca 0.55 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 59.19 2ee8 h HIS 40 Cb 1.15 0.08 0.17 0.00 1.06 0.00 0.00 27.41 29.88 2ee8 h HIS 40 CO -0.00 -0.02 0.12 0.25 0.86 0.00 0.00 177.93 179.14 2ee8 n THR 41 N -4.94 3.32 -2.23 2.45 -2.24 -0.45 -4.95 114.28 105.23 2ee8 n THR 41 Ca -0.05 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 2ee8 n THR 41 Cb 0.17 -1.13 0.05 0.00 -2.10 0.00 0.00 70.33 67.32 2ee8 n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ee8 n ASP 42 N -1.32 3.26 -3.32 3.42 8.00 -1.26 -4.88 116.55 120.45 2ee8 n ASP 42 Ca 0.14 -3.15 -0.16 0.00 0.71 0.00 0.00 54.79 52.32 2ee8 n ASP 42 Cb 0.49 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 2ee8 n ASP 42 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2ee8 s GLU 43 N -3.35 1.83 -0.81 -1.24 1.03 -1.26 -5.05 118.70 109.85 2ee8 s GLU 43 Ca 0.41 -1.85 -0.22 0.00 0.03 0.00 0.00 54.97 53.34 2ee8 s GLU 43 Cb 0.38 0.39 -0.19 0.00 -0.80 0.00 0.00 34.13 33.91 2ee8 s GLU 43 CO -0.01 -0.72 2.11 0.54 -1.33 0.00 0.00 175.26 175.84 2ee8 n ARG 44 N -0.57 0.00 0.00 -4.83 1.74 -1.26 -4.69 116.66 107.04 2ee8 n ARG 44 Ca 0.03 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 2ee8 n ARG 44 Cb 0.62 -1.15 0.33 0.00 -1.02 0.00 0.00 32.46 31.24 2ee8 n ARG 44 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ee8 n PRO 45 N 6.50 0.08 -1.43 5.56 -0.04 -1.26 -3.73 135.00 140.67 2ee8 n PRO 45 Ca 0.53 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.95 2ee8 n PRO 45 Cb 0.04 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.92 2ee8 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ee8 n TYR 46 N -1.42 1.39 -4.05 0.54 4.02 -1.26 -4.90 117.16 111.48 2ee8 n TYR 46 Ca 0.05 -2.01 -0.35 0.00 -0.01 0.00 0.00 57.90 55.57 2ee8 n TYR 46 Cb 0.15 -1.55 -0.11 0.00 -0.02 0.00 0.00 39.34 37.80 2ee8 n TYR 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ee8 s THR 47 N -1.10 4.32 0.83 -0.72 2.01 -1.24 -2.35 115.64 117.38 2ee8 s THR 47 Ca 0.61 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 2ee8 s THR 47 Cb 0.33 -2.95 0.17 0.00 0.01 0.00 0.00 72.50 70.06 2ee8 s THR 47 CO -0.14 0.43 0.39 0.00 -0.69 0.00 0.00 174.62 174.60 2ee8 n ASP 49 N -1.97 0.57 0.03 0.00 8.00 -1.26 -4.18 116.55 117.73 2ee8 n ASP 49 Ca 0.06 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2ee8 n ASP 49 Cb 0.27 1.82 0.00 0.00 -0.02 0.00 0.00 41.12 43.19 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ee8 n ILE 50 N -2.12 0.59 0.91 0.53 5.41 -1.26 -4.75 119.36 118.67 2ee8 n ILE 50 Ca -0.03 0.20 0.10 0.00 1.00 0.00 0.00 62.75 64.01 2ee8 n ILE 50 Cb 0.49 -1.23 0.49 0.00 -0.71 0.00 0.00 39.64 38.69 2ee8 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ee8 n HIS 52 N -1.32 -1.13 -3.40 0.00 8.25 -1.26 -4.86 115.22 111.50 2ee8 n HIS 52 Ca 0.09 0.39 -0.35 0.00 -0.26 0.00 0.00 57.72 57.59 2ee8 n HIS 52 Cb 0.17 -2.44 -0.06 0.00 1.12 0.00 0.00 29.99 28.79 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ee8 s LYS 53 N -6.94 3.93 -0.03 -0.41 1.02 -1.26 -4.55 119.74 111.49 2ee8 s LYS 53 Ca 0.12 0.42 -0.23 0.00 0.02 0.00 0.00 55.97 56.31 2ee8 s LYS 53 Cb -0.07 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2ee8 s LYS 53 CO 0.87 0.48 0.67 0.00 -0.92 0.00 0.00 175.35 176.45 2ee8 s ALA 54 N -1.48 3.39 0.19 5.17 0.00 -1.26 -2.62 121.76 125.15 2ee8 s ALA 54 Ca 0.38 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2ee8 s ALA 54 Cb -0.15 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2ee8 s ALA 54 CO 0.19 0.02 -0.14 -0.06 0.00 0.00 0.00 175.76 175.77 2ee8 s PHE 55 N 0.31 1.62 -0.11 0.00 0.40 -0.99 -5.05 117.98 114.17 2ee8 s PHE 55 Ca 0.35 -0.60 0.15 0.00 -0.60 0.00 0.00 56.93 56.23 2ee8 s PHE 55 Cb -0.18 -0.77 -0.23 0.00 0.51 0.00 0.00 43.02 42.35 2ee8 s PHE 55 CO 0.18 0.30 0.38 2.89 0.70 0.00 0.00 175.22 179.67 2ee8 n ARG 56 N -0.31 0.68 -4.48 0.44 0.00 -1.26 -4.74 116.66 106.99 2ee8 n ARG 56 Ca -0.09 -0.12 -0.22 0.00 -0.00 0.00 0.00 57.85 57.42 2ee8 n ARG 56 Cb 0.60 -1.34 -0.16 0.00 -0.00 0.00 0.00 32.46 31.56 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ee8 s ARG 57 N -2.98 1.28 0.06 2.89 0.52 -1.26 -5.06 118.95 114.40 2ee8 s ARG 57 Ca -0.04 -0.35 -0.38 0.00 -0.52 0.00 0.00 55.73 54.44 2ee8 s ARG 57 Cb 0.10 -1.13 -0.21 0.00 0.52 0.00 0.00 34.95 34.23 2ee8 s ARG 57 CO 0.64 0.08 1.57 1.96 0.02 0.00 0.00 175.30 179.57 2ee8 h GLN 58 N 6.64 -1.28 -0.79 3.54 4.20 -1.99 -2.14 115.11 123.29 2ee8 h GLN 58 Ca -0.33 0.09 0.18 0.00 0.06 0.00 0.00 58.65 58.65 2ee8 h GLN 58 Cb 1.17 0.29 -0.15 0.00 0.30 0.00 0.00 27.48 29.10 2ee8 h GLN 58 CO 0.48 -0.85 -0.11 -3.47 -0.67 0.00 0.00 178.83 174.21 2ee8 n ASP 59 N -5.67 -0.21 -0.08 1.46 2.03 -1.26 0.14 116.55 112.97 2ee8 n ASP 59 Ca -0.16 1.35 -0.11 0.00 0.52 0.00 0.00 54.79 56.38 2ee8 n ASP 59 Cb 0.53 -0.44 -0.04 0.00 -0.72 0.00 0.00 41.12 40.45 2ee8 n ASP 59 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2ee8 h HIS 60 N 0.00 0.43 -0.98 -0.67 3.86 -1.95 -1.86 115.15 113.97 2ee8 h HIS 60 Ca 0.42 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.63 2ee8 h HIS 60 Cb 0.74 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 2ee8 h HIS 60 CO -0.52 0.50 0.63 1.25 0.86 0.00 0.00 177.93 180.65 2ee8 h LEU 61 N 0.23 1.03 0.53 2.43 5.85 0.19 0.26 115.31 125.82 2ee8 h LEU 61 Ca 0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ee8 h LEU 61 Cb 0.29 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.11 2ee8 h LEU 61 CO 0.00 0.67 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.43 2ee8 h ARG 62 N 1.18 -0.68 -0.86 1.25 2.43 -0.46 -2.18 114.38 115.05 2ee8 h ARG 62 Ca 0.41 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.77 2ee8 h ARG 62 Cb 0.11 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 2ee8 h ARG 62 CO -0.16 -0.45 0.56 0.22 -1.51 0.00 0.00 179.97 178.63 2ee8 h ASP 63 N -0.89 0.61 -0.01 -3.80 1.82 -1.26 -1.81 116.42 111.08 2ee8 h ASP 63 Ca -0.07 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2ee8 h ASP 63 Cb 0.54 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2ee8 h ASP 63 CO 0.12 0.32 -0.03 -0.74 -1.61 0.00 0.00 179.24 177.29 2ee8 h HIS 64 N 0.65 -0.07 -0.80 0.28 2.76 -0.46 -1.82 115.15 115.68 2ee8 h HIS 64 Ca 0.42 0.00 0.23 0.00 -2.20 0.00 0.00 60.37 58.83 2ee8 h HIS 64 Cb 0.71 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 2ee8 h HIS 64 CO -0.00 -0.05 1.10 -0.09 -1.30 0.00 0.00 177.93 177.59 2ee8 h ARG 65 N -0.05 0.00 -0.85 5.26 2.43 -0.65 0.38 114.38 120.90 2ee8 h ARG 65 Ca 0.02 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 2ee8 h ARG 65 Cb 0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 2ee8 h ARG 65 CO -0.04 0.00 0.43 -0.92 -1.51 0.00 0.00 179.97 177.93 2ee8 h TYR 66 N 0.00 0.74 -1.29 2.20 3.20 -1.41 0.12 116.97 120.53 2ee8 h TYR 66 Ca 0.38 0.04 0.37 0.00 3.14 0.00 0.00 58.73 62.66 2ee8 h TYR 66 Cb 2.59 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 40.60 2ee8 h TYR 66 CO 0.00 0.15 0.93 -0.84 -1.64 0.00 0.00 178.16 176.75 2ee8 h ILE 67 N 0.59 0.35 -2.92 1.81 3.07 -0.43 -3.31 117.51 116.67 2ee8 h ILE 67 Ca 0.47 -0.00 -0.67 0.00 1.55 0.00 0.00 64.86 66.22 2ee8 h ILE 67 Cb 0.71 0.34 -0.17 0.00 -0.27 0.00 0.00 36.82 37.43 2ee8 h ILE 67 CO -0.39 0.00 0.28 -1.00 -1.05 0.00 0.00 178.15 176.00 2ee8 s HIS 68 N -4.95 2.88 -0.68 0.16 3.76 0.41 -4.98 115.29 111.90 2ee8 s HIS 68 Ca -0.05 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 53.96 2ee8 s HIS 68 Cb 0.24 -4.01 -0.13 0.00 1.11 0.00 0.00 32.58 29.79 2ee8 s HIS 68 CO 0.82 -1.36 2.43 -1.13 -0.85 0.00 0.00 174.74 174.65 2ee8 n SER 69 N 6.85 1.70 -4.73 1.40 3.41 -1.25 -4.82 113.62 116.19 2ee8 n SER 69 Ca -0.06 -0.79 -0.65 0.00 -0.26 0.00 0.00 58.87 57.11 2ee8 n SER 69 Cb 0.44 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 62.82 2ee8 n SER 69 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2ee8 n LYS 70 N 8.66 0.33 -0.76 4.33 0.00 -1.26 -4.36 118.16 125.10 2ee8 n LYS 70 Ca 0.45 0.12 -0.33 0.00 0.00 0.00 0.00 58.31 58.55 2ee8 n LYS 70 Cb 0.43 -1.67 0.14 0.00 0.00 0.00 0.00 35.03 33.93 2ee8 n LYS 70 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2ee8 n GLU 71 N 4.28 -0.72 -3.83 1.64 0.28 -1.26 -0.66 120.64 120.36 2ee8 n GLU 71 Ca 0.29 -0.18 -0.36 0.00 -0.16 0.00 0.00 57.16 56.76 2ee8 n GLU 71 Cb -0.00 -1.78 -0.13 0.00 1.43 0.00 0.00 31.44 30.95 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2ee8 s LYS 72 N -3.54 3.47 0.31 3.44 1.02 -1.26 -4.42 119.74 118.77 2ee8 s LYS 72 Ca 0.56 -0.58 0.10 0.00 0.02 0.00 0.00 55.97 56.07 2ee8 s LYS 72 Cb -0.18 -3.18 0.50 0.00 -0.52 0.00 0.00 37.83 34.45 2ee8 s LYS 72 CO 0.67 -0.21 1.70 -1.00 -0.92 0.00 0.00 175.35 175.59 2ee8 h PRO 73 N 8.18 0.09 -4.57 -1.68 0.13 -1.93 -3.39 132.00 128.82 2ee8 h PRO 73 Ca -0.39 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 2ee8 h PRO 73 Cb 1.16 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.91 2ee8 h PRO 73 CO 0.59 0.55 -0.66 -0.06 -0.23 0.00 0.00 178.00 178.19 2ee8 s PHE 74 N -3.97 3.69 -0.00 1.56 0.40 -1.26 -5.09 117.98 113.31 2ee8 s PHE 74 Ca -0.03 -2.82 0.08 0.00 -0.60 0.00 0.00 56.93 53.55 2ee8 s PHE 74 Cb 0.13 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 2ee8 s PHE 74 CO 0.76 -0.95 -0.24 -1.59 0.70 0.00 0.00 175.22 173.89 2ee8 s LYS 75 N 0.92 1.89 0.82 0.44 -2.85 -1.26 -5.01 119.74 114.69 2ee8 s LYS 75 Ca 0.10 -0.91 -0.14 0.00 -1.00 0.00 0.00 55.97 54.02 2ee8 s LYS 75 Cb -0.20 -1.88 0.05 0.00 -2.06 0.00 0.00 37.83 33.73 2ee8 s LYS 75 CO -0.06 0.51 0.91 0.00 0.10 0.00 0.00 175.35 176.81 2ee8 n GLN 77 N -2.46 0.45 0.13 0.00 -0.06 -1.26 -3.42 117.38 110.77 2ee8 n GLN 77 Ca 0.12 0.13 -0.08 0.00 -2.00 0.00 0.00 57.00 55.16 2ee8 n GLN 77 Cb 0.51 -1.33 -0.04 0.00 -4.06 0.00 0.00 30.24 25.32 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2ee8 h GLU 78 N -0.17 -0.42 0.01 3.69 4.39 -2.00 -3.36 114.58 116.72 2ee8 h GLU 78 Ca -0.43 0.03 -0.37 0.00 0.34 0.00 0.00 59.36 58.93 2ee8 h GLU 78 Cb 1.59 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.27 2ee8 h GLU 78 CO -0.12 -0.28 -2.32 0.00 -1.16 0.00 0.00 179.01 175.12 2ee8 n GLY 80 N 1.91 -1.17 3.99 0.00 0.00 -1.22 -4.98 105.19 103.72 2ee8 n GLY 80 Ca -0.35 0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee8 s LYS 81 N -3.15 1.78 -0.75 1.61 1.02 -1.26 -4.35 119.74 114.64 2ee8 s LYS 81 Ca 0.05 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.02 2ee8 s LYS 81 Cb -0.01 -2.34 0.35 0.00 -0.52 0.00 0.00 37.83 35.32 2ee8 s LYS 81 CO 0.70 -1.37 1.46 0.41 -0.92 0.00 0.00 175.35 175.64 2ee8 n GLY 82 N -2.79 5.84 3.24 -3.33 0.00 -1.26 -4.49 105.19 102.40 2ee8 n GLY 82 Ca 0.14 -2.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.16 2ee8 n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee8 n PHE 83 N -0.29 -1.89 0.00 1.61 3.01 -1.26 -4.50 117.46 114.14 2ee8 n PHE 83 Ca 0.42 0.22 0.00 0.00 1.01 0.00 0.00 57.45 59.10 2ee8 n PHE 83 Cb 0.37 -1.59 0.00 0.00 -0.01 0.00 0.00 39.48 38.25 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ee8 s GLN 85 N -0.91 0.98 0.07 0.00 2.00 -1.26 -4.50 119.66 116.04 2ee8 s GLN 85 Ca 0.00 -1.10 -0.16 0.00 -2.00 0.00 0.00 55.36 52.10 2ee8 s GLN 85 Cb 0.00 -1.06 -0.15 0.00 0.80 0.00 0.00 33.01 32.61 2ee8 s GLN 85 CO 0.00 0.23 1.30 0.66 -0.50 0.00 0.00 175.29 176.98 2ee8 h SER 86 N 4.01 0.74 -0.98 6.67 4.64 -1.97 -2.93 113.55 123.74 2ee8 h SER 86 Ca -0.42 -0.59 0.03 0.00 -0.47 0.00 0.00 61.79 60.34 2ee8 h SER 86 Cb 1.19 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 63.01 2ee8 h SER 86 CO 0.43 1.20 0.64 0.03 -0.87 0.00 0.00 176.83 178.26 2ee8 h ARG 87 N 0.31 1.21 0.00 4.77 3.08 -1.99 0.15 114.38 121.92 2ee8 h ARG 87 Ca -0.02 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2ee8 h ARG 87 Cb 1.13 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2ee8 h ARG 87 CO 0.11 0.80 -0.20 1.15 -1.07 0.00 0.00 179.97 180.76 2ee8 h THR 88 N 1.25 0.60 0.00 2.04 2.02 -1.98 -1.44 112.91 115.39 2ee8 h THR 88 Ca 0.39 -0.95 -0.26 0.00 0.77 0.00 0.00 66.41 66.35 2ee8 h THR 88 Cb -0.02 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2ee8 h THR 88 CO -0.12 0.20 -1.45 0.25 0.37 0.00 0.00 175.52 174.77 2ee8 h LEU 89 N 0.00 0.01 -0.03 2.58 5.85 -0.97 -3.06 115.31 119.68 2ee8 h LEU 89 Ca -0.00 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.44 2ee8 h LEU 89 Cb 0.61 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.66 2ee8 h LEU 89 CO 0.03 1.02 -1.05 0.00 -0.34 0.00 0.00 178.44 178.09 2ee8 h ALA 90 N 0.98 0.18 0.00 1.25 0.00 -0.53 0.07 119.26 121.22 2ee8 h ALA 90 Ca -0.19 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 2ee8 h ALA 90 Cb 1.93 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2ee8 h ALA 90 CO 0.10 0.74 -0.28 -0.24 0.00 0.00 0.00 179.25 179.57 2ee8 h VAL 91 N 0.31 0.57 0.00 0.00 3.04 -1.41 -3.25 116.25 115.52 2ee8 h VAL 91 Ca -0.12 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2ee8 h VAL 91 Cb 1.71 1.98 -0.00 0.00 -2.01 0.00 0.00 31.29 32.96 2ee8 h VAL 91 CO 0.20 0.27 -0.47 -0.74 -1.01 0.00 0.00 177.57 175.82 2ee8 h HIS 92 N 0.00 0.00 -0.80 3.17 -0.00 -1.54 -3.34 115.15 112.63 2ee8 h HIS 92 Ca -0.00 0.00 0.32 0.00 -0.00 0.00 0.00 60.37 60.68 2ee8 h HIS 92 Cb 0.95 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.22 2ee8 h HIS 92 CO 0.00 0.00 0.36 1.63 -0.00 0.00 0.00 177.93 179.92 2ee8 n LYS 93 N -4.63 -0.05 0.14 5.26 4.76 0.01 0.12 118.16 123.77 2ee8 n LYS 93 Ca -0.07 1.12 -0.14 0.00 -2.87 0.00 0.00 58.31 56.36 2ee8 n LYS 93 Cb 0.24 -1.97 -0.08 0.00 -1.84 0.00 0.00 35.03 31.38 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2ee8 h THR 94 N 0.00 0.81 -0.99 -0.18 1.35 -1.74 -2.95 112.91 109.22 2ee8 h THR 94 Ca 0.65 -0.16 0.23 0.00 -0.55 0.00 0.00 66.41 66.58 2ee8 h THR 94 Cb 1.66 0.91 -0.19 0.00 -1.73 0.00 0.00 68.15 68.81 2ee8 h THR 94 CO -0.64 0.04 -0.12 -0.07 -0.25 0.00 0.00 175.52 174.48 2ee8 h LEU 95 N -0.37 -0.72 0.09 3.87 3.38 0.76 0.29 115.31 122.61 2ee8 h LEU 95 Ca -0.03 0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2ee8 h LEU 95 Cb 0.29 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2ee8 h LEU 95 CO 0.05 -0.35 -0.20 0.45 0.09 0.00 0.00 178.44 178.48 2ee8 h HIS 96 N 0.00 -0.54 -4.60 1.13 3.86 -1.42 -3.43 115.15 110.16 2ee8 h HIS 96 Ca 0.54 0.01 -0.47 0.00 -1.16 0.00 0.00 60.37 59.29 2ee8 h HIS 96 Cb 0.97 0.23 0.10 0.00 1.06 0.00 0.00 27.41 29.77 2ee8 h HIS 96 CO -0.64 -0.29 0.41 -1.64 0.86 0.00 0.00 177.93 176.62 2ee8 s MET 97 N -6.10 1.99 0.49 2.45 -1.94 0.10 -4.95 119.30 111.34 2ee8 s MET 97 Ca -0.15 0.11 0.15 0.00 -1.71 0.00 0.00 55.69 54.09 2ee8 s MET 97 Cb 0.08 -1.96 1.16 0.00 2.01 0.00 0.00 34.83 36.12 2ee8 s MET 97 CO 0.66 -1.58 2.10 -0.56 -0.01 0.00 0.00 175.02 175.63 2ee8 h GLN 98 N -1.04 0.05 -4.37 2.03 -0.00 -1.84 -3.46 115.11 106.49 2ee8 h GLN 98 Ca -0.46 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.10 2ee8 h GLN 98 Cb 1.33 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.79 2ee8 h GLN 98 CO 0.66 0.08 -0.10 -2.37 -0.00 0.00 0.00 178.83 177.10 2ee8 n THR 99 N -4.48 -0.18 -1.46 1.86 5.66 -1.26 -4.65 114.28 109.77 2ee8 n THR 99 Ca -0.02 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.82 2ee8 n THR 99 Cb 0.13 -0.57 -0.14 0.00 -1.55 0.00 0.00 70.33 68.20 2ee8 n THR 99 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2ee8 n SER 100 N -1.42 -0.20 0.00 1.09 3.41 -1.26 -4.68 113.62 110.56 2ee8 n SER 100 Ca -0.05 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2ee8 n SER 100 Cb 0.50 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2ee8 n SER 100 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ee8 n SER 101 N 11.12 0.00 0.00 4.04 7.64 -1.26 -4.37 113.62 130.78 2ee8 n SER 101 Ca 0.50 0.21 0.04 0.00 1.01 0.00 0.00 58.87 60.63 2ee8 n SER 101 Cb 0.31 -0.50 0.26 0.00 -1.01 0.00 0.00 64.21 63.27 2ee8 n SER 101 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ee8 n PRO 102 N -2.29 0.49 -1.92 1.43 -0.04 -1.26 -4.82 135.00 126.59 2ee8 n PRO 102 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2ee8 n PRO 102 Cb 0.00 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 2ee8 n PRO 102 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ee8 s THR 103 N -2.00 2.39 -0.06 0.52 -1.32 -1.26 -5.02 115.64 108.89 2ee8 s THR 103 Ca 0.13 0.34 -0.03 0.00 -1.21 0.00 0.00 61.69 60.93 2ee8 s THR 103 Cb 0.06 -3.22 0.04 0.00 -1.51 0.00 0.00 72.50 67.87 2ee8 s THR 103 CO 0.10 0.06 0.14 0.00 -2.21 0.00 0.00 174.62 172.71 2ee8 s ALA 104 N -0.31 -0.22 -0.45 11.08 0.00 -1.26 -5.03 121.76 125.57 2ee8 s ALA 104 Ca 0.58 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.21 2ee8 s ALA 104 Cb -0.44 -0.47 0.58 0.00 0.00 0.00 0.00 23.12 22.78 2ee8 s ALA 104 CO 0.49 -0.20 1.80 0.00 0.00 0.00 0.00 175.76 177.85 2ee8 n ALA 105 N 4.33 5.42 0.77 0.00 0.00 -1.26 -5.27 120.51 124.51 2ee8 n ALA 105 Ca -0.24 -3.12 0.09 0.00 0.00 0.00 0.00 53.44 50.17 2ee8 n ALA 105 Cb 0.51 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.75 2ee8 n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37