#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 s SER 2 N 0.00 -0.63 -0.18 1.61 1.04 -1.26 -5.09 113.70 109.19 2ee8 s SER 2 Ca 0.00 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 2ee8 s SER 2 Cb 0.00 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 2ee8 s SER 2 CO 0.00 -0.74 -0.34 -1.20 0.98 0.00 0.00 173.24 171.94 2ee8 n SER 3 N 0.45 1.93 0.00 7.02 7.64 -1.26 -5.14 113.62 124.26 2ee8 n SER 3 Ca -0.18 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ee8 n SER 3 Cb 0.60 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2ee8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ee8 n GLY 4 N 1.46 2.25 3.17 0.23 0.00 -1.26 -5.08 105.19 105.95 2ee8 n GLY 4 Ca -0.16 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 2ee8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee8 s SER 5 N 0.00 -0.22 0.11 1.61 0.01 -1.26 -5.16 113.70 108.80 2ee8 s SER 5 Ca 0.00 0.77 -0.09 0.00 1.31 0.00 0.00 55.95 57.94 2ee8 s SER 5 Cb 0.00 1.38 -0.00 0.00 0.21 0.00 0.00 66.02 67.61 2ee8 s SER 5 CO 0.00 -0.25 0.23 -0.55 0.41 0.00 0.00 173.24 173.07 2ee8 s SER 6 N 2.62 0.08 -0.01 2.44 0.15 -1.26 -5.18 113.70 112.55 2ee8 s SER 6 Ca 0.04 -0.72 -0.30 0.00 0.70 0.00 0.00 55.95 55.68 2ee8 s SER 6 Cb -0.13 0.37 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 2ee8 s SER 6 CO -0.15 -0.79 1.15 -0.83 1.20 0.00 0.00 173.24 173.83 2ee8 s GLY 7 N -2.90 -0.35 -0.27 9.45 0.00 -1.26 -5.14 107.32 106.85 2ee8 s GLY 7 Ca 0.09 0.76 0.02 0.00 0.00 0.00 0.00 44.72 45.59 2ee8 s GLY 7 CO -0.07 0.19 -0.04 -0.32 0.00 0.00 0.00 173.10 172.85 2ee8 s GLY 8 N -2.77 1.55 -0.62 0.20 0.00 -1.26 -5.05 107.32 99.38 2ee8 s GLY 8 Ca 0.12 -1.79 0.04 0.00 0.00 0.00 0.00 44.72 43.10 2ee8 s GLY 8 CO -0.03 0.86 0.40 0.50 0.00 0.00 0.00 173.10 174.83 2ee8 s ARG 9 N 1.19 2.16 -0.03 2.90 1.81 -1.26 -5.09 118.95 120.64 2ee8 s ARG 9 Ca -0.02 -2.98 -0.02 0.00 -1.72 0.00 0.00 55.73 50.98 2ee8 s ARG 9 Cb -0.19 -3.22 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 2ee8 s ARG 9 CO -0.07 -1.23 0.12 -0.48 -0.68 0.00 0.00 175.30 172.95 2ee8 s LEU 10 N -0.92 4.11 -0.20 2.53 0.05 -1.26 -5.06 118.68 117.93 2ee8 s LEU 10 Ca 0.22 0.26 -0.29 0.00 0.05 0.00 0.00 54.13 54.38 2ee8 s LEU 10 Cb -0.12 -2.32 -0.03 0.00 -2.05 0.00 0.00 46.19 41.67 2ee8 s LEU 10 CO -0.11 0.30 1.59 -2.16 -0.55 0.00 0.00 176.35 175.42 2ee8 s PRO 11 N -1.63 3.88 0.33 1.48 0.04 -1.26 -4.99 135.00 132.85 2ee8 s PRO 11 Ca 0.22 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 2ee8 s PRO 11 Cb -0.12 -4.01 -0.09 0.00 0.04 0.00 0.00 34.50 30.32 2ee8 s PRO 11 CO 0.13 -1.19 1.10 0.45 0.04 0.00 0.00 177.00 177.52 2ee8 s SER 12 N 3.95 7.03 0.39 6.66 0.15 -1.26 -4.98 113.70 125.64 2ee8 s SER 12 Ca 0.70 2.22 -0.27 0.00 0.70 0.00 0.00 55.95 59.30 2ee8 s SER 12 Cb -0.26 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.33 2ee8 s SER 12 CO 0.28 -0.31 1.45 1.17 1.20 0.00 0.00 173.24 177.04 2ee8 n LYS 13 N 0.71 2.53 -0.18 5.44 3.00 -1.26 -4.92 118.16 123.48 2ee8 n LYS 13 Ca 0.01 0.89 -0.09 0.00 -0.00 0.00 0.00 58.31 59.12 2ee8 n LYS 13 Cb 0.46 -2.62 0.01 0.00 0.00 0.00 0.00 35.03 32.88 2ee8 n LYS 13 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2ee8 h THR 14 N 2.78 1.24 -3.85 3.15 1.35 -2.06 -3.46 112.91 112.06 2ee8 h THR 14 Ca -0.50 -0.88 -0.20 0.00 -0.55 0.00 0.00 66.41 64.28 2ee8 h THR 14 Cb 1.25 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 68.42 2ee8 h THR 14 CO 0.63 0.32 -0.09 -0.54 -0.25 0.00 0.00 175.52 175.59 2ee8 s LYS 15 N -5.28 1.93 -0.07 4.72 1.02 -1.26 -5.18 119.74 115.62 2ee8 s LYS 15 Ca -0.13 -1.63 -0.06 0.00 0.02 0.00 0.00 55.97 54.18 2ee8 s LYS 15 Cb 0.12 0.48 0.02 0.00 -0.52 0.00 0.00 37.83 37.93 2ee8 s LYS 15 CO 0.80 -0.82 0.18 0.21 -0.92 0.00 0.00 175.35 174.80 2ee8 s LYS 16 N -3.04 0.19 0.33 1.68 2.20 -1.26 -5.17 119.74 114.68 2ee8 s LYS 16 Ca 0.27 0.30 0.08 0.00 -0.36 0.00 0.00 55.97 56.26 2ee8 s LYS 16 Cb -0.01 0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.28 2ee8 s LYS 16 CO 0.17 -0.06 -0.06 -1.83 -0.36 0.00 0.00 175.35 173.21 2ee8 s GLU 17 N 0.38 1.76 0.29 4.03 -1.05 -1.26 -5.09 118.70 117.75 2ee8 s GLU 17 Ca -0.02 -1.92 0.11 0.00 -0.15 0.00 0.00 54.97 52.98 2ee8 s GLU 17 Cb -0.04 -1.51 -0.05 0.00 -0.44 0.00 0.00 34.13 32.10 2ee8 s GLU 17 CO -0.02 0.07 -0.10 -0.06 0.95 0.00 0.00 175.26 176.11 2ee8 s PHE 18 N -2.76 2.47 0.01 4.83 0.08 -1.26 -5.07 117.98 116.27 2ee8 s PHE 18 Ca 0.32 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.07 2ee8 s PHE 18 Cb 0.04 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 2ee8 s PHE 18 CO 0.15 0.65 -0.03 0.42 -0.10 0.00 0.00 175.22 176.31 2ee8 s ILE 19 N -2.45 0.21 1.00 0.64 1.01 -1.26 -3.27 121.20 117.09 2ee8 s ILE 19 Ca 0.31 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 2ee8 s ILE 19 Cb -0.04 -0.23 0.04 0.00 0.01 0.00 0.00 42.46 42.24 2ee8 s ILE 19 CO 0.17 -0.08 0.20 0.00 0.00 0.00 0.00 174.94 175.24 2ee8 n LYS 21 N -1.52 1.17 0.21 0.00 2.85 -1.26 -3.70 118.16 115.91 2ee8 n LYS 21 Ca 0.04 0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.19 2ee8 n LYS 21 Cb 0.56 -1.17 -0.08 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.47 0.00 5.58 0.04 -1.98 -3.39 116.94 116.72 2ee8 h PHE 22 Ca -0.18 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 2ee8 h PHE 22 Cb 1.33 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 2ee8 h PHE 22 CO 0.01 -0.21 -1.30 0.00 -0.60 0.00 0.00 178.31 176.21 2ee8 n GLY 24 N 2.82 -1.11 3.11 0.00 0.00 -1.24 -5.02 105.19 103.76 2ee8 n GLY 24 Ca -0.08 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.53 0.27 0.25 1.61 3.52 -1.26 -4.77 118.95 118.03 2ee8 s ARG 25 Ca 0.00 0.33 -0.25 0.00 -0.13 0.00 0.00 55.73 55.68 2ee8 s ARG 25 Cb 0.00 0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.42 2ee8 s ARG 25 CO 0.00 -0.04 0.84 -1.01 -0.81 0.00 0.00 175.30 174.28 2ee8 s HIS 26 N 0.17 3.77 0.15 5.12 3.76 -1.26 -1.25 115.29 125.74 2ee8 s HIS 26 Ca -0.00 1.65 0.05 0.00 -0.15 0.00 0.00 55.06 56.61 2ee8 s HIS 26 Cb -0.02 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 2ee8 s HIS 26 CO -0.00 0.35 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.07 2ee8 s PHE 27 N -1.42 1.32 -0.94 1.40 0.40 -1.20 -5.01 117.98 112.52 2ee8 s PHE 27 Ca 0.43 -0.72 0.17 0.00 -0.60 0.00 0.00 56.93 56.22 2ee8 s PHE 27 Cb -0.20 -0.66 -0.16 0.00 0.51 0.00 0.00 43.02 42.50 2ee8 s PHE 27 CO 0.25 0.12 0.77 -2.37 0.70 0.00 0.00 175.22 174.68 2ee8 n THR 28 N -0.14 0.00 -4.00 0.64 5.66 -1.26 -4.58 114.28 110.59 2ee8 n THR 28 Ca -0.10 -0.12 -0.21 0.00 -3.05 0.00 0.00 64.05 60.57 2ee8 n THR 28 Cb 0.60 1.03 -0.17 0.00 -1.55 0.00 0.00 70.33 70.25 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2ee8 s LYS 29 N -2.57 0.69 0.51 1.09 2.36 -1.26 -5.01 119.74 115.55 2ee8 s LYS 29 Ca 0.08 -0.01 0.33 0.00 -2.55 0.00 0.00 55.97 53.81 2ee8 s LYS 29 Cb 0.13 -0.84 1.46 0.00 -1.05 0.00 0.00 37.83 37.53 2ee8 s LYS 29 CO 0.68 -0.16 1.79 0.66 1.55 0.00 0.00 175.35 179.86 2ee8 h SER 30 N 7.57 0.10 0.04 1.43 4.64 -1.98 -0.82 113.55 124.53 2ee8 h SER 30 Ca -0.33 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2ee8 h SER 30 Cb 1.14 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ee8 h SER 30 CO 0.40 0.01 -0.02 0.22 -0.87 0.00 0.00 176.83 176.57 2ee8 h TYR 31 N 0.09 -0.05 -1.00 4.77 5.03 -2.01 -3.27 116.97 120.53 2ee8 h TYR 31 Ca 0.59 -0.00 0.29 0.00 2.58 0.00 0.00 58.73 62.19 2ee8 h TYR 31 Cb 2.15 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 40.41 2ee8 h TYR 31 CO -0.00 0.50 0.98 -0.91 -1.32 0.00 0.00 178.16 177.41 2ee8 h ASN 32 N -0.95 0.00 0.19 -2.11 4.21 -1.58 0.20 115.58 115.54 2ee8 h ASN 32 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2ee8 h ASN 32 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2ee8 h ASN 32 CO 0.01 0.00 -0.09 0.25 -1.29 0.00 0.00 177.43 176.31 2ee8 h LEU 33 N 0.00 -0.22 -1.03 1.61 5.85 -1.48 -3.16 115.31 116.88 2ee8 h LEU 33 Ca 0.48 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2ee8 h LEU 33 Cb 2.43 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 43.43 2ee8 h LEU 33 CO -0.01 0.30 0.63 0.17 -0.34 0.00 0.00 178.44 179.19 2ee8 h LEU 34 N -0.84 0.92 -1.78 2.25 8.10 -0.68 0.56 115.31 123.84 2ee8 h LEU 34 Ca -0.03 0.04 0.09 0.00 0.11 0.00 0.00 57.88 58.10 2ee8 h LEU 34 Cb 0.52 -0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 40.57 2ee8 h LEU 34 CO 0.04 0.49 0.32 0.40 -4.11 0.00 0.00 178.44 175.59 2ee8 h ILE 35 N 0.99 0.89 0.00 0.15 2.04 -1.42 0.11 117.51 120.26 2ee8 h ILE 35 Ca 0.49 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.26 2ee8 h ILE 35 Cb 0.48 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2ee8 h ILE 35 CO -0.25 0.05 -0.71 -0.74 0.00 0.00 0.00 178.15 176.49 2ee8 h HIS 36 N 0.26 0.00 0.00 1.37 2.76 -0.90 -3.31 115.15 115.32 2ee8 h HIS 36 Ca 0.22 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2ee8 h HIS 36 Cb 0.52 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2ee8 h HIS 36 CO -0.00 0.00 -0.72 0.93 -1.30 0.00 0.00 177.93 176.84 2ee8 h GLU 37 N 0.00 0.00 0.00 5.26 5.08 0.26 -3.27 114.58 121.91 2ee8 h GLU 37 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ee8 h GLU 37 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ee8 h GLU 37 CO 0.00 0.29 -0.18 0.07 -1.00 0.00 0.00 179.01 178.19 2ee8 h ARG 38 N 0.00 0.00 0.00 2.33 0.11 -1.12 -3.19 114.38 112.51 2ee8 h ARG 38 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2ee8 h ARG 38 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2ee8 h ARG 38 CO 0.04 0.09 0.00 0.00 0.10 0.00 0.00 179.97 180.20 2ee8 h THR 39 N 0.00 0.00 -0.16 0.08 1.03 -1.65 -3.18 112.91 109.04 2ee8 h THR 39 Ca -0.00 -0.85 -0.14 0.00 -0.01 0.00 0.00 66.41 65.40 2ee8 h THR 39 Cb 1.07 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 2ee8 h THR 39 CO 0.01 0.00 -0.50 0.45 -0.01 0.00 0.00 175.52 175.47 2ee8 h HIS 40 N 0.00 0.54 -0.56 0.00 3.86 -1.66 -3.44 115.15 113.88 2ee8 h HIS 40 Ca 0.00 -0.18 -0.64 0.00 -1.16 0.00 0.00 60.37 58.39 2ee8 h HIS 40 Cb 0.87 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 2ee8 h HIS 40 CO 0.00 0.85 1.49 0.25 0.86 0.00 0.00 177.93 181.38 2ee8 n THR 41 N -3.97 0.06 -1.69 2.45 -2.24 -1.20 -4.82 114.28 102.87 2ee8 n THR 41 Ca -0.02 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.14 2ee8 n THR 41 Cb 0.56 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 2ee8 n THR 41 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ee8 n ASP 42 N 9.90 3.05 -4.70 3.42 5.68 -1.26 -4.95 116.55 127.68 2ee8 n ASP 42 Ca 0.51 1.13 -0.39 0.00 -0.50 0.00 0.00 54.79 55.54 2ee8 n ASP 42 Cb 0.13 -1.46 -0.06 0.00 -1.14 0.00 0.00 41.12 38.59 2ee8 n ASP 42 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2ee8 s GLU 43 N -0.22 4.31 -0.16 0.11 -1.05 -1.26 -5.03 118.70 115.40 2ee8 s GLU 43 Ca 0.69 0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 55.74 2ee8 s GLU 43 Cb -0.62 -3.48 -0.03 0.00 -0.44 0.00 0.00 34.13 29.56 2ee8 s GLU 43 CO 0.47 0.04 1.52 -0.98 0.95 0.00 0.00 175.26 177.26 2ee8 s ARG 44 N 0.98 4.03 0.01 -4.83 1.70 -1.26 -4.92 118.95 114.66 2ee8 s ARG 44 Ca 0.28 1.79 -0.23 0.00 -0.47 0.00 0.00 55.73 57.10 2ee8 s ARG 44 Cb -0.16 -3.94 -0.17 0.00 -0.57 0.00 0.00 34.95 30.11 2ee8 s ARG 44 CO 0.11 -1.00 1.30 -1.00 -1.08 0.00 0.00 175.30 173.64 2ee8 h PRO 45 N 9.63 0.18 -6.24 3.89 0.13 -1.95 -3.41 132.00 134.23 2ee8 h PRO 45 Ca -0.33 -0.10 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 2ee8 h PRO 45 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2ee8 h PRO 45 CO 0.98 0.62 1.24 0.71 -0.23 0.00 0.00 178.00 181.32 2ee8 s TYR 46 N -4.27 1.94 -0.05 1.56 1.51 -1.26 -4.95 117.35 111.83 2ee8 s TYR 46 Ca -0.15 0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 56.54 2ee8 s TYR 46 Cb 0.03 -4.20 0.04 0.00 -0.11 0.00 0.00 41.96 37.72 2ee8 s TYR 46 CO 0.71 -2.41 0.09 0.99 -1.11 0.00 0.00 175.55 173.82 2ee8 s THR 47 N 7.22 -0.10 1.10 -0.71 2.01 -1.26 -3.73 115.64 120.17 2ee8 s THR 47 Ca 0.68 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.78 2ee8 s THR 47 Cb -0.16 -0.18 0.28 0.00 0.01 0.00 0.00 72.50 72.46 2ee8 s THR 47 CO 0.28 0.12 0.63 0.00 -0.69 0.00 0.00 174.62 174.95 2ee8 n ASP 49 N -4.67 2.22 0.00 0.00 8.00 -1.26 -4.42 116.55 116.42 2ee8 n ASP 49 Ca 0.10 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2ee8 n ASP 49 Cb 0.44 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 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 -1.67 0.00 0.29 0.53 5.41 -1.26 -4.73 119.36 117.92 2ee8 n ILE 50 Ca -0.01 0.06 0.09 0.00 1.00 0.00 0.00 62.75 63.89 2ee8 n ILE 50 Cb 0.22 -0.92 0.40 0.00 -0.71 0.00 0.00 39.64 38.63 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 -1.96 -1.85 -2.33 0.00 -0.00 -1.26 -4.95 115.22 102.85 2ee8 n HIS 52 Ca 0.01 0.81 -0.25 0.00 0.46 0.00 0.00 57.72 58.75 2ee8 n HIS 52 Cb 0.13 -3.61 0.10 0.00 -0.12 0.00 0.00 29.99 26.49 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ee8 s LYS 53 N -6.63 1.72 0.01 1.57 1.02 -1.26 -4.67 119.74 111.50 2ee8 s LYS 53 Ca 0.39 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.80 2ee8 s LYS 53 Cb -0.20 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2ee8 s LYS 53 CO 0.88 -1.50 -0.26 0.00 -0.92 0.00 0.00 175.35 173.55 2ee8 s ALA 54 N -3.29 2.18 0.18 5.17 0.00 -1.26 -2.35 121.76 122.39 2ee8 s ALA 54 Ca 0.65 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2ee8 s ALA 54 Cb -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2ee8 s ALA 54 CO 0.46 0.53 0.05 -0.06 0.00 0.00 0.00 175.76 176.73 2ee8 s PHE 55 N -0.71 1.15 -0.18 0.00 0.40 -1.24 -5.06 117.98 112.33 2ee8 s PHE 55 Ca 0.11 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.29 2ee8 s PHE 55 Cb -0.10 -0.64 -0.12 0.00 0.51 0.00 0.00 43.02 42.67 2ee8 s PHE 55 CO 0.01 -0.38 -0.16 2.89 0.70 0.00 0.00 175.22 178.27 2ee8 n ARG 56 N -0.23 0.46 -4.06 0.44 1.85 -1.26 -4.67 116.66 109.19 2ee8 n ARG 56 Ca -0.04 0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.57 2ee8 n ARG 56 Cb 0.64 -1.36 -0.07 0.00 -1.05 0.00 0.00 32.46 30.62 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ee8 s ARG 57 N -2.36 3.20 0.02 2.89 0.52 -1.26 -5.03 118.95 116.92 2ee8 s ARG 57 Ca -0.25 -0.37 -0.25 0.00 -0.52 0.00 0.00 55.73 54.34 2ee8 s ARG 57 Cb 0.06 -2.96 -0.17 0.00 0.52 0.00 0.00 34.95 32.40 2ee8 s ARG 57 CO 0.42 0.69 1.31 1.96 0.02 0.00 0.00 175.30 179.70 2ee8 h GLN 58 N 4.36 -0.34 -0.84 3.54 7.50 -1.99 -2.57 115.11 124.76 2ee8 h GLN 58 Ca -0.50 0.02 0.19 0.00 0.50 0.00 0.00 58.65 58.85 2ee8 h GLN 58 Cb 1.19 0.08 -0.16 0.00 0.05 0.00 0.00 27.48 28.65 2ee8 h GLN 58 CO 0.62 -0.04 -0.12 -0.44 -1.50 0.00 0.00 178.83 177.35 2ee8 h ASP 59 N -0.66 -0.63 -0.31 1.46 3.32 -1.99 0.38 116.42 118.00 2ee8 h ASP 59 Ca -0.04 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2ee8 h ASP 59 Cb 0.46 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2ee8 h ASP 59 CO 0.06 -0.27 0.18 0.45 -1.72 0.00 0.00 179.24 177.94 2ee8 h HIS 60 N 0.03 0.41 -0.73 4.55 3.86 -1.98 0.11 115.15 121.40 2ee8 h HIS 60 Ca 0.44 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 2ee8 h HIS 60 Cb 0.74 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 2ee8 h HIS 60 CO -0.58 0.32 0.42 1.25 0.86 0.00 0.00 177.93 180.20 2ee8 h LEU 61 N 0.39 0.89 0.27 2.43 5.85 -0.16 0.38 115.31 125.35 2ee8 h LEU 61 Ca 0.11 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2ee8 h LEU 61 Cb 0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2ee8 h LEU 61 CO -0.02 0.70 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.56 2ee8 h ARG 62 N 1.01 -0.34 -0.58 1.25 2.43 -0.03 -3.11 114.38 115.01 2ee8 h ARG 62 Ca 0.26 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2ee8 h ARG 62 Cb -0.01 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2ee8 h ARG 62 CO -0.05 0.01 0.34 0.22 -1.51 0.00 0.00 179.97 178.98 2ee8 h ASP 63 N -0.90 0.68 -0.71 -3.80 3.58 -0.71 -2.44 116.42 112.13 2ee8 h ASP 63 Ca -0.04 -0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.48 2ee8 h ASP 63 Cb 0.51 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.31 2ee8 h ASP 63 CO 0.06 0.53 0.33 -0.74 -2.88 0.00 0.00 179.24 176.54 2ee8 h HIS 64 N 0.79 0.59 -0.50 0.28 2.76 -0.27 -0.20 115.15 118.61 2ee8 h HIS 64 Ca 0.21 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.55 2ee8 h HIS 64 Cb -0.03 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 2ee8 h HIS 64 CO 0.00 0.19 0.95 0.00 -1.30 0.00 0.00 177.93 177.78 2ee8 h ARG 65 N 0.56 0.00 -0.94 5.26 3.08 -1.36 0.35 114.38 121.33 2ee8 h ARG 65 Ca 0.36 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.55 2ee8 h ARG 65 Cb 0.41 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 2ee8 h ARG 65 CO -0.29 0.00 0.55 -0.92 -1.07 0.00 0.00 179.97 178.24 2ee8 h TYR 66 N 0.00 0.99 -0.31 3.04 5.03 -1.19 0.20 116.97 124.73 2ee8 h TYR 66 Ca 0.24 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.67 2ee8 h TYR 66 Cb 2.14 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 40.11 2ee8 h TYR 66 CO 0.00 0.32 0.41 -0.84 -1.32 0.00 0.00 178.16 176.72 2ee8 h ILE 67 N 0.82 0.30 0.05 1.81 3.07 -0.51 -1.53 117.51 121.51 2ee8 h ILE 67 Ca 0.50 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.64 2ee8 h ILE 67 Cb 0.62 0.66 -0.02 0.00 -0.27 0.00 0.00 36.82 37.80 2ee8 h ILE 67 CO -0.32 0.00 -1.42 0.45 -1.05 0.00 0.00 178.15 175.82 2ee8 h HIS 68 N 0.00 0.18 0.00 0.16 3.86 -0.81 -3.46 115.15 115.08 2ee8 h HIS 68 Ca 0.14 -0.13 -0.57 0.00 -1.16 0.00 0.00 60.37 58.65 2ee8 h HIS 68 Cb 0.96 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.38 2ee8 h HIS 68 CO 0.00 1.56 1.12 0.45 0.86 0.00 0.00 177.93 181.92 2ee8 n SER 69 N -4.14 0.52 -4.71 2.45 2.88 -0.58 -4.79 113.62 105.26 2ee8 n SER 69 Ca -0.30 0.46 -0.40 0.00 -1.33 0.00 0.00 58.87 57.30 2ee8 n SER 69 Cb 0.79 -0.72 0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2ee8 n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2ee8 n LYS 70 N 6.14 1.77 -3.89 -1.46 4.01 -1.26 -5.01 118.16 118.46 2ee8 n LYS 70 Ca 0.46 0.64 -0.26 0.00 -0.51 0.00 0.00 58.31 58.64 2ee8 n LYS 70 Cb -0.02 -2.44 -0.17 0.00 -0.51 0.00 0.00 35.03 31.89 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2ee8 s GLU 71 N -2.49 1.33 0.40 1.97 2.02 -1.26 -5.13 118.70 115.54 2ee8 s GLU 71 Ca 0.66 -0.18 -0.26 0.00 0.02 0.00 0.00 54.97 55.21 2ee8 s GLU 71 Cb -0.47 -1.45 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 2ee8 s GLU 71 CO 0.54 -0.27 1.25 0.15 0.02 0.00 0.00 175.26 176.95 2ee8 s LYS 72 N 1.74 4.02 -0.02 1.61 3.01 -1.26 -4.97 119.74 123.87 2ee8 s LYS 72 Ca 0.04 2.04 -0.26 0.00 -1.01 0.00 0.00 55.97 56.79 2ee8 s LYS 72 Cb -0.13 -2.75 -0.20 0.00 -1.01 0.00 0.00 37.83 33.75 2ee8 s LYS 72 CO -0.07 -0.41 1.24 -1.00 0.51 0.00 0.00 175.35 175.62 2ee8 h PRO 73 N 2.71 -0.04 -2.32 -1.68 0.13 -2.02 -3.44 132.00 125.33 2ee8 h PRO 73 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2ee8 h PRO 73 Cb 1.24 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 2ee8 h PRO 73 CO 0.63 0.43 -0.43 -0.59 -0.23 0.00 0.00 178.00 177.81 2ee8 s PHE 74 N -4.23 -0.76 0.08 1.56 -0.12 -1.26 -5.16 117.98 108.10 2ee8 s PHE 74 Ca -0.16 1.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.98 2ee8 s PHE 74 Cb 0.02 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 2ee8 s PHE 74 CO 0.65 -0.56 -0.19 -1.59 -0.05 0.00 0.00 175.22 173.48 2ee8 s LYS 75 N 2.56 1.13 0.59 1.99 -2.85 -1.26 -4.94 119.74 116.96 2ee8 s LYS 75 Ca 0.04 -1.06 -0.17 0.00 -1.00 0.00 0.00 55.97 53.79 2ee8 s LYS 75 Cb -0.13 -1.31 -0.03 0.00 -2.06 0.00 0.00 37.83 34.29 2ee8 s LYS 75 CO -0.13 0.31 1.09 0.00 0.10 0.00 0.00 175.35 176.72 2ee8 n GLN 77 N -1.87 0.68 0.34 0.00 -0.06 -1.26 -2.78 117.38 112.43 2ee8 n GLN 77 Ca 0.10 0.21 -0.15 0.00 -2.00 0.00 0.00 57.00 55.15 2ee8 n GLN 77 Cb 0.52 -1.59 -0.08 0.00 -4.06 0.00 0.00 30.24 25.03 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 -0.07 -0.92 0.00 3.69 4.39 -2.02 -3.38 114.58 116.27 2ee8 h GLU 78 Ca -0.53 0.06 -0.34 0.00 0.34 0.00 0.00 59.36 58.89 2ee8 h GLU 78 Cb 1.91 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 30.71 2ee8 h GLU 78 CO -0.06 -0.61 -2.25 0.00 -1.16 0.00 0.00 179.01 174.94 2ee8 n GLY 80 N 2.22 0.12 3.83 0.00 0.00 -1.12 -5.00 105.19 105.25 2ee8 n GLY 80 Ca -0.40 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.45 2.06 -0.76 1.61 -0.14 -1.26 -4.80 119.74 112.01 2ee8 s LYS 81 Ca 0.01 0.49 -0.03 0.00 -1.36 0.00 0.00 55.97 55.09 2ee8 s LYS 81 Cb -0.00 -1.93 0.24 0.00 -1.68 0.00 0.00 37.83 34.46 2ee8 s LYS 81 CO 0.29 -1.60 2.29 0.41 -0.76 0.00 0.00 175.35 175.97 2ee8 n GLY 82 N -2.41 5.16 3.29 -3.33 0.00 -1.26 -4.52 105.19 102.12 2ee8 n GLY 82 Ca 0.07 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 0.11 -2.45 -0.11 1.61 3.01 -1.26 -4.95 117.46 113.42 2ee8 n PHE 83 Ca 0.52 0.36 -0.21 0.00 1.01 0.00 0.00 57.45 59.14 2ee8 n PHE 83 Cb 0.34 -1.74 -0.09 0.00 -0.01 0.00 0.00 39.48 37.98 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 -2.42 1.56 -0.14 0.00 1.11 -1.26 -5.07 119.66 113.44 2ee8 s GLN 85 Ca -0.31 -0.81 -0.11 0.00 0.01 0.00 0.00 55.36 54.13 2ee8 s GLN 85 Cb 0.10 -2.21 -0.04 0.00 -1.01 0.00 0.00 33.01 29.86 2ee8 s GLN 85 CO 0.44 -1.60 -0.22 0.43 0.01 0.00 0.00 175.29 174.35 2ee8 n SER 86 N -3.03 1.71 -0.26 5.90 7.64 -1.26 -4.40 113.62 119.92 2ee8 n SER 86 Ca 0.14 0.49 -0.04 0.00 1.01 0.00 0.00 58.87 60.47 2ee8 n SER 86 Cb 0.60 -0.80 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 2ee8 n SER 86 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2ee8 h ARG 87 N -0.92 -0.11 -0.79 1.43 2.43 -2.00 -0.40 114.38 114.02 2ee8 h ARG 87 Ca 0.00 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 2ee8 h ARG 87 Cb 0.64 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.08 2ee8 h ARG 87 CO 0.00 -0.08 -0.28 0.25 -1.51 0.00 0.00 179.97 178.35 2ee8 n THR 88 N -5.44 -0.40 -0.19 0.20 -2.24 -1.26 0.15 114.28 105.11 2ee8 n THR 88 Ca 0.06 1.85 -0.05 0.00 -2.27 0.00 0.00 64.05 63.64 2ee8 n THR 88 Cb 0.37 -2.47 0.05 0.00 -2.10 0.00 0.00 70.33 66.18 2ee8 n THR 88 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ee8 h LEU 89 N 0.00 0.50 -1.27 3.22 5.85 -1.28 0.14 115.31 122.46 2ee8 h LEU 89 Ca 0.30 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.18 2ee8 h LEU 89 Cb 0.50 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2ee8 h LEU 89 CO -0.80 0.34 0.58 0.00 -0.34 0.00 0.00 178.44 178.23 2ee8 h ALA 90 N 1.26 1.82 0.01 1.25 0.00 0.16 -2.21 119.26 121.55 2ee8 h ALA 90 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ee8 h ALA 90 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ee8 h ALA 90 CO -0.12 -0.07 -0.00 0.28 0.00 0.00 0.00 179.25 179.33 2ee8 h VAL 91 N 0.70 0.92 -0.99 0.00 2.07 -0.40 -3.33 116.25 115.22 2ee8 h VAL 91 Ca 0.46 -1.67 0.38 0.00 0.82 0.00 0.00 66.70 66.69 2ee8 h VAL 91 Cb 0.73 1.73 -0.18 0.00 -1.52 0.00 0.00 31.29 32.05 2ee8 h VAL 91 CO -0.21 0.31 0.40 1.57 0.02 0.00 0.00 177.57 179.66 2ee8 n HIS 92 N -4.70 1.02 -0.29 1.57 -0.00 0.39 0.13 115.22 113.35 2ee8 n HIS 92 Ca -0.05 1.17 0.20 0.00 -0.00 0.00 0.00 57.72 59.04 2ee8 n HIS 92 Cb 0.25 -1.48 0.38 0.00 -0.00 0.00 0.00 29.99 29.14 2ee8 n HIS 92 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2ee8 n LYS 93 N -5.29 -0.06 0.18 1.57 5.02 -0.85 0.66 118.16 119.39 2ee8 n LYS 93 Ca 0.34 1.25 -0.14 0.00 -2.02 0.00 0.00 58.31 57.73 2ee8 n LYS 93 Cb 1.14 -2.10 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2ee8 h THR 94 N 0.00 0.58 -1.68 -0.18 1.35 -0.54 -2.12 112.91 110.32 2ee8 h THR 94 Ca 0.63 0.00 0.50 0.00 -0.55 0.00 0.00 66.41 66.99 2ee8 h THR 94 Cb 1.52 0.58 -0.08 0.00 -1.73 0.00 0.00 68.15 68.43 2ee8 h THR 94 CO -0.74 0.00 1.19 0.18 -0.25 0.00 0.00 175.52 175.90 2ee8 n LEU 95 N -5.33 0.04 -2.42 3.87 4.32 0.21 0.38 117.00 118.07 2ee8 n LEU 95 Ca -0.09 0.98 -0.26 0.00 -0.02 0.00 0.00 56.01 56.62 2ee8 n LEU 95 Cb 0.24 -0.49 -0.05 0.00 -1.62 0.00 0.00 43.42 41.50 2ee8 n LEU 95 CO 0.32 -1.00 1.55 1.41 -1.22 0.00 0.00 177.39 178.45 2ee8 n HIS 96 N -3.90 1.56 -5.15 -1.77 8.25 -0.80 -4.90 115.22 108.52 2ee8 n HIS 96 Ca 0.40 -1.94 -0.32 0.00 -0.26 0.00 0.00 57.72 55.60 2ee8 n HIS 96 Cb 1.75 -1.35 -0.16 0.00 1.12 0.00 0.00 29.99 31.35 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 s MET 97 N -1.68 2.70 -0.30 -0.41 0.23 0.16 -5.07 119.30 114.94 2ee8 s MET 97 Ca 0.57 -0.85 -0.16 0.00 -1.03 0.00 0.00 55.69 54.22 2ee8 s MET 97 Cb 0.37 -2.27 0.17 0.00 -1.53 0.00 0.00 34.83 31.57 2ee8 s MET 97 CO -0.20 0.37 1.05 1.14 -2.03 0.00 0.00 175.02 175.35 2ee8 s GLN 98 N -0.12 0.25 -0.23 3.16 -2.07 -1.26 -5.14 119.66 114.25 2ee8 s GLN 98 Ca -0.04 0.59 -0.06 0.00 -1.82 0.00 0.00 55.36 54.04 2ee8 s GLN 98 Cb -0.14 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2ee8 s GLN 98 CO 0.04 -0.08 0.02 0.99 -1.32 0.00 0.00 175.29 174.94 2ee8 s THR 99 N 2.17 3.99 -0.11 3.63 2.01 -1.26 -5.01 115.64 121.07 2ee8 s THR 99 Ca -0.03 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 2ee8 s THR 99 Cb -0.05 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2ee8 s THR 99 CO -0.17 0.39 -0.10 -1.28 -0.69 0.00 0.00 174.62 172.77 2ee8 h SER 100 N 7.96 0.00 -1.25 3.53 0.87 -2.07 -3.47 113.55 119.12 2ee8 h SER 100 Ca -0.38 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.41 2ee8 h SER 100 Cb 1.17 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.17 2ee8 h SER 100 CO 0.60 0.58 0.35 -1.54 -0.53 0.00 0.00 176.83 176.28 2ee8 n SER 101 N -4.36 0.89 0.26 6.23 3.41 -1.26 -4.82 113.62 113.96 2ee8 n SER 101 Ca -0.04 1.14 0.14 0.00 -0.26 0.00 0.00 58.87 59.86 2ee8 n SER 101 Cb 0.15 -1.01 0.62 0.00 -0.26 0.00 0.00 64.21 63.70 2ee8 n SER 101 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2ee8 h PRO 102 N 4.17 0.00 -6.84 4.33 0.13 -2.02 -3.46 132.00 128.30 2ee8 h PRO 102 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2ee8 h PRO 102 Cb 1.38 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.27 2ee8 h PRO 102 CO 0.77 0.10 -0.85 2.41 -0.23 0.00 0.00 178.00 180.20 2ee8 n THR 103 N -3.27 -0.87 -0.24 1.56 -1.04 -1.26 -4.81 114.28 104.35 2ee8 n THR 103 Ca 0.00 -0.03 0.03 0.00 -2.04 0.00 0.00 64.05 62.02 2ee8 n THR 103 Cb 0.34 -1.46 0.16 0.00 -1.82 0.00 0.00 70.33 67.55 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ee8 h ALA 104 N 0.90 0.93 -2.31 2.41 0.00 -2.01 -3.45 119.26 115.73 2ee8 h ALA 104 Ca -0.59 0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.63 2ee8 h ALA 104 Cb 1.38 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 2ee8 h ALA 104 CO 0.80 -0.25 0.56 0.00 0.00 0.00 0.00 179.25 180.36 2ee8 s ALA 105 N -6.05 -1.69 0.00 0.00 0.00 -1.26 -5.34 121.76 107.42 2ee8 s ALA 105 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2ee8 s ALA 105 Cb 0.20 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2ee8 s ALA 105 CO 0.75 -1.05 0.00 -1.13 0.00 0.00 0.00 175.76 174.33