#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 -0.20 0.33 1.61 1.04 -1.26 -5.19 113.70 110.04 2ee8 s SER 2 Ca 0.00 0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.68 2ee8 s SER 2 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2ee8 s SER 2 CO 0.00 -0.19 0.20 -0.44 0.98 0.00 0.00 173.24 173.79 2ee8 s SER 3 N -1.11 1.79 0.34 7.02 0.01 -1.26 -5.18 113.70 115.30 2ee8 s SER 3 Ca 0.04 -1.66 -0.12 0.00 1.31 0.00 0.00 55.95 55.52 2ee8 s SER 3 Cb -0.01 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.74 2ee8 s SER 3 CO -0.03 -0.97 0.63 -0.83 0.41 0.00 0.00 173.24 172.44 2ee8 s GLY 4 N -3.41 0.71 -0.27 3.44 0.00 -1.26 -5.18 107.32 101.34 2ee8 s GLY 4 Ca 0.35 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 2ee8 s GLY 4 CO 0.21 -0.56 1.23 -0.45 0.00 0.00 0.00 173.10 173.53 2ee8 s SER 5 N -3.10 -0.23 -0.03 1.64 0.15 -1.26 -5.18 113.70 105.69 2ee8 s SER 5 Ca 0.21 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 57.11 2ee8 s SER 5 Cb -0.03 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2ee8 s SER 5 CO 0.13 -0.11 0.33 -0.55 1.20 0.00 0.00 173.24 174.25 2ee8 s SER 6 N -0.17 -0.23 0.00 5.45 0.15 -1.26 -5.17 113.70 112.47 2ee8 s SER 6 Ca 0.05 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2ee8 s SER 6 Cb -0.04 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2ee8 s SER 6 CO -0.09 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2ee8 n GLY 7 N 1.39 3.86 0.00 9.45 0.00 -1.26 -5.18 105.19 113.46 2ee8 n GLY 7 Ca -0.21 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 3.36 3.57 -0.02 0.00 -1.26 -5.19 105.19 105.65 2ee8 n GLY 8 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2ee8 n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ee8 s ARG 9 N -1.66 0.64 -0.29 1.61 3.03 -1.26 -5.17 118.95 115.85 2ee8 s ARG 9 Ca 0.00 0.13 -0.14 0.00 2.03 0.00 0.00 55.73 57.75 2ee8 s ARG 9 Cb 0.00 0.30 0.11 0.00 -1.03 0.00 0.00 34.95 34.33 2ee8 s ARG 9 CO 0.00 -0.20 0.74 -0.48 -1.13 0.00 0.00 175.30 174.22 2ee8 s LEU 10 N -1.19 -0.92 -0.01 -1.89 2.34 -1.26 -5.06 118.68 110.69 2ee8 s LEU 10 Ca -0.02 1.39 -0.25 0.00 0.06 0.00 0.00 54.13 55.31 2ee8 s LEU 10 Cb -0.00 2.23 -0.19 0.00 -0.56 0.00 0.00 46.19 47.67 2ee8 s LEU 10 CO 0.02 -0.21 1.28 1.55 -1.06 0.00 0.00 176.35 177.93 2ee8 h PRO 11 N 7.16 0.07 -6.36 1.48 0.13 -2.09 -3.46 132.00 128.93 2ee8 h PRO 11 Ca -0.26 -0.04 -0.49 0.00 -0.87 0.00 0.00 66.00 64.34 2ee8 h PRO 11 Cb 1.18 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 2ee8 h PRO 11 CO 0.14 0.54 -0.72 -1.13 -0.23 0.00 0.00 178.00 176.60 2ee8 n SER 12 N -4.79 -1.06 -4.77 1.44 3.41 -1.26 -4.81 113.62 101.78 2ee8 n SER 12 Ca -0.08 -0.98 -0.39 0.00 -0.26 0.00 0.00 58.87 57.16 2ee8 n SER 12 Cb 0.27 -1.25 -0.01 0.00 -0.26 0.00 0.00 64.21 62.96 2ee8 n SER 12 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ee8 s LYS 13 N -5.99 3.98 -0.29 4.33 2.47 -1.26 -5.03 119.74 117.95 2ee8 s LYS 13 Ca 0.55 2.01 -0.14 0.00 -1.56 0.00 0.00 55.97 56.82 2ee8 s LYS 13 Cb -0.32 -2.70 0.12 0.00 -1.46 0.00 0.00 37.83 33.47 2ee8 s LYS 13 CO 0.80 -0.43 0.80 -0.08 0.16 0.00 0.00 175.35 176.60 2ee8 s THR 14 N -1.33 -0.31 0.03 3.43 -1.32 -1.26 -5.07 115.64 109.80 2ee8 s THR 14 Ca 0.57 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.03 2ee8 s THR 14 Cb -0.35 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.63 2ee8 s THR 14 CO 0.44 0.00 -0.05 1.17 -2.21 0.00 0.00 174.62 173.97 2ee8 n LYS 15 N 4.53 0.07 -2.54 7.08 4.81 -1.26 -5.01 118.16 125.85 2ee8 n LYS 15 Ca -0.16 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.16 2ee8 n LYS 15 Cb 0.55 -0.63 -0.00 0.00 0.02 0.00 0.00 35.03 34.97 2ee8 n LYS 15 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ee8 n LYS 16 N -3.47 -2.36 -0.87 1.64 4.76 -1.26 -4.93 118.16 111.66 2ee8 n LYS 16 Ca -0.04 0.68 -0.29 0.00 -2.87 0.00 0.00 58.31 55.79 2ee8 n LYS 16 Cb 0.23 -5.31 0.24 0.00 -1.84 0.00 0.00 35.03 28.34 2ee8 n LYS 16 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2ee8 s GLU 17 N -5.15 -1.11 0.11 1.97 -1.05 -1.26 -5.00 118.70 107.21 2ee8 s GLU 17 Ca 0.05 0.28 0.08 0.00 -0.15 0.00 0.00 54.97 55.23 2ee8 s GLU 17 Cb -0.02 -1.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.05 2ee8 s GLU 17 CO 0.06 -3.71 -0.20 -0.06 0.95 0.00 0.00 175.26 172.29 2ee8 s PHE 18 N -2.75 1.79 -0.05 4.83 0.08 -1.26 -5.07 117.98 115.53 2ee8 s PHE 18 Ca 0.69 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2ee8 s PHE 18 Cb -0.16 -0.96 -0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2ee8 s PHE 18 CO 0.58 0.22 -0.18 0.42 -0.10 0.00 0.00 175.22 176.17 2ee8 s ILE 19 N -1.32 1.49 1.06 0.64 1.01 -1.26 -3.86 121.20 118.96 2ee8 s ILE 19 Ca 0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 2ee8 s ILE 19 Cb -0.09 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2ee8 s ILE 19 CO 0.05 0.43 -0.28 0.00 0.00 0.00 0.00 174.94 175.14 2ee8 n LYS 21 N -0.83 1.27 0.15 0.00 2.85 -1.26 -3.74 118.16 116.61 2ee8 n LYS 21 Ca 0.01 0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 2ee8 n LYS 21 Cb 0.63 -1.12 -0.08 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.35 0.00 5.58 0.04 -2.01 -3.38 116.94 116.82 2ee8 h PHE 22 Ca -0.13 -0.01 -0.28 0.00 2.80 0.00 0.00 57.97 60.36 2ee8 h PHE 22 Cb 1.23 0.12 -0.05 0.00 2.20 0.00 0.00 35.95 39.44 2ee8 h PHE 22 CO 0.00 -0.05 -2.05 0.00 -0.60 0.00 0.00 178.31 175.61 2ee8 n GLY 24 N 2.33 1.15 3.58 0.00 0.00 -1.24 -5.03 105.19 105.97 2ee8 n GLY 24 Ca -0.29 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2ee8 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ee8 s ARG 25 N -2.55 -0.71 -0.00 1.61 0.52 -1.26 -4.64 118.95 111.92 2ee8 s ARG 25 Ca 0.00 0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.61 2ee8 s ARG 25 Cb 0.00 -1.62 -0.03 0.00 0.52 0.00 0.00 34.95 33.82 2ee8 s ARG 25 CO 0.00 -3.46 -0.17 -1.01 0.02 0.00 0.00 175.30 170.68 2ee8 s HIS 26 N -2.82 2.61 -0.01 -0.53 3.76 -1.26 -2.72 115.29 114.32 2ee8 s HIS 26 Ca 0.68 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.37 2ee8 s HIS 26 Cb -0.17 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.00 2ee8 s HIS 26 CO 0.59 0.21 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.61 2ee8 s PHE 27 N -0.83 0.22 -0.87 1.40 0.40 -1.25 -5.02 117.98 112.04 2ee8 s PHE 27 Ca 0.13 -0.01 0.27 0.00 -0.60 0.00 0.00 56.93 56.73 2ee8 s PHE 27 Cb -0.11 -0.23 1.02 0.00 0.51 0.00 0.00 43.02 44.22 2ee8 s PHE 27 CO 0.03 -0.05 1.85 -2.37 0.70 0.00 0.00 175.22 175.38 2ee8 n THR 28 N 3.50 0.30 -3.87 0.64 5.66 -1.26 -4.41 114.28 114.85 2ee8 n THR 28 Ca -0.19 -0.14 -0.14 0.00 -3.05 0.00 0.00 64.05 60.54 2ee8 n THR 28 Cb 0.55 -0.55 -0.15 0.00 -1.55 0.00 0.00 70.33 68.64 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 -3.05 0.05 0.15 1.09 2.20 -1.26 -4.98 119.74 113.94 2ee8 s LYS 29 Ca 0.12 0.05 -0.20 0.00 -0.36 0.00 0.00 55.97 55.59 2ee8 s LYS 29 Cb 0.16 -0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2ee8 s LYS 29 CO 0.56 -0.06 1.66 1.03 -0.36 0.00 0.00 175.35 178.18 2ee8 h SER 30 N 6.63 -0.53 -0.97 1.43 0.87 -1.93 -0.99 113.55 118.06 2ee8 h SER 30 Ca -0.33 0.12 0.20 0.00 -1.23 0.00 0.00 61.79 60.54 2ee8 h SER 30 Cb 1.17 0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 63.30 2ee8 h SER 30 CO 0.50 -0.20 0.55 0.22 -0.53 0.00 0.00 176.83 177.37 2ee8 h TYR 31 N -0.13 0.96 -0.09 2.24 5.03 -1.99 0.47 116.97 123.45 2ee8 h TYR 31 Ca 0.15 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.52 2ee8 h TYR 31 Cb 0.35 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 2ee8 h TYR 31 CO -0.34 0.15 0.07 -0.97 -1.32 0.00 0.00 178.16 175.75 2ee8 h ASN 32 N 0.66 0.00 0.09 -2.11 -0.73 -1.60 -2.40 115.58 109.49 2ee8 h ASN 32 Ca 0.58 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.74 2ee8 h ASN 32 Cb 0.96 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.55 2ee8 h ASN 32 CO -0.42 0.00 -0.04 0.25 -0.37 0.00 0.00 177.43 176.84 2ee8 h LEU 33 N 0.00 -0.11 -1.11 0.34 5.85 0.10 -2.97 115.31 117.42 2ee8 h LEU 33 Ca 0.04 -0.45 0.16 0.00 0.84 0.00 0.00 57.88 58.46 2ee8 h LEU 33 Cb 0.19 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2ee8 h LEU 33 CO -0.00 0.45 0.61 0.17 -0.34 0.00 0.00 178.44 179.33 2ee8 h LEU 34 N -0.72 0.78 -0.66 2.25 8.10 -1.21 0.12 115.31 123.98 2ee8 h LEU 34 Ca -0.01 0.06 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2ee8 h LEU 34 Cb 0.55 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.66 2ee8 h LEU 34 CO 0.02 0.36 0.34 0.40 -4.11 0.00 0.00 178.44 175.45 2ee8 h ILE 35 N 0.81 1.21 -0.11 0.15 2.04 -1.46 -3.00 117.51 117.14 2ee8 h ILE 35 Ca 0.51 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 2ee8 h ILE 35 Cb 0.74 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2ee8 h ILE 35 CO -0.29 0.24 -0.16 -0.74 0.00 0.00 0.00 178.15 177.20 2ee8 h HIS 36 N 0.90 0.38 -1.26 1.37 2.76 -0.93 -3.13 115.15 115.24 2ee8 h HIS 36 Ca 0.23 -0.13 0.39 0.00 -2.20 0.00 0.00 60.37 58.66 2ee8 h HIS 36 Cb 0.07 -0.07 -0.11 0.00 1.55 0.00 0.00 27.41 28.85 2ee8 h HIS 36 CO -0.00 0.76 0.82 0.93 -1.30 0.00 0.00 177.93 179.14 2ee8 h GLU 37 N -0.11 0.16 -0.30 5.26 5.08 -0.73 0.11 114.58 124.04 2ee8 h GLU 37 Ca 0.01 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2ee8 h GLU 37 Cb 0.72 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 2ee8 h GLU 37 CO 0.04 0.10 -0.26 0.00 -1.00 0.00 0.00 179.01 177.89 2ee8 h ARG 38 N 0.16 -0.23 -0.82 2.33 3.08 -1.46 -0.66 114.38 116.78 2ee8 h ARG 38 Ca 0.75 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.98 2ee8 h ARG 38 Cb 2.30 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 32.30 2ee8 h ARG 38 CO -0.34 -0.15 0.35 1.79 -1.07 0.00 0.00 179.97 180.54 2ee8 h THR 39 N -0.24 0.60 -0.25 2.04 1.35 -0.95 -0.92 112.91 114.55 2ee8 h THR 39 Ca 0.15 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2ee8 h THR 39 Cb 0.48 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 2ee8 h THR 39 CO -0.44 0.08 0.13 0.45 -0.25 0.00 0.00 175.52 175.49 2ee8 h HIS 40 N 0.46 0.35 -0.53 4.73 3.86 -1.19 -3.35 115.15 119.48 2ee8 h HIS 40 Ca 0.47 -0.01 -0.33 0.00 -1.16 0.00 0.00 60.37 59.34 2ee8 h HIS 40 Cb 0.77 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 2ee8 h HIS 40 CO -0.15 0.31 1.02 0.95 0.86 0.00 0.00 177.93 180.92 2ee8 s THR 41 N -5.82 3.54 -0.22 2.45 -4.23 -0.35 -4.57 115.64 106.44 2ee8 s THR 41 Ca -0.13 -0.82 0.19 0.00 -1.18 0.00 0.00 61.69 59.75 2ee8 s THR 41 Cb 0.08 -4.46 0.48 0.00 1.34 0.00 0.00 72.50 69.94 2ee8 s THR 41 CO 0.71 -1.00 1.15 -0.67 -0.54 0.00 0.00 174.62 174.26 2ee8 n ASP 42 N 14.17 2.22 -0.01 3.99 2.03 -1.26 -4.78 116.55 132.93 2ee8 n ASP 42 Ca 0.44 -2.53 0.08 0.00 0.52 0.00 0.00 54.79 53.29 2ee8 n ASP 42 Cb 0.47 -0.42 -0.12 0.00 -0.72 0.00 0.00 41.12 40.33 2ee8 n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ee8 n GLU 43 N -0.47 0.71 -3.88 -0.67 1.02 -1.26 -4.85 120.64 111.23 2ee8 n GLU 43 Ca 0.16 -0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 56.83 2ee8 n GLU 43 Cb 0.89 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.82 2ee8 n GLU 43 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ee8 s ARG 44 N -3.00 2.02 -0.02 3.49 0.52 -1.26 -4.98 118.95 115.71 2ee8 s ARG 44 Ca -0.04 -1.66 -0.26 0.00 -0.52 0.00 0.00 55.73 53.26 2ee8 s ARG 44 Cb 0.10 -3.35 -0.20 0.00 0.52 0.00 0.00 34.95 32.02 2ee8 s ARG 44 CO 0.66 -0.89 1.26 -1.00 0.02 0.00 0.00 175.30 175.34 2ee8 h PRO 45 N 7.92 -0.01 -6.10 3.54 0.13 -1.89 -3.44 132.00 132.15 2ee8 h PRO 45 Ca -0.14 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.32 2ee8 h PRO 45 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ee8 h PRO 45 CO 0.60 0.47 1.19 0.66 -0.23 0.00 0.00 178.00 180.69 2ee8 n TYR 46 N -4.86 1.91 -4.22 1.56 4.01 -1.26 -4.94 117.16 109.36 2ee8 n TYR 46 Ca -0.08 0.29 -0.15 0.00 -0.16 0.00 0.00 57.90 57.80 2ee8 n TYR 46 Cb 0.25 -2.54 -0.10 0.00 -0.31 0.00 0.00 39.34 36.64 2ee8 n TYR 46 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2ee8 s THR 47 N 5.41 1.11 1.31 -0.72 -1.32 -1.26 -1.75 115.64 118.42 2ee8 s THR 47 Ca 1.02 -1.87 -0.22 0.00 -1.21 0.00 0.00 61.69 59.41 2ee8 s THR 47 Cb -0.89 -1.64 0.34 0.00 -1.51 0.00 0.00 72.50 68.80 2ee8 s THR 47 CO 0.55 -0.64 0.92 0.00 -2.21 0.00 0.00 174.62 173.25 2ee8 n ASP 49 N -5.33 1.26 0.00 0.00 9.92 -1.26 -4.26 116.55 116.89 2ee8 n ASP 49 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2ee8 n ASP 49 Cb 0.57 1.21 0.00 0.00 -0.64 0.00 0.00 41.12 42.26 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ee8 n ILE 50 N -2.37 0.00 0.57 0.53 5.41 -1.26 -4.63 119.36 117.61 2ee8 n ILE 50 Ca -0.16 0.24 0.06 0.00 1.00 0.00 0.00 62.75 63.89 2ee8 n ILE 50 Cb 0.78 -1.21 0.30 0.00 -0.71 0.00 0.00 39.64 38.80 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 -1.24 -1.51 -3.73 0.00 8.25 -1.26 -4.92 115.22 110.82 2ee8 n HIS 52 Ca 0.06 0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 57.76 2ee8 n HIS 52 Cb 0.08 -3.29 -0.07 0.00 1.12 0.00 0.00 29.99 27.83 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 -6.89 3.94 0.12 -0.41 1.02 -1.26 -4.59 119.74 111.67 2ee8 s LYS 53 Ca 0.09 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.82 2ee8 s LYS 53 Cb -0.04 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.87 2ee8 s LYS 53 CO 0.93 0.47 0.55 0.00 -0.92 0.00 0.00 175.35 176.38 2ee8 s ALA 54 N -0.16 3.58 0.05 5.17 0.00 -1.26 0.01 121.76 129.16 2ee8 s ALA 54 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2ee8 s ALA 54 Cb -0.12 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2ee8 s ALA 54 CO 0.02 0.44 -0.10 -0.06 0.00 0.00 0.00 175.76 176.06 2ee8 s PHE 55 N -1.35 0.86 -0.03 0.00 0.40 -0.72 -4.99 117.98 112.15 2ee8 s PHE 55 Ca 0.35 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 56.00 2ee8 s PHE 55 Cb -0.16 -0.50 -0.12 0.00 0.51 0.00 0.00 43.02 42.75 2ee8 s PHE 55 CO 0.19 -0.03 0.84 -0.09 0.70 0.00 0.00 175.22 176.82 2ee8 h ARG 56 N 4.43 -0.49 -6.03 0.44 2.43 -1.96 -3.42 114.38 109.79 2ee8 h ARG 56 Ca -0.38 0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.26 2ee8 h ARG 56 Cb 1.20 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 2ee8 h ARG 56 CO 0.40 -0.21 -0.02 1.03 -1.51 0.00 0.00 179.97 179.66 2ee8 s ARG 57 N -3.72 4.33 0.21 0.20 0.52 -1.26 -4.97 118.95 114.26 2ee8 s ARG 57 Ca -0.11 0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 55.72 2ee8 s ARG 57 Cb 0.01 -3.37 0.26 0.00 0.52 0.00 0.00 34.95 32.37 2ee8 s ARG 57 CO 0.36 0.31 1.79 1.96 0.02 0.00 0.00 175.30 179.74 2ee8 h GLN 58 N 5.91 0.61 -0.66 3.54 1.08 -1.99 -1.88 115.11 121.71 2ee8 h GLN 58 Ca -0.44 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 56.75 2ee8 h GLN 58 Cb 1.20 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 2ee8 h GLN 58 CO 0.71 0.40 0.41 0.38 -0.95 0.00 0.00 178.83 179.78 2ee8 h ASP 59 N 0.63 0.66 -0.90 1.46 2.03 -1.99 -1.41 116.42 116.90 2ee8 h ASP 59 Ca 0.30 0.01 0.09 0.00 -0.73 0.00 0.00 57.03 56.70 2ee8 h ASP 59 Cb 0.24 -0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 38.53 2ee8 h ASP 59 CO -0.21 0.45 0.55 0.45 -1.03 0.00 0.00 179.24 179.45 2ee8 h HIS 60 N 0.79 1.00 -0.33 4.15 3.86 -1.76 -0.79 115.15 122.07 2ee8 h HIS 60 Ca 0.27 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.41 2ee8 h HIS 60 Cb 0.04 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2ee8 h HIS 60 CO -0.05 0.45 -0.17 1.25 0.86 0.00 0.00 177.93 180.27 2ee8 h LEU 61 N 0.93 0.73 0.66 2.43 5.85 -1.03 -1.47 115.31 123.41 2ee8 h LEU 61 Ca 0.42 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2ee8 h LEU 61 Cb 0.32 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2ee8 h LEU 61 CO -0.22 0.98 -0.36 0.03 -0.34 0.00 0.00 178.44 178.53 2ee8 h ARG 62 N 0.47 -0.90 -0.86 1.25 3.08 -0.53 -2.62 114.38 114.27 2ee8 h ARG 62 Ca 0.07 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.31 2ee8 h ARG 62 Cb 0.71 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 2ee8 h ARG 62 CO 0.05 -0.60 0.56 -0.44 -1.07 0.00 0.00 179.97 178.46 2ee8 h ASP 63 N -0.94 0.65 -0.43 7.04 5.19 -1.26 -1.88 116.42 124.80 2ee8 h ASP 63 Ca -0.09 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.44 2ee8 h ASP 63 Cb 0.73 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.06 2ee8 h ASP 63 CO 0.12 0.35 -0.08 -0.74 -3.12 0.00 0.00 179.24 175.78 2ee8 h HIS 64 N 0.70 -0.17 -1.10 4.55 -0.00 -1.02 0.17 115.15 118.29 2ee8 h HIS 64 Ca 0.42 0.04 0.32 0.00 -0.00 0.00 0.00 60.37 61.14 2ee8 h HIS 64 Cb 0.62 0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.13 2ee8 h HIS 64 CO -0.00 -0.16 1.20 -2.13 -0.00 0.00 0.00 177.93 176.84 2ee8 n ARG 65 N -5.29 0.01 -0.23 5.26 0.63 -0.70 0.43 116.66 116.78 2ee8 n ARG 65 Ca 0.03 0.99 0.03 0.00 -0.92 0.00 0.00 57.85 57.97 2ee8 n ARG 65 Cb 0.23 -2.43 0.14 0.00 0.45 0.00 0.00 32.46 30.85 2ee8 n ARG 65 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 2ee8 h TYR 66 N 0.00 0.33 -0.22 -0.14 5.03 -1.10 0.24 116.97 121.12 2ee8 h TYR 66 Ca 0.52 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.93 2ee8 h TYR 66 Cb 2.92 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 41.14 2ee8 h TYR 66 CO 0.00 0.01 0.61 -0.84 -1.32 0.00 0.00 178.16 176.61 2ee8 h ILE 67 N 0.34 0.09 -3.57 1.81 3.07 -0.22 -3.40 117.51 115.62 2ee8 h ILE 67 Ca 0.36 0.00 -0.52 0.00 1.55 0.00 0.00 64.86 66.25 2ee8 h ILE 67 Cb 0.54 0.44 -0.03 0.00 -0.27 0.00 0.00 36.82 37.50 2ee8 h ILE 67 CO -0.41 0.00 0.07 -1.00 -1.05 0.00 0.00 178.15 175.76 2ee8 s HIS 68 N -4.23 3.56 -0.41 0.16 3.76 0.85 -4.09 115.29 114.88 2ee8 s HIS 68 Ca -0.03 1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 56.13 2ee8 s HIS 68 Cb 0.09 -2.54 0.00 0.00 1.11 0.00 0.00 32.58 31.24 2ee8 s HIS 68 CO 0.30 0.28 0.23 0.45 -0.85 0.00 0.00 174.74 175.16 2ee8 n SER 69 N 0.40 -2.98 -3.76 1.40 2.88 -1.26 -5.04 113.62 105.26 2ee8 n SER 69 Ca -0.01 -0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.29 2ee8 n SER 69 Cb 0.52 -1.76 -0.10 0.00 -0.75 0.00 0.00 64.21 62.12 2ee8 n SER 69 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ee8 s LYS 70 N -5.05 0.46 0.09 -1.46 2.47 -1.26 -5.13 119.74 109.86 2ee8 s LYS 70 Ca 0.12 0.32 -0.31 0.00 -1.56 0.00 0.00 55.97 54.53 2ee8 s LYS 70 Cb -0.05 0.22 -0.09 0.00 -1.46 0.00 0.00 37.83 36.44 2ee8 s LYS 70 CO 0.14 -0.08 1.81 -2.00 0.16 0.00 0.00 175.35 175.38 2ee8 s GLU 71 N -0.17 4.15 0.21 4.03 2.12 -1.26 -4.99 118.70 122.79 2ee8 s GLU 71 Ca -0.03 2.52 0.10 0.00 0.36 0.00 0.00 54.97 57.92 2ee8 s GLU 71 Cb -0.03 -3.72 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 2ee8 s GLU 71 CO 0.01 -0.84 -0.20 0.15 -0.54 0.00 0.00 175.26 173.84 2ee8 s LYS 72 N 3.11 1.46 0.01 4.30 1.02 -1.26 -5.07 119.74 123.32 2ee8 s LYS 72 Ca 0.80 -1.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.00 2ee8 s LYS 72 Cb -0.43 -1.57 -0.17 0.00 -0.52 0.00 0.00 37.83 35.13 2ee8 s LYS 72 CO 0.36 0.31 1.31 -1.00 -0.92 0.00 0.00 175.35 175.41 2ee8 h PRO 73 N 2.87 0.20 -4.81 -1.68 0.13 -2.03 -3.41 132.00 123.26 2ee8 h PRO 73 Ca -0.42 -0.10 -0.67 0.00 -0.87 0.00 0.00 66.00 63.93 2ee8 h PRO 73 Cb 1.22 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.00 2ee8 h PRO 73 CO 0.54 0.63 -0.75 -0.59 -0.23 0.00 0.00 178.00 177.59 2ee8 s PHE 74 N -4.28 3.33 -0.14 1.56 -0.71 -1.26 -5.08 117.98 111.40 2ee8 s PHE 74 Ca -0.15 -2.26 -0.07 0.00 -1.04 0.00 0.00 56.93 53.41 2ee8 s PHE 74 Cb 0.04 -2.12 0.06 0.00 -1.21 0.00 0.00 43.02 39.78 2ee8 s PHE 74 CO 0.72 -0.87 0.32 0.21 -1.34 0.00 0.00 175.22 174.27 2ee8 s LYS 75 N 1.13 0.27 -0.25 1.99 2.47 -1.26 -4.90 119.74 119.18 2ee8 s LYS 75 Ca -0.05 0.72 -0.31 0.00 -1.56 0.00 0.00 55.97 54.77 2ee8 s LYS 75 Cb -0.20 -0.02 -0.08 0.00 -1.46 0.00 0.00 37.83 36.08 2ee8 s LYS 75 CO -0.04 -0.20 2.19 0.00 0.16 0.00 0.00 175.35 177.47 2ee8 n GLN 77 N 8.45 2.18 -0.07 0.00 7.27 -1.26 -2.06 117.38 131.89 2ee8 n GLN 77 Ca 0.33 -0.96 -0.14 0.00 0.07 0.00 0.00 57.00 56.31 2ee8 n GLN 77 Cb 0.37 -1.73 -0.05 0.00 2.41 0.00 0.00 30.24 31.24 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2ee8 n GLU 78 N 0.19 0.33 -0.03 3.69 -0.58 -1.26 -4.89 120.64 118.08 2ee8 n GLU 78 Ca 0.09 0.14 -0.04 0.00 -0.42 0.00 0.00 57.16 56.92 2ee8 n GLU 78 Cb 0.54 -1.06 -0.04 0.00 -0.57 0.00 0.00 31.44 30.32 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ee8 n GLY 80 N 2.99 1.06 3.91 0.00 0.00 -0.88 -5.10 105.19 107.18 2ee8 n GLY 80 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.04 1.94 -0.40 1.61 -0.14 -1.26 -4.84 119.74 116.60 2ee8 s LYS 81 Ca 0.00 -0.04 0.06 0.00 -1.36 0.00 0.00 55.97 54.63 2ee8 s LYS 81 Cb 0.00 -2.01 0.21 0.00 -1.68 0.00 0.00 37.83 34.35 2ee8 s LYS 81 CO 0.00 -1.55 0.42 0.41 -0.76 0.00 0.00 175.35 173.87 2ee8 n GLY 82 N -3.23 2.46 3.90 -3.33 0.00 -1.26 -3.93 105.19 99.79 2ee8 n GLY 82 Ca 0.09 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2ee8 n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee8 s PHE 83 N -0.50 3.49 -0.74 1.61 0.08 -1.26 -5.03 117.98 115.63 2ee8 s PHE 83 Ca 0.34 0.80 0.03 0.00 0.12 0.00 0.00 56.93 58.22 2ee8 s PHE 83 Cb 0.10 -2.25 0.34 0.00 -0.57 0.00 0.00 43.02 40.63 2ee8 s PHE 83 CO -0.16 0.01 1.27 0.00 -0.10 0.00 0.00 175.22 176.24 2ee8 n GLN 85 N -0.20 0.51 -0.07 0.00 6.02 -1.26 -5.08 117.38 117.30 2ee8 n GLN 85 Ca 0.37 -2.81 -0.10 0.00 -0.01 0.00 0.00 57.00 54.45 2ee8 n GLN 85 Cb 0.35 2.50 -0.08 0.00 1.02 0.00 0.00 30.24 34.03 2ee8 n GLN 85 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ee8 n SER 86 N -1.73 2.67 -0.04 1.08 7.64 -1.26 -4.59 113.62 117.39 2ee8 n SER 86 Ca 0.04 -0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.74 2ee8 n SER 86 Cb 0.55 -0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 2ee8 n SER 86 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2ee8 n ARG 87 N -2.87 0.66 -0.13 1.43 3.00 -1.26 -4.33 116.66 113.16 2ee8 n ARG 87 Ca -0.26 0.21 -0.04 0.00 -0.00 0.00 0.00 57.85 57.76 2ee8 n ARG 87 Cb 0.81 -1.71 0.02 0.00 0.00 0.00 0.00 32.46 31.58 2ee8 n ARG 87 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2ee8 h THR 88 N 0.01 0.50 -0.24 5.15 2.02 -1.98 0.33 112.91 118.69 2ee8 h THR 88 Ca -0.38 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.87 2ee8 h THR 88 Cb 2.07 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2ee8 h THR 88 CO 0.06 0.00 0.22 0.25 0.37 0.00 0.00 175.52 176.42 2ee8 h LEU 89 N -0.05 0.00 0.00 2.58 5.85 -1.81 0.19 115.31 122.07 2ee8 h LEU 89 Ca 0.21 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2ee8 h LEU 89 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2ee8 h LEU 89 CO -0.47 0.00 -0.13 0.00 -0.34 0.00 0.00 178.44 177.50 2ee8 h ALA 90 N 1.79 0.01 -0.09 1.25 0.00 -0.71 -2.47 119.26 119.03 2ee8 h ALA 90 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ee8 h ALA 90 Cb 0.56 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ee8 h ALA 90 CO -0.00 0.11 0.13 -0.24 0.00 0.00 0.00 179.25 179.25 2ee8 h VAL 91 N -1.00 0.39 0.00 0.00 3.04 -0.43 -2.28 116.25 115.98 2ee8 h VAL 91 Ca -0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 2ee8 h VAL 91 Cb 0.25 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 2ee8 h VAL 91 CO -0.01 0.00 -0.20 -0.74 -1.01 0.00 0.00 177.57 175.61 2ee8 h HIS 92 N 0.00 0.00 -0.98 3.17 6.17 -0.74 -3.34 115.15 119.43 2ee8 h HIS 92 Ca 0.05 0.00 0.20 0.00 0.71 0.00 0.00 60.37 61.32 2ee8 h HIS 92 Cb 0.30 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 30.14 2ee8 h HIS 92 CO 0.00 1.03 0.61 0.87 0.71 0.00 0.00 177.93 181.15 2ee8 h LYS 93 N -1.00 0.63 -0.73 5.26 1.79 -0.93 -0.29 116.57 121.29 2ee8 h LYS 93 Ca -0.05 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.50 2ee8 h LYS 93 Cb 1.00 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.43 2ee8 h LYS 93 CO -0.03 0.42 0.32 1.79 -1.08 0.00 0.00 179.45 180.86 2ee8 h THR 94 N 0.65 0.74 -1.40 -0.16 1.35 -1.55 -0.25 112.91 112.30 2ee8 h THR 94 Ca 0.55 -0.17 0.42 0.00 -0.55 0.00 0.00 66.41 66.65 2ee8 h THR 94 Cb 1.00 0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 67.52 2ee8 h THR 94 CO -0.31 0.09 0.95 0.17 -0.25 0.00 0.00 175.52 176.17 2ee8 h LEU 95 N 0.51 0.17 0.00 3.87 8.10 -1.17 -2.24 115.31 124.54 2ee8 h LEU 95 Ca 0.38 0.07 0.00 0.00 0.11 0.00 0.00 57.88 58.44 2ee8 h LEU 95 Cb 0.51 0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2ee8 h LEU 95 CO -0.34 -0.06 0.00 1.41 -4.11 0.00 0.00 178.44 175.33 2ee8 n HIS 96 N -4.41 0.00 -1.54 0.17 8.25 -0.11 -4.80 115.22 112.78 2ee8 n HIS 96 Ca 0.35 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 57.27 2ee8 n HIS 96 Cb 1.44 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 32.08 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 n MET 97 N -1.72 0.65 -2.02 -0.41 0.00 -0.85 -4.91 117.12 107.87 2ee8 n MET 97 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 57.70 57.61 2ee8 n MET 97 Cb 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 33.22 31.48 2ee8 n MET 97 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2ee8 s GLN 98 N 0.04 3.28 0.06 3.17 -2.07 -1.26 -4.93 119.66 117.94 2ee8 s GLN 98 Ca 0.83 1.21 0.06 0.00 -1.82 0.00 0.00 55.36 55.64 2ee8 s GLN 98 Cb -1.05 -2.03 -0.03 0.00 -1.09 0.00 0.00 33.01 28.82 2ee8 s GLN 98 CO 0.52 -0.84 -0.15 0.99 -1.32 0.00 0.00 175.29 174.49 2ee8 s THR 99 N -2.46 1.23 0.47 3.63 2.01 -1.26 -5.16 115.64 114.10 2ee8 s THR 99 Ca 0.64 -1.17 0.08 0.00 0.31 0.00 0.00 61.69 61.54 2ee8 s THR 99 Cb -0.16 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.24 2ee8 s THR 99 CO 0.38 -0.05 0.54 -0.94 -0.69 0.00 0.00 174.62 173.86 2ee8 s SER 100 N -1.41 5.22 -0.03 3.53 1.04 -1.26 -5.13 113.70 115.65 2ee8 s SER 100 Ca 0.02 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2ee8 s SER 100 Cb -0.09 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.77 2ee8 s SER 100 CO 0.02 -0.91 -0.06 -0.44 0.98 0.00 0.00 173.24 172.84 2ee8 s SER 101 N -4.35 0.93 1.10 7.02 0.01 -1.26 -5.15 113.70 111.99 2ee8 s SER 101 Ca 0.52 -0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.49 2ee8 s SER 101 Cb -0.06 -0.36 0.24 0.00 0.21 0.00 0.00 66.02 66.05 2ee8 s SER 101 CO 0.31 -0.01 1.10 -2.16 0.41 0.00 0.00 173.24 172.90 2ee8 s PRO 102 N 0.58 -0.37 -0.06 12.44 0.04 -1.26 -5.07 135.00 141.30 2ee8 s PRO 102 Ca -0.08 0.24 0.03 0.00 0.04 0.00 0.00 61.00 61.23 2ee8 s PRO 102 Cb -0.11 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.77 2ee8 s PRO 102 CO 0.00 -3.21 -0.13 0.95 0.04 0.00 0.00 177.00 174.65 2ee8 s THR 103 N -2.98 1.19 0.00 1.26 -4.23 -1.26 -5.06 115.64 104.56 2ee8 s THR 103 Ca 0.68 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 2ee8 s THR 103 Cb -0.15 -1.07 -0.07 0.00 1.34 0.00 0.00 72.50 72.55 2ee8 s THR 103 CO 0.57 0.36 0.87 0.00 -0.54 0.00 0.00 174.62 175.89 2ee8 h ALA 104 N 6.85 -0.81 -6.91 3.99 0.00 -2.10 -3.45 119.26 116.83 2ee8 h ALA 104 Ca -0.31 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 2ee8 h ALA 104 Cb 1.19 0.18 -0.26 0.00 0.00 0.00 0.00 17.79 18.90 2ee8 h ALA 104 CO 0.48 -0.77 -0.87 0.00 0.00 0.00 0.00 179.25 178.08 2ee8 n ALA 105 N -2.36 -1.37 0.00 0.00 0.00 -1.26 -5.38 120.51 110.15 2ee8 n ALA 105 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2ee8 n ALA 105 Cb 0.18 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 16.85 2ee8 n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37