#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 -0.44 -0.05 1.61 3.41 -1.26 -4.97 113.62 111.93 2ee8 n SER 2 Ca 0.00 0.63 -0.01 0.00 -0.26 0.00 0.00 58.87 59.23 2ee8 n SER 2 Cb 0.00 -1.30 -0.00 0.00 -0.26 0.00 0.00 64.21 62.65 2ee8 n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ee8 h SER 3 N -0.31 0.00 -0.62 4.04 0.87 -2.14 -3.51 113.55 111.88 2ee8 h SER 3 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2ee8 h SER 3 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2ee8 h SER 3 CO 0.45 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.83 2ee8 n GLY 4 N 1.77 -1.93 3.09 5.77 0.00 -1.26 -5.15 105.19 107.48 2ee8 n GLY 4 Ca -0.01 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.25 -0.19 0.22 1.61 0.01 -1.26 -5.17 113.70 107.67 2ee8 s SER 5 Ca 0.00 0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2ee8 s SER 5 Cb 0.00 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2ee8 s SER 5 CO 0.00 -0.10 0.22 -0.44 0.41 0.00 0.00 173.24 173.32 2ee8 s SER 6 N -0.04 5.74 0.00 2.44 0.01 -1.26 -5.12 113.70 115.46 2ee8 s SER 6 Ca -0.01 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2ee8 s SER 6 Cb -0.02 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2ee8 s SER 6 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2ee8 n GLY 7 N -0.93 -1.61 0.00 3.44 0.00 -1.26 -5.08 105.19 99.75 2ee8 n GLY 7 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 2.02 1.48 3.52 -0.02 0.00 -1.26 -5.13 105.19 105.79 2ee8 n GLY 8 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.49 1.90 -0.04 1.61 3.03 -1.26 -5.13 118.95 117.57 2ee8 s ARG 9 Ca 0.00 -1.12 -0.08 0.00 2.03 0.00 0.00 55.73 56.56 2ee8 s ARG 9 Cb 0.00 -2.18 -0.05 0.00 -1.03 0.00 0.00 34.95 31.70 2ee8 s ARG 9 CO 0.00 0.49 0.25 -0.48 -1.13 0.00 0.00 175.30 174.43 2ee8 s LEU 10 N -2.13 4.40 -0.25 -1.89 0.05 -1.26 -5.05 118.68 112.55 2ee8 s LEU 10 Ca 0.19 0.60 -0.29 0.00 0.05 0.00 0.00 54.13 54.68 2ee8 s LEU 10 Cb -0.11 -2.43 -0.02 0.00 -2.05 0.00 0.00 46.19 41.58 2ee8 s LEU 10 CO 0.11 0.33 1.63 -2.16 -0.55 0.00 0.00 176.35 175.70 2ee8 s PRO 11 N -1.35 3.71 0.20 1.48 0.04 -1.26 -5.00 135.00 132.81 2ee8 s PRO 11 Ca 0.22 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2ee8 s PRO 11 Cb -0.13 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2ee8 s PRO 11 CO 0.11 -1.40 -0.16 0.45 0.04 0.00 0.00 177.00 176.04 2ee8 s SER 12 N 4.50 3.85 -0.15 6.66 0.15 -1.26 -5.13 113.70 122.32 2ee8 s SER 12 Ca 0.72 -0.75 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 2ee8 s SER 12 Cb -0.24 -0.48 0.05 0.00 -1.71 0.00 0.00 66.02 63.64 2ee8 s SER 12 CO 0.30 0.10 0.08 -0.54 1.20 0.00 0.00 173.24 174.38 2ee8 s LYS 13 N -2.85 0.14 -0.16 5.44 1.02 -1.26 -5.13 119.74 116.94 2ee8 s LYS 13 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.18 2ee8 s LYS 13 Cb -0.08 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 2ee8 s LYS 13 CO 0.13 -0.61 -0.16 0.95 -0.92 0.00 0.00 175.35 174.74 2ee8 s THR 14 N 2.10 2.56 0.19 2.17 -4.23 -1.26 -5.08 115.64 112.09 2ee8 s THR 14 Ca 0.02 -0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 59.50 2ee8 s THR 14 Cb -0.15 -2.08 -0.14 0.00 1.34 0.00 0.00 72.50 71.47 2ee8 s THR 14 CO -0.08 0.52 0.40 0.29 -0.54 0.00 0.00 174.62 175.21 2ee8 n LYS 15 N 4.12 0.00 -0.88 3.99 5.02 -1.26 -4.87 118.16 124.28 2ee8 n LYS 15 Ca -0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.04 2ee8 n LYS 15 Cb 0.52 -0.84 0.19 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.87 1.91 -2.46 1.97 5.02 -1.26 -5.03 118.16 119.18 2ee8 n LYS 16 Ca 0.14 -3.25 -0.24 0.00 -2.02 0.00 0.00 58.31 52.95 2ee8 n LYS 16 Cb 0.22 -1.84 0.08 0.00 -0.02 0.00 0.00 35.03 33.47 2ee8 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ee8 s GLU 17 N -3.29 2.00 0.06 1.97 2.02 -1.26 -5.11 118.70 115.09 2ee8 s GLU 17 Ca 0.45 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.74 2ee8 s GLU 17 Cb 0.41 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 2ee8 s GLU 17 CO -0.01 -1.24 -0.06 -0.59 0.02 0.00 0.00 175.26 173.39 2ee8 s PHE 18 N -3.10 2.86 -0.07 1.61 -0.12 -1.26 -5.12 117.98 112.78 2ee8 s PHE 18 Ca 0.63 -0.07 -0.05 0.00 -0.05 0.00 0.00 56.93 57.38 2ee8 s PHE 18 Cb -0.08 -1.54 0.03 0.00 -0.63 0.00 0.00 43.02 40.80 2ee8 s PHE 18 CO 0.43 0.41 0.18 0.42 -0.05 0.00 0.00 175.22 176.62 2ee8 s ILE 19 N -1.14 -0.01 1.04 -4.49 1.01 -1.26 -3.68 121.20 112.67 2ee8 s ILE 19 Ca 0.20 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 2ee8 s ILE 19 Cb -0.11 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 2ee8 s ILE 19 CO 0.12 0.02 -0.43 0.00 0.00 0.00 0.00 174.94 174.65 2ee8 n LYS 21 N -0.22 2.03 0.01 0.00 0.00 -1.26 -3.62 118.16 115.10 2ee8 n LYS 21 Ca 0.01 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.18 2ee8 n LYS 21 Cb 0.63 -1.17 -0.09 0.00 -0.00 0.00 0.00 35.03 34.40 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2ee8 h PHE 22 N 0.00 -0.11 0.00 5.58 0.04 -2.00 -3.40 116.94 117.05 2ee8 h PHE 22 Ca -0.12 -0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.40 2ee8 h PHE 22 Cb 1.07 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.21 2ee8 h PHE 22 CO 0.00 0.44 -1.93 0.00 -0.60 0.00 0.00 178.31 176.22 2ee8 n GLY 24 N 2.41 1.16 3.80 0.00 0.00 -1.24 -5.03 105.19 106.30 2ee8 n GLY 24 Ca -0.25 -0.32 -0.35 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 -2.12 4.32 -0.06 1.61 6.06 -1.26 -4.65 118.95 122.84 2ee8 s ARG 25 Ca 0.00 1.27 -0.05 0.00 -2.50 0.00 0.00 55.73 54.45 2ee8 s ARG 25 Cb 0.00 -2.45 -0.04 0.00 0.06 0.00 0.00 34.95 32.52 2ee8 s ARG 25 CO 0.00 0.04 0.18 -1.01 -2.50 0.00 0.00 175.30 172.00 2ee8 s HIS 26 N -1.88 3.58 0.14 5.12 3.76 -1.26 -1.49 115.29 123.25 2ee8 s HIS 26 Ca 0.57 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.97 2ee8 s HIS 26 Cb -0.15 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2ee8 s HIS 26 CO 0.20 0.68 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.68 2ee8 s PHE 27 N -1.19 1.08 -0.26 1.40 0.40 -1.24 -5.04 117.98 113.13 2ee8 s PHE 27 Ca 0.22 -0.97 -0.13 0.00 -0.60 0.00 0.00 56.93 55.46 2ee8 s PHE 27 Cb -0.12 -0.61 -0.15 0.00 0.51 0.00 0.00 43.02 42.65 2ee8 s PHE 27 CO 0.12 -0.18 -0.21 2.41 0.70 0.00 0.00 175.22 178.07 2ee8 n THR 28 N -0.16 1.54 -3.91 0.64 -1.04 -1.26 -4.65 114.28 105.44 2ee8 n THR 28 Ca -0.09 -0.36 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 2ee8 n THR 28 Cb 0.62 -1.84 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ee8 s LYS 29 N -2.49 3.51 0.41 -2.82 2.20 -1.26 -4.99 119.74 114.30 2ee8 s LYS 29 Ca -0.36 -0.17 0.15 0.00 -0.36 0.00 0.00 55.97 55.23 2ee8 s LYS 29 Cb 0.12 -3.18 1.01 0.00 -1.51 0.00 0.00 37.83 34.27 2ee8 s LYS 29 CO 0.54 0.70 1.89 0.77 -0.36 0.00 0.00 175.35 178.89 2ee8 h SER 30 N 5.26 0.45 0.21 1.43 0.02 -2.00 -1.96 113.55 116.95 2ee8 h SER 30 Ca -0.52 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2ee8 h SER 30 Cb 1.21 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2ee8 h SER 30 CO 0.60 0.22 -0.10 0.22 -1.14 0.00 0.00 176.83 176.63 2ee8 h TYR 31 N 0.47 -0.26 -0.60 3.45 5.03 -2.00 -2.71 116.97 120.35 2ee8 h TYR 31 Ca 0.41 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.89 2ee8 h TYR 31 Cb 0.91 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 2ee8 h TYR 31 CO -0.00 0.10 0.54 -0.91 -1.32 0.00 0.00 178.16 176.57 2ee8 h ASN 32 N -0.68 0.00 -0.03 -2.11 2.35 -1.79 0.41 115.58 113.73 2ee8 h ASN 32 Ca -0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2ee8 h ASN 32 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.85 2ee8 h ASN 32 CO 0.05 0.00 -0.33 0.25 -1.65 0.00 0.00 177.43 175.75 2ee8 h LEU 33 N 0.00 0.35 -0.67 1.61 5.85 -1.25 -3.21 115.31 117.99 2ee8 h LEU 33 Ca 0.28 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2ee8 h LEU 33 Cb 1.37 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 2ee8 h LEU 33 CO -0.00 1.00 0.32 0.17 -0.34 0.00 0.00 178.44 179.59 2ee8 h LEU 34 N -0.27 0.87 -0.73 2.25 8.10 -0.66 -2.43 115.31 122.44 2ee8 h LEU 34 Ca -0.03 -0.14 0.14 0.00 0.11 0.00 0.00 57.88 57.96 2ee8 h LEU 34 Cb 1.02 -0.22 -0.10 0.00 -0.44 0.00 0.00 40.66 40.92 2ee8 h LEU 34 CO 0.07 0.77 0.27 0.40 -4.11 0.00 0.00 178.44 175.83 2ee8 h ILE 35 N 0.92 0.64 -0.34 0.15 2.04 -1.30 -1.29 117.51 118.34 2ee8 h ILE 35 Ca 0.23 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 2ee8 h ILE 35 Cb 0.13 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2ee8 h ILE 35 CO -0.03 0.07 -0.05 -0.74 0.00 0.00 0.00 178.15 177.40 2ee8 h HIS 36 N 0.41 0.71 -0.77 1.37 -0.00 -1.49 -2.83 115.15 112.55 2ee8 h HIS 36 Ca 0.40 -0.14 0.22 0.00 -0.00 0.00 0.00 60.37 60.85 2ee8 h HIS 36 Cb 0.62 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 2ee8 h HIS 36 CO -0.18 0.79 1.06 0.93 -0.00 0.00 0.00 177.93 180.52 2ee8 h GLU 37 N 0.43 0.00 -0.56 5.26 5.08 -0.75 0.66 114.58 124.69 2ee8 h GLU 37 Ca 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2ee8 h GLU 37 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2ee8 h GLU 37 CO 0.03 0.00 0.37 0.00 -1.00 0.00 0.00 179.01 178.41 2ee8 h ARG 38 N 0.00 0.73 0.00 2.33 3.08 -1.46 -0.62 114.38 118.44 2ee8 h ARG 38 Ca 0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2ee8 h ARG 38 Cb 2.48 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 32.37 2ee8 h ARG 38 CO -0.00 0.49 0.15 -2.37 -1.07 0.00 0.00 179.97 177.16 2ee8 n THR 39 N -4.70 0.97 0.00 2.04 5.66 0.23 -3.40 114.28 115.08 2ee8 n THR 39 Ca 0.04 0.69 0.00 0.00 -3.05 0.00 0.00 64.05 61.73 2ee8 n THR 39 Cb 0.03 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 2ee8 n THR 39 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2ee8 n HIS 40 N -1.99 0.00 -1.88 1.09 8.25 -0.37 -4.98 115.22 115.34 2ee8 n HIS 40 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ee8 n HIS 40 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 2ee8 n HIS 40 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ee8 s THR 41 N -0.60 2.78 0.98 1.59 -1.32 -0.44 -4.99 115.64 113.64 2ee8 s THR 41 Ca 0.00 0.38 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 2ee8 s THR 41 Cb 0.00 -3.24 0.18 0.00 -1.51 0.00 0.00 72.50 67.93 2ee8 s THR 41 CO 0.00 0.01 1.14 -0.62 -2.21 0.00 0.00 174.62 172.94 2ee8 s ASP 42 N 2.04 2.85 0.91 8.08 2.15 -1.26 -4.65 116.67 126.78 2ee8 s ASP 42 Ca 0.74 0.89 -0.10 0.00 0.43 0.00 0.00 52.55 54.51 2ee8 s ASP 42 Cb -0.42 -1.38 0.19 0.00 -0.30 0.00 0.00 42.92 41.00 2ee8 s ASP 42 CO 0.33 -2.96 1.16 -1.84 -0.17 0.00 0.00 175.17 171.69 2ee8 n GLU 43 N -4.02 -0.84 -4.11 4.34 -0.00 -1.26 -4.37 120.64 110.38 2ee8 n GLU 43 Ca 0.08 -2.17 -0.30 0.00 -0.00 0.00 0.00 57.16 54.77 2ee8 n GLU 43 Cb 0.59 -1.07 -0.04 0.00 -0.00 0.00 0.00 31.44 30.92 2ee8 n GLU 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2ee8 n ARG 44 N -3.36 -2.76 0.03 3.44 0.63 -1.26 -4.88 116.66 108.50 2ee8 n ARG 44 Ca 0.16 0.33 -0.13 0.00 -0.92 0.00 0.00 57.85 57.29 2ee8 n ARG 44 Cb 0.55 -4.52 -0.09 0.00 0.45 0.00 0.00 32.46 28.85 2ee8 n ARG 44 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2ee8 h PRO 45 N -1.71 -0.10 -5.65 -0.14 0.13 -1.85 -3.39 132.00 119.28 2ee8 h PRO 45 Ca -0.62 0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.22 2ee8 h PRO 45 Cb 1.38 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.49 2ee8 h PRO 45 CO 0.69 0.34 0.77 0.71 -0.23 0.00 0.00 178.00 180.29 2ee8 s TYR 46 N -4.19 1.81 -0.23 1.56 1.51 -1.26 -4.92 117.35 111.63 2ee8 s TYR 46 Ca -0.15 0.65 -0.07 0.00 -1.01 0.00 0.00 57.07 56.49 2ee8 s TYR 46 Cb 0.02 -4.01 -0.03 0.00 -0.11 0.00 0.00 41.96 37.83 2ee8 s TYR 46 CO 0.62 -1.62 0.04 0.99 -1.11 0.00 0.00 175.55 174.47 2ee8 s THR 47 N 10.47 4.23 1.32 -0.71 2.01 -1.25 -2.74 115.64 128.97 2ee8 s THR 47 Ca 0.70 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 2ee8 s THR 47 Cb -0.06 -2.95 0.34 0.00 0.01 0.00 0.00 72.50 69.84 2ee8 s THR 47 CO 0.02 0.38 0.85 0.00 -0.69 0.00 0.00 174.62 175.19 2ee8 h ASP 49 N -3.33 0.00 0.00 0.00 5.19 -1.97 -3.36 116.42 112.95 2ee8 h ASP 49 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2ee8 h ASP 49 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2ee8 h ASP 49 CO 0.23 0.70 0.00 -0.38 -3.12 0.00 0.00 179.24 176.67 2ee8 n ILE 50 N -2.98 0.20 0.25 0.35 5.41 -1.26 -4.74 119.36 116.59 2ee8 n ILE 50 Ca -0.10 0.07 0.14 0.00 1.00 0.00 0.00 62.75 63.86 2ee8 n ILE 50 Cb 0.89 -0.99 0.76 0.00 -0.71 0.00 0.00 39.64 39.59 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 -2.59 -1.07 -2.31 0.00 1.44 -1.26 -4.86 115.22 104.57 2ee8 n HIS 52 Ca -0.02 0.44 -0.23 0.00 -2.01 0.00 0.00 57.72 55.90 2ee8 n HIS 52 Cb 0.20 -2.35 0.14 0.00 0.12 0.00 0.00 29.99 28.10 2ee8 n HIS 52 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2ee8 n LYS 53 N -4.09 -0.47 -4.07 -1.40 5.02 -1.26 -4.64 118.16 107.25 2ee8 n LYS 53 Ca -0.25 -2.27 -0.33 0.00 -2.02 0.00 0.00 58.31 53.43 2ee8 n LYS 53 Cb 0.57 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.58 2ee8 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ee8 s ALA 54 N -3.45 2.47 0.40 7.82 0.00 -1.25 -3.69 121.76 124.06 2ee8 s ALA 54 Ca 0.64 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 51.33 2ee8 s ALA 54 Cb -0.03 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 2ee8 s ALA 54 CO 0.43 -0.57 0.10 -0.06 0.00 0.00 0.00 175.76 175.66 2ee8 s PHE 55 N 1.28 2.57 -0.17 0.00 0.40 -1.11 -5.02 117.98 115.94 2ee8 s PHE 55 Ca 0.02 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2ee8 s PHE 55 Cb -0.15 -1.81 -0.10 0.00 0.51 0.00 0.00 43.02 41.47 2ee8 s PHE 55 CO -0.09 0.32 -0.17 2.89 0.70 0.00 0.00 175.22 178.87 2ee8 n ARG 56 N -1.10 0.40 -4.54 0.44 1.85 -1.26 -4.26 116.66 108.18 2ee8 n ARG 56 Ca -0.03 0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.60 2ee8 n ARG 56 Cb 0.65 -1.27 -0.11 0.00 -1.05 0.00 0.00 32.46 30.68 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 -2.32 2.78 0.00 2.89 1.81 -1.26 -5.03 118.95 117.82 2ee8 s ARG 57 Ca -0.23 -0.54 -0.25 0.00 -1.72 0.00 0.00 55.73 53.00 2ee8 s ARG 57 Cb 0.07 -2.63 -0.17 0.00 -0.45 0.00 0.00 34.95 31.77 2ee8 s ARG 57 CO 0.36 0.66 1.25 0.37 -0.68 0.00 0.00 175.30 177.26 2ee8 h GLN 58 N 5.11 -0.25 -0.85 3.54 4.15 -1.99 -2.99 115.11 121.83 2ee8 h GLN 58 Ca -0.49 0.02 0.25 0.00 0.77 0.00 0.00 58.65 59.20 2ee8 h GLN 58 Cb 1.18 0.06 -0.16 0.00 0.21 0.00 0.00 27.48 28.76 2ee8 h GLN 58 CO 0.53 0.10 0.09 -0.25 -1.93 0.00 0.00 178.83 177.37 2ee8 n ASP 59 N -5.04 -0.04 0.05 -0.69 8.00 -1.26 0.67 116.55 118.25 2ee8 n ASP 59 Ca -0.09 1.44 -0.13 0.00 0.71 0.00 0.00 54.79 56.72 2ee8 n ASP 59 Cb 0.24 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 2ee8 n ASP 59 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2ee8 h HIS 60 N 0.00 -0.12 -0.01 1.24 3.86 -1.99 -2.97 115.15 115.16 2ee8 h HIS 60 Ca 0.55 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.78 2ee8 h HIS 60 Cb 1.19 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.67 2ee8 h HIS 60 CO -0.37 0.20 -0.16 1.25 0.86 0.00 0.00 177.93 179.71 2ee8 h LEU 61 N -0.45 -0.48 -0.59 2.43 5.85 0.39 0.27 115.31 122.73 2ee8 h LEU 61 Ca -0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.86 2ee8 h LEU 61 Cb 0.38 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 2ee8 h LEU 61 CO 0.02 -0.22 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.32 2ee8 h ARG 62 N -0.26 -0.24 -0.29 1.25 2.43 -0.51 0.14 114.38 116.91 2ee8 h ARG 62 Ca 0.06 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2ee8 h ARG 62 Cb 0.34 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2ee8 h ARG 62 CO -0.17 -0.16 0.09 -0.44 -1.51 0.00 0.00 179.97 177.78 2ee8 h ASP 63 N -0.25 0.42 -1.01 -3.80 3.32 -1.33 -2.84 116.42 110.94 2ee8 h ASP 63 Ca 0.15 -0.21 0.23 0.00 0.02 0.00 0.00 57.03 57.23 2ee8 h ASP 63 Cb 0.56 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 39.88 2ee8 h ASP 63 CO -0.70 0.52 0.61 -0.74 -1.72 0.00 0.00 179.24 177.21 2ee8 h HIS 64 N 0.30 0.99 0.00 4.55 -0.00 0.83 0.31 115.15 122.13 2ee8 h HIS 64 Ca 0.09 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2ee8 h HIS 64 Cb 0.25 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2ee8 h HIS 64 CO 0.01 0.11 0.63 0.00 -0.00 0.00 0.00 177.93 178.68 2ee8 h ARG 65 N 0.61 0.00 -0.71 5.26 3.08 -0.52 0.45 114.38 122.55 2ee8 h ARG 65 Ca 0.62 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.61 2ee8 h ARG 65 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2ee8 h ARG 65 CO -0.43 0.00 0.19 1.88 -1.07 0.00 0.00 179.97 180.54 2ee8 h TYR 66 N 0.00 1.17 -1.11 3.04 0.05 -0.54 -2.52 116.97 117.06 2ee8 h TYR 66 Ca 0.00 -0.13 0.32 0.00 0.05 0.00 0.00 58.73 58.97 2ee8 h TYR 66 Cb 1.26 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 2ee8 h TYR 66 CO 0.00 0.94 1.02 -0.84 -1.05 0.00 0.00 178.16 178.23 2ee8 h ILE 67 N 1.07 0.16 0.00 -2.88 3.07 -0.27 -0.75 117.51 117.92 2ee8 h ILE 67 Ca 0.23 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.45 2ee8 h ILE 67 Cb 0.34 0.22 -0.03 0.00 -0.27 0.00 0.00 36.82 37.09 2ee8 h ILE 67 CO -0.00 0.00 -1.32 1.41 -1.05 0.00 0.00 178.15 177.19 2ee8 n HIS 68 N -3.66 0.61 -0.33 0.16 8.25 -0.97 -4.49 115.22 114.80 2ee8 n HIS 68 Ca 0.24 0.27 -0.04 0.00 -0.26 0.00 0.00 57.72 57.93 2ee8 n HIS 68 Cb 1.37 -0.90 0.01 0.00 1.12 0.00 0.00 29.99 31.59 2ee8 n HIS 68 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ee8 h SER 69 N -1.00 -1.47 -3.68 0.41 0.87 -0.94 -3.35 113.55 104.38 2ee8 h SER 69 Ca -0.29 0.29 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 2ee8 h SER 69 Cb 1.12 0.73 -0.14 0.00 -0.44 0.00 0.00 62.40 63.67 2ee8 h SER 69 CO -0.17 -0.29 -0.31 -0.75 -0.53 0.00 0.00 176.83 174.78 2ee8 s LYS 70 N -5.89 4.04 0.05 2.24 2.36 -0.55 -5.04 119.74 116.95 2ee8 s LYS 70 Ca -0.14 -0.02 -0.30 0.00 -2.55 0.00 0.00 55.97 52.96 2ee8 s LYS 70 Cb 0.17 -3.62 -0.08 0.00 -1.05 0.00 0.00 37.83 33.26 2ee8 s LYS 70 CO 0.69 -0.17 1.63 -1.21 1.55 0.00 0.00 175.35 177.84 2ee8 s GLU 71 N 1.75 4.20 -0.05 4.03 8.01 -1.26 -4.71 118.70 130.67 2ee8 s GLU 71 Ca 0.14 2.28 0.02 0.00 0.01 0.00 0.00 54.97 57.41 2ee8 s GLU 71 Cb -0.15 -3.66 -0.03 0.00 -4.31 0.00 0.00 34.13 25.98 2ee8 s GLU 71 CO 0.09 -0.74 -0.08 0.15 0.01 0.00 0.00 175.26 174.69 2ee8 s LYS 72 N 2.84 2.68 0.01 1.61 1.02 -1.26 -5.00 119.74 121.63 2ee8 s LYS 72 Ca 0.73 -0.60 0.15 0.00 0.02 0.00 0.00 55.97 56.27 2ee8 s LYS 72 Cb -0.38 -2.54 0.62 0.00 -0.52 0.00 0.00 37.83 35.01 2ee8 s LYS 72 CO 0.32 0.65 1.47 -0.35 -0.92 0.00 0.00 175.35 176.51 2ee8 n PRO 73 N 2.12 0.01 -3.91 -1.68 -0.04 -1.26 -4.30 135.00 125.94 2ee8 n PRO 73 Ca -0.17 0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 2ee8 n PRO 73 Cb 0.53 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 2ee8 n PRO 73 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ee8 s PHE 74 N -3.01 3.03 -0.12 0.54 -0.71 -1.26 -5.08 117.98 111.37 2ee8 s PHE 74 Ca 0.07 -2.64 -0.09 0.00 -1.04 0.00 0.00 56.93 53.23 2ee8 s PHE 74 Cb 0.09 -2.52 0.04 0.00 -1.21 0.00 0.00 43.02 39.42 2ee8 s PHE 74 CO 0.26 -0.90 0.30 0.21 -1.34 0.00 0.00 175.22 173.76 2ee8 s LYS 75 N 0.95 0.31 0.26 1.99 2.20 -1.26 -4.56 119.74 119.62 2ee8 s LYS 75 Ca 0.12 0.52 -0.19 0.00 -0.36 0.00 0.00 55.97 56.05 2ee8 s LYS 75 Cb -0.20 0.04 -0.09 0.00 -1.51 0.00 0.00 37.83 36.08 2ee8 s LYS 75 CO -0.11 -0.10 0.75 0.00 -0.36 0.00 0.00 175.35 175.52 2ee8 h GLN 77 N 3.09 0.31 0.17 0.00 4.20 -1.99 -2.40 115.11 118.48 2ee8 h GLN 77 Ca -0.48 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 57.70 2ee8 h GLN 77 Cb 1.19 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 2ee8 h GLN 77 CO 0.65 1.25 -0.10 0.93 -0.67 0.00 0.00 178.83 180.89 2ee8 h GLU 78 N -0.12 -0.24 0.00 1.46 4.39 -2.02 -3.39 114.58 114.66 2ee8 h GLU 78 Ca -0.33 0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.02 2ee8 h GLU 78 Cb 1.91 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.55 2ee8 h GLU 78 CO 0.11 -0.16 -2.35 0.00 -1.16 0.00 0.00 179.01 175.45 2ee8 n GLY 80 N 2.24 -0.87 3.94 0.00 0.00 -0.90 -4.96 105.19 104.64 2ee8 n GLY 80 Ca -0.43 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2ee8 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ee8 s LYS 81 N -2.65 2.45 -1.01 1.61 -2.85 -1.26 -4.79 119.74 111.23 2ee8 s LYS 81 Ca 0.04 -1.65 -0.17 0.00 -1.00 0.00 0.00 55.97 53.19 2ee8 s LYS 81 Cb -0.01 -2.41 0.14 0.00 -2.06 0.00 0.00 37.83 33.49 2ee8 s LYS 81 CO 0.40 -0.46 1.22 0.20 0.10 0.00 0.00 175.35 176.80 2ee8 s GLY 82 N -4.32 2.08 -0.40 0.59 0.00 -1.26 -4.44 107.32 99.58 2ee8 s GLY 82 Ca 0.48 -2.95 -0.29 0.00 0.00 0.00 0.00 44.72 41.97 2ee8 s GLY 82 CO 0.29 2.02 1.44 -1.36 0.00 0.00 0.00 173.10 175.49 2ee8 s PHE 83 N 2.33 2.35 0.31 1.90 0.40 -1.26 -4.88 117.98 119.13 2ee8 s PHE 83 Ca 0.36 0.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.41 2ee8 s PHE 83 Cb -0.04 -4.27 0.72 0.00 0.51 0.00 0.00 43.02 39.93 2ee8 s PHE 83 CO -0.07 -2.07 1.80 0.00 0.70 0.00 0.00 175.22 175.58 2ee8 s GLN 85 N -5.85 2.42 -0.15 0.00 -1.52 -1.26 -5.08 119.66 108.22 2ee8 s GLN 85 Ca -0.11 -1.50 -0.12 0.00 -1.95 0.00 0.00 55.36 51.67 2ee8 s GLN 85 Cb 0.24 -2.22 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 2ee8 s GLN 85 CO 0.80 0.12 -0.24 0.43 -0.25 0.00 0.00 175.29 176.16 2ee8 n SER 86 N -1.17 1.78 -0.39 5.90 7.64 -1.26 -4.10 113.62 122.03 2ee8 n SER 86 Ca -0.03 0.50 0.32 0.00 1.01 0.00 0.00 58.87 60.67 2ee8 n SER 86 Cb 0.61 -0.81 0.59 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.96 0.12 -0.66 1.43 2.43 -1.99 0.85 114.38 115.60 2ee8 h ARG 87 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2ee8 h ARG 87 Cb 0.68 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2ee8 h ARG 87 CO 0.00 0.08 0.36 0.00 -1.51 0.00 0.00 179.97 178.90 2ee8 h THR 88 N 0.13 1.21 -0.72 0.20 1.03 -2.00 -2.81 112.91 109.95 2ee8 h THR 88 Ca 0.80 -0.53 0.16 0.00 -0.01 0.00 0.00 66.41 66.83 2ee8 h THR 88 Cb 2.26 0.35 -0.12 0.00 -1.07 0.00 0.00 68.15 69.57 2ee8 h THR 88 CO -0.54 0.23 0.07 0.25 -0.01 0.00 0.00 175.52 175.52 2ee8 h LEU 89 N 0.91 -0.20 -0.95 0.00 5.85 0.58 0.15 115.31 121.65 2ee8 h LEU 89 Ca 0.23 0.17 0.25 0.00 0.84 0.00 0.00 57.88 59.37 2ee8 h LEU 89 Cb 0.04 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.22 2ee8 h LEU 89 CO -0.04 -0.12 0.47 0.00 -0.34 0.00 0.00 178.44 178.41 2ee8 h ALA 90 N 1.64 1.63 -0.13 1.25 0.00 -1.47 0.78 119.26 122.95 2ee8 h ALA 90 Ca 0.39 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 2ee8 h ALA 90 Cb 0.68 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ee8 h ALA 90 CO -0.58 -0.39 -0.62 0.28 0.00 0.00 0.00 179.25 177.94 2ee8 h VAL 91 N 0.41 1.33 -1.39 0.00 2.07 -0.83 -3.18 116.25 114.66 2ee8 h VAL 91 Ca 0.62 -1.88 0.42 0.00 0.82 0.00 0.00 66.70 66.68 2ee8 h VAL 91 Cb 1.26 2.09 -0.10 0.00 -1.52 0.00 0.00 31.29 33.02 2ee8 h VAL 91 CO -0.55 0.58 0.95 -0.74 0.02 0.00 0.00 177.57 177.83 2ee8 h HIS 92 N 0.31 0.33 -0.50 1.57 6.17 0.02 0.20 115.15 123.25 2ee8 h HIS 92 Ca -0.04 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.15 2ee8 h HIS 92 Cb 1.25 -0.08 -0.10 0.00 2.52 0.00 0.00 27.41 31.00 2ee8 h HIS 92 CO 0.10 -0.08 -0.13 0.87 0.71 0.00 0.00 177.93 179.40 2ee8 h LYS 93 N 0.10 -0.00 -0.19 5.26 6.56 -1.48 -1.69 116.57 125.12 2ee8 h LYS 93 Ca 0.76 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.35 2ee8 h LYS 93 Cb 2.61 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 34.26 2ee8 h LYS 93 CO -0.23 -0.00 0.11 1.79 -2.06 0.00 0.00 179.45 179.06 2ee8 h THR 94 N -0.00 1.09 -0.47 -0.16 1.35 -0.80 -2.09 112.91 111.83 2ee8 h THR 94 Ca 0.24 -0.22 0.14 0.00 -0.55 0.00 0.00 66.41 66.01 2ee8 h THR 94 Cb 0.37 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 2ee8 h THR 94 CO -0.52 0.08 0.92 -0.07 -0.25 0.00 0.00 175.52 175.69 2ee8 h LEU 95 N 0.22 0.00 -3.59 3.87 3.38 -1.27 0.16 115.31 118.09 2ee8 h LEU 95 Ca 0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 2ee8 h LEU 95 Cb 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 2ee8 h LEU 95 CO -0.01 0.00 0.29 1.41 0.09 0.00 0.00 178.44 180.22 2ee8 n HIS 96 N -3.02 1.19 -4.11 1.13 8.25 -0.79 -4.82 115.22 113.05 2ee8 n HIS 96 Ca 0.10 -1.77 -0.20 0.00 -0.26 0.00 0.00 57.72 55.59 2ee8 n HIS 96 Cb 1.08 -0.98 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.31 0.78 0.08 -0.41 0.23 0.55 -5.10 119.30 114.12 2ee8 s MET 97 Ca 0.32 -0.08 -0.16 0.00 -1.03 0.00 0.00 55.69 54.74 2ee8 s MET 97 Cb 0.23 -0.83 0.03 0.00 -1.53 0.00 0.00 34.83 32.73 2ee8 s MET 97 CO -0.04 -0.10 0.38 -0.65 -2.03 0.00 0.00 175.02 172.58 2ee8 s GLN 98 N 1.01 0.97 0.07 3.16 -1.52 -1.26 -5.12 119.66 116.96 2ee8 s GLN 98 Ca -0.10 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 2ee8 s GLN 98 Cb -0.14 0.43 -0.04 0.00 -0.22 0.00 0.00 33.01 33.03 2ee8 s GLN 98 CO -0.00 -0.35 -0.04 0.95 -0.25 0.00 0.00 175.29 175.59 2ee8 s THR 99 N -3.17 0.41 -0.15 -0.19 -4.23 -1.26 -5.17 115.64 101.89 2ee8 s THR 99 Ca -0.01 -1.86 -0.33 0.00 -1.18 0.00 0.00 61.69 58.31 2ee8 s THR 99 Cb 0.01 -1.58 0.13 0.00 1.34 0.00 0.00 72.50 72.40 2ee8 s THR 99 CO -0.07 -0.95 1.13 -0.44 -0.54 0.00 0.00 174.62 173.75 2ee8 s SER 100 N -2.97 -0.19 -0.25 3.99 0.01 -1.26 -5.16 113.70 107.87 2ee8 s SER 100 Ca 0.09 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 2ee8 s SER 100 Cb 0.07 0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.62 2ee8 s SER 100 CO -0.08 -0.33 0.51 -0.44 0.41 0.00 0.00 173.24 173.32 2ee8 s SER 101 N -2.22 -0.63 -0.01 2.44 0.01 -1.26 -5.06 113.70 106.97 2ee8 s SER 101 Ca 0.08 1.08 -0.25 0.00 1.31 0.00 0.00 55.95 58.17 2ee8 s SER 101 Cb -0.01 1.74 -0.19 0.00 0.21 0.00 0.00 66.02 67.77 2ee8 s SER 101 CO -0.06 -0.24 1.29 1.55 0.41 0.00 0.00 173.24 176.19 2ee8 h PRO 102 N 8.10 0.07 -6.45 12.44 0.13 -2.07 -3.46 132.00 140.76 2ee8 h PRO 102 Ca -0.18 -0.04 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 2ee8 h PRO 102 Cb 1.12 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.97 2ee8 h PRO 102 CO 0.15 0.54 -0.74 0.25 -0.23 0.00 0.00 178.00 177.97 2ee8 n THR 103 N -4.80 -0.17 -4.09 1.56 -2.24 -1.26 -4.85 114.28 98.44 2ee8 n THR 103 Ca -0.08 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2ee8 n THR 103 Cb 0.27 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ee8 s ALA 104 N -3.09 0.58 -0.84 6.98 0.00 -1.26 -4.94 121.76 119.20 2ee8 s ALA 104 Ca 0.53 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2ee8 s ALA 104 Cb -0.31 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.00 2ee8 s ALA 104 CO 0.82 -0.77 0.72 0.00 0.00 0.00 0.00 175.76 176.54 2ee8 n ALA 105 N -0.46 -0.96 0.45 0.00 0.00 -1.26 -5.28 120.51 113.00 2ee8 n ALA 105 Ca 0.01 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.68 2ee8 n ALA 105 Cb 0.62 -3.14 0.05 0.00 0.00 0.00 0.00 19.45 16.98 2ee8 n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95