#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 0.38 0.24 1.61 0.01 -1.26 -5.19 113.70 109.49 2ee8 s SER 2 Ca 0.00 -1.25 -0.00 0.00 1.31 0.00 0.00 55.95 56.01 2ee8 s SER 2 Cb 0.00 0.75 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 2ee8 s SER 2 CO 0.00 -1.47 0.20 -0.55 0.41 0.00 0.00 173.24 171.83 2ee8 s SER 3 N -3.13 0.49 0.08 2.44 0.15 -1.26 -5.18 113.70 107.28 2ee8 s SER 3 Ca 0.22 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.44 2ee8 s SER 3 Cb -0.03 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2ee8 s SER 3 CO 0.15 -0.92 -0.06 -0.83 1.20 0.00 0.00 173.24 172.77 2ee8 s GLY 4 N -3.20 0.65 0.33 9.45 0.00 -1.26 -5.17 107.32 108.12 2ee8 s GLY 4 Ca 0.38 -1.19 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 2ee8 s GLY 4 CO 0.15 -1.29 0.56 -0.56 0.00 0.00 0.00 173.10 171.97 2ee8 s SER 5 N -2.69 0.36 0.06 1.64 0.01 -1.26 -5.19 113.70 106.64 2ee8 s SER 5 Ca 0.06 -1.21 -0.22 0.00 1.31 0.00 0.00 55.95 55.89 2ee8 s SER 5 Cb 0.02 0.69 0.05 0.00 0.21 0.00 0.00 66.02 67.00 2ee8 s SER 5 CO -0.04 -1.36 0.51 -0.55 0.41 0.00 0.00 173.24 172.21 2ee8 s SER 6 N -3.12 -0.43 0.00 2.44 0.15 -1.26 -5.17 113.70 106.31 2ee8 s SER 6 Ca 0.24 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2ee8 s SER 6 Cb -0.02 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2ee8 s SER 6 CO 0.14 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2ee8 n GLY 7 N 0.28 3.89 0.00 9.45 0.00 -1.26 -5.19 105.19 112.36 2ee8 n GLY 7 Ca -0.18 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.36 4.51 3.63 -0.02 0.00 -1.26 -5.18 105.19 105.52 2ee8 n GLY 8 Ca 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.16 0.62 -0.14 1.61 3.03 -1.26 -5.16 118.95 114.49 2ee8 s ARG 9 Ca 0.00 0.72 -0.05 0.00 2.03 0.00 0.00 55.73 58.43 2ee8 s ARG 9 Cb 0.00 0.30 0.07 0.00 -1.03 0.00 0.00 34.95 34.30 2ee8 s ARG 9 CO 0.00 -0.08 0.28 -0.51 -1.13 0.00 0.00 175.30 173.86 2ee8 s LEU 10 N 0.23 -0.34 0.68 -1.89 1.43 -1.26 -5.16 118.68 112.36 2ee8 s LEU 10 Ca 0.02 0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 2ee8 s LEU 10 Cb -0.05 0.78 0.01 0.00 0.03 0.00 0.00 46.19 46.96 2ee8 s LEU 10 CO -0.03 -0.24 1.11 -2.16 0.23 0.00 0.00 176.35 175.25 2ee8 s PRO 11 N 2.44 2.72 -0.07 1.29 0.04 -1.26 -5.04 135.00 135.13 2ee8 s PRO 11 Ca 0.01 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 2ee8 s PRO 11 Cb -0.12 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2ee8 s PRO 11 CO -0.09 -1.31 0.25 0.45 0.04 0.00 0.00 177.00 176.34 2ee8 s SER 12 N -2.71 6.57 0.22 6.66 0.15 -1.26 -5.10 113.70 118.23 2ee8 s SER 12 Ca 0.66 0.68 0.05 0.00 0.70 0.00 0.00 55.95 58.04 2ee8 s SER 12 Cb -0.20 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2ee8 s SER 12 CO 0.44 0.37 -0.05 -1.59 1.20 0.00 0.00 173.24 173.61 2ee8 s LYS 13 N -1.06 1.33 -0.29 5.44 0.00 -1.26 -5.15 119.74 118.74 2ee8 s LYS 13 Ca 0.19 -1.65 -0.13 0.00 0.00 0.00 0.00 55.97 54.38 2ee8 s LYS 13 Cb -0.14 -0.77 0.12 0.00 0.00 0.00 0.00 37.83 37.03 2ee8 s LYS 13 CO 0.08 -0.01 0.71 0.99 0.00 0.00 0.00 175.35 177.12 2ee8 s THR 14 N -3.28 -0.58 -0.17 3.79 2.01 -1.26 -5.15 115.64 111.00 2ee8 s THR 14 Ca 0.26 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 2ee8 s THR 14 Cb 0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2ee8 s THR 14 CO 0.08 0.00 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.25 2ee8 s LYS 15 N 2.37 3.76 0.01 4.92 2.20 -1.26 -5.10 119.74 126.64 2ee8 s LYS 15 Ca -0.07 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2ee8 s LYS 15 Cb -0.09 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2ee8 s LYS 15 CO -0.19 0.23 -0.02 0.21 -0.36 0.00 0.00 175.35 175.22 2ee8 s LYS 16 N 0.42 0.17 0.12 4.03 2.47 -1.26 -5.16 119.74 120.53 2ee8 s LYS 16 Ca -0.01 -0.23 -0.10 0.00 -1.56 0.00 0.00 55.97 54.07 2ee8 s LYS 16 Cb -0.14 -0.05 0.00 0.00 -1.46 0.00 0.00 37.83 36.19 2ee8 s LYS 16 CO 0.02 0.01 0.25 -1.83 0.16 0.00 0.00 175.35 173.96 2ee8 s GLU 17 N -0.48 0.99 0.10 4.03 1.03 -1.26 -5.06 118.70 118.05 2ee8 s GLU 17 Ca -0.04 -1.01 0.10 0.00 0.03 0.00 0.00 54.97 54.05 2ee8 s GLU 17 Cb -0.03 0.37 -0.04 0.00 -0.80 0.00 0.00 34.13 33.63 2ee8 s GLU 17 CO -0.00 -0.35 -0.26 -0.06 -1.33 0.00 0.00 175.26 173.26 2ee8 s PHE 18 N -3.89 2.23 -0.03 4.83 0.08 -1.26 -5.07 117.98 114.87 2ee8 s PHE 18 Ca 0.09 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2ee8 s PHE 18 Cb 0.04 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2ee8 s PHE 18 CO -0.07 0.26 -0.10 0.42 -0.10 0.00 0.00 175.22 175.62 2ee8 s ILE 19 N -0.99 0.91 1.05 0.64 1.01 -1.26 -3.06 121.20 119.49 2ee8 s ILE 19 Ca 0.12 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.15 2ee8 s ILE 19 Cb -0.10 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2ee8 s ILE 19 CO 0.05 0.28 -0.54 0.00 0.00 0.00 0.00 174.94 174.73 2ee8 n LYS 21 N -0.04 3.06 -0.01 0.00 2.85 -1.26 -3.64 118.16 119.12 2ee8 n LYS 21 Ca 0.00 -0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2ee8 n LYS 21 Cb 0.65 -1.13 -0.09 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 -0.09 0.00 5.58 0.04 -2.01 -3.39 116.94 117.07 2ee8 h PHE 22 Ca -0.13 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 2ee8 h PHE 22 Cb 1.26 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2ee8 h PHE 22 CO 0.00 0.49 -1.70 0.00 -0.60 0.00 0.00 178.31 176.50 2ee8 n GLY 24 N 1.81 -0.79 3.33 0.00 0.00 -1.24 -5.01 105.19 103.29 2ee8 n GLY 24 Ca -0.07 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.63 1.88 0.24 1.61 6.06 -1.26 -4.77 118.95 120.08 2ee8 s ARG 25 Ca 0.03 -1.05 -0.19 0.00 -2.50 0.00 0.00 55.73 52.03 2ee8 s ARG 25 Cb -0.01 -1.98 -0.08 0.00 0.06 0.00 0.00 34.95 32.94 2ee8 s ARG 25 CO 0.33 0.52 0.72 -1.01 -2.50 0.00 0.00 175.30 173.37 2ee8 s HIS 26 N -0.74 3.59 0.02 5.12 3.76 -1.26 -1.31 115.29 124.46 2ee8 s HIS 26 Ca 0.11 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.38 2ee8 s HIS 26 Cb -0.10 -2.60 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 2ee8 s HIS 26 CO 0.01 0.29 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.09 2ee8 s PHE 27 N -1.62 0.32 0.19 1.40 0.40 -1.17 -5.01 117.98 112.50 2ee8 s PHE 27 Ca 0.45 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 2ee8 s PHE 27 Cb -0.15 -0.21 0.07 0.00 0.51 0.00 0.00 43.02 43.24 2ee8 s PHE 27 CO 0.20 -0.09 1.44 1.15 0.70 0.00 0.00 175.22 178.62 2ee8 h THR 28 N 4.80 1.53 -3.21 0.64 2.02 -1.98 -3.39 112.91 113.33 2ee8 h THR 28 Ca -0.30 -2.64 -0.51 0.00 0.77 0.00 0.00 66.41 63.73 2ee8 h THR 28 Cb 1.21 2.44 -0.17 0.00 -1.74 0.00 0.00 68.15 69.89 2ee8 h THR 28 CO 0.45 0.76 -0.77 -1.59 0.37 0.00 0.00 175.52 174.74 2ee8 s LYS 29 N -3.23 1.29 0.12 6.66 0.00 -1.26 -5.00 119.74 118.32 2ee8 s LYS 29 Ca -0.01 -1.44 -0.07 0.00 0.00 0.00 0.00 55.97 54.45 2ee8 s LYS 29 Cb 0.11 -1.29 -0.10 0.00 0.00 0.00 0.00 37.83 36.55 2ee8 s LYS 29 CO 0.80 0.25 1.31 1.03 0.00 0.00 0.00 175.35 178.74 2ee8 h SER 30 N 3.12 0.65 0.08 0.03 0.87 -1.97 -3.18 113.55 113.14 2ee8 h SER 30 Ca -0.41 -0.49 0.01 0.00 -1.23 0.00 0.00 61.79 59.67 2ee8 h SER 30 Cb 1.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2ee8 h SER 30 CO 0.53 1.28 -0.16 0.22 -0.53 0.00 0.00 176.83 178.17 2ee8 h TYR 31 N 0.31 -0.42 -0.66 2.24 5.03 -2.00 -1.82 116.97 119.65 2ee8 h TYR 31 Ca -0.08 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.34 2ee8 h TYR 31 Cb 1.53 0.17 -0.04 0.00 1.55 0.00 0.00 36.73 39.94 2ee8 h TYR 31 CO 0.07 -0.24 0.44 -0.97 -1.32 0.00 0.00 178.16 176.14 2ee8 h ASN 32 N -0.30 0.44 -0.43 -2.11 -1.24 -2.00 -1.43 115.58 108.51 2ee8 h ASN 32 Ca 0.03 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2ee8 h ASN 32 Cb 0.33 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 2ee8 h ASN 32 CO -0.10 0.26 0.22 0.25 -1.29 0.00 0.00 177.43 176.77 2ee8 h LEU 33 N 0.49 0.54 -0.67 0.34 5.85 -1.33 -1.43 115.31 119.10 2ee8 h LEU 33 Ca 0.30 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 2ee8 h LEU 33 Cb 0.54 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2ee8 h LEU 33 CO -0.09 0.49 0.17 0.17 -0.34 0.00 0.00 178.44 178.84 2ee8 h LEU 34 N 0.55 1.01 -0.69 2.25 8.10 -0.80 -2.40 115.31 123.34 2ee8 h LEU 34 Ca 0.15 -0.23 -0.02 0.00 0.11 0.00 0.00 57.88 57.89 2ee8 h LEU 34 Cb 0.08 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.00 2ee8 h LEU 34 CO -0.02 0.98 0.37 0.40 -4.11 0.00 0.00 178.44 176.05 2ee8 h ILE 35 N 1.00 1.22 -0.32 0.15 2.04 -1.12 -2.38 117.51 118.09 2ee8 h ILE 35 Ca 0.21 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2ee8 h ILE 35 Cb 0.35 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2ee8 h ILE 35 CO 0.00 0.24 -0.01 -0.74 0.00 0.00 0.00 178.15 177.64 2ee8 h HIS 36 N 0.95 0.51 -0.02 1.37 2.76 -1.05 -1.89 115.15 117.77 2ee8 h HIS 36 Ca 0.24 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2ee8 h HIS 36 Cb 0.06 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 2ee8 h HIS 36 CO -0.00 0.51 0.08 0.93 -1.30 0.00 0.00 177.93 178.15 2ee8 h GLU 37 N 0.48 0.00 -0.64 5.26 5.08 -0.91 -1.21 114.58 122.64 2ee8 h GLU 37 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2ee8 h GLU 37 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2ee8 h GLU 37 CO 0.01 0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.09 2ee8 h ARG 38 N 0.00 1.07 0.00 2.33 3.08 -1.34 -2.27 114.38 117.25 2ee8 h ARG 38 Ca 0.01 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 2ee8 h ARG 38 Cb 0.17 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2ee8 h ARG 38 CO -0.00 1.00 -0.01 1.79 -1.07 0.00 0.00 179.97 181.68 2ee8 h THR 39 N 1.00 0.16 0.02 2.04 1.35 -1.36 -3.18 112.91 112.93 2ee8 h THR 39 Ca 0.19 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2ee8 h THR 39 Cb 0.47 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2ee8 h THR 39 CO 0.02 0.01 -0.01 0.45 -0.25 0.00 0.00 175.52 175.74 2ee8 h HIS 40 N 0.00 -0.02 -2.80 4.73 3.86 -1.50 -3.46 115.15 115.96 2ee8 h HIS 40 Ca -0.00 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2ee8 h HIS 40 Cb 0.10 0.01 0.13 0.00 1.06 0.00 0.00 27.41 28.70 2ee8 h HIS 40 CO 0.00 -0.01 0.07 -2.37 0.86 0.00 0.00 177.93 176.48 2ee8 n THR 41 N -2.54 2.24 -2.42 2.45 5.66 -1.14 -4.89 114.28 113.64 2ee8 n THR 41 Ca -0.00 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.07 2ee8 n THR 41 Cb 0.01 -1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 67.74 2ee8 n THR 41 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2ee8 s ASP 42 N -0.72 7.02 -0.06 1.09 1.01 -1.26 -4.94 116.67 118.80 2ee8 s ASP 42 Ca 0.62 1.85 -0.08 0.00 0.71 0.00 0.00 52.55 55.65 2ee8 s ASP 42 Cb -0.60 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 40.73 2ee8 s ASP 42 CO 0.58 -0.61 0.23 -1.83 0.21 0.00 0.00 175.17 173.74 2ee8 s GLU 43 N 2.31 3.58 -0.20 8.23 4.04 -1.26 -5.09 118.70 130.31 2ee8 s GLU 43 Ca 0.57 -0.00 0.01 0.00 0.04 0.00 0.00 54.97 55.59 2ee8 s GLU 43 Cb -0.25 -3.17 0.04 0.00 0.02 0.00 0.00 34.13 30.76 2ee8 s GLU 43 CO 0.22 0.73 -0.14 -0.98 -1.84 0.00 0.00 175.26 173.25 2ee8 s ARG 44 N -1.23 2.45 -0.02 -4.83 3.03 -1.26 -5.02 118.95 112.06 2ee8 s ARG 44 Ca 0.20 -0.90 -0.25 0.00 2.03 0.00 0.00 55.73 56.81 2ee8 s ARG 44 Cb -0.13 -2.52 -0.19 0.00 -1.03 0.00 0.00 34.95 31.07 2ee8 s ARG 44 CO 0.09 -0.35 1.22 -1.00 -1.13 0.00 0.00 175.30 174.13 2ee8 h PRO 45 N 7.93 -0.07 -4.97 3.89 0.13 -1.97 -3.37 132.00 133.56 2ee8 h PRO 45 Ca -0.34 0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.37 2ee8 h PRO 45 Cb 1.11 0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.31 2ee8 h PRO 45 CO 0.54 0.39 1.25 0.66 -0.23 0.00 0.00 178.00 180.60 2ee8 n TYR 46 N -4.90 1.21 -3.76 1.56 4.02 -1.26 -4.87 117.16 109.17 2ee8 n TYR 46 Ca -0.08 -0.95 -0.36 0.00 -0.01 0.00 0.00 57.90 56.50 2ee8 n TYR 46 Cb 0.25 -1.78 -0.10 0.00 -0.02 0.00 0.00 39.34 37.69 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 9.64 5.00 1.08 -0.72 2.01 -1.26 -3.30 115.64 128.09 2ee8 s THR 47 Ca 0.69 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 2ee8 s THR 47 Cb 0.07 -3.32 0.21 0.00 0.01 0.00 0.00 72.50 69.47 2ee8 s THR 47 CO 0.21 0.36 0.43 0.00 -0.69 0.00 0.00 174.62 174.93 2ee8 n ASP 49 N -2.03 0.03 0.00 0.00 -0.08 -1.26 -4.17 116.55 109.04 2ee8 n ASP 49 Ca 0.07 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2ee8 n ASP 49 Cb 0.39 1.87 0.00 0.00 2.34 0.00 0.00 41.12 45.72 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2ee8 n ILE 50 N -2.31 0.00 0.39 5.18 5.41 -1.26 -4.74 119.36 122.03 2ee8 n ILE 50 Ca -0.06 0.03 0.05 0.00 1.00 0.00 0.00 62.75 63.77 2ee8 n ILE 50 Cb 0.61 -0.96 0.23 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 -1.44 -1.25 -1.51 0.00 8.25 -1.26 -4.89 115.22 113.12 2ee8 n HIS 52 Ca 0.03 0.68 -0.22 0.00 -0.26 0.00 0.00 57.72 57.96 2ee8 n HIS 52 Cb 0.11 -2.22 0.16 0.00 1.12 0.00 0.00 29.99 29.16 2ee8 n HIS 52 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ee8 n LYS 53 N -4.22 -1.33 -5.21 -0.41 5.02 -1.26 -4.51 118.16 106.24 2ee8 n LYS 53 Ca 0.01 -1.48 -0.31 0.00 -2.02 0.00 0.00 58.31 54.51 2ee8 n LYS 53 Cb 0.51 -1.06 -0.16 0.00 -0.02 0.00 0.00 35.03 34.31 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 -3.77 2.14 0.19 7.82 0.00 -1.26 -2.94 121.76 123.95 2ee8 s ALA 54 Ca 0.55 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2ee8 s ALA 54 Cb -0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2ee8 s ALA 54 CO 0.40 0.52 0.21 -0.06 0.00 0.00 0.00 175.76 176.83 2ee8 s PHE 55 N -0.64 0.78 -0.08 0.00 0.40 -1.21 -5.07 117.98 112.16 2ee8 s PHE 55 Ca 0.10 -1.09 -0.01 0.00 -0.60 0.00 0.00 56.93 55.33 2ee8 s PHE 55 Cb -0.10 -0.29 -0.05 0.00 0.51 0.00 0.00 43.02 43.09 2ee8 s PHE 55 CO -0.00 -0.70 -0.08 -2.13 0.70 0.00 0.00 175.22 173.00 2ee8 n ARG 56 N -0.24 0.20 -3.36 0.44 3.00 -1.26 -4.63 116.66 110.81 2ee8 n ARG 56 Ca -0.02 0.06 -0.34 0.00 -0.00 0.00 0.00 57.85 57.54 2ee8 n ARG 56 Cb 0.64 -1.06 -0.06 0.00 0.00 0.00 0.00 32.46 31.98 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 -2.16 3.94 -0.02 -0.14 3.00 -1.26 -5.01 118.95 117.30 2ee8 s ARG 57 Ca -0.11 0.45 -0.23 0.00 0.00 0.00 0.00 55.73 55.84 2ee8 s ARG 57 Cb 0.03 -2.82 -0.21 0.00 0.00 0.00 0.00 34.95 31.95 2ee8 s ARG 57 CO 0.18 0.41 1.13 1.96 0.00 0.00 0.00 175.30 178.98 2ee8 h GLN 58 N 3.19 0.25 0.00 3.54 4.20 -1.99 -3.04 115.11 121.26 2ee8 h GLN 58 Ca -0.48 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.01 2ee8 h GLN 58 Cb 1.19 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2ee8 h GLN 58 CO 0.67 0.89 -0.01 -0.44 -0.67 0.00 0.00 178.83 179.27 2ee8 h ASP 59 N -0.31 0.00 1.25 1.46 3.32 -1.98 0.25 116.42 120.41 2ee8 h ASP 59 Ca -0.02 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 2ee8 h ASP 59 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2ee8 h ASP 59 CO 0.06 0.01 -0.75 0.45 -1.72 0.00 0.00 179.24 177.28 2ee8 h HIS 60 N 0.00 0.00 0.00 4.55 3.86 -1.96 -3.11 115.15 118.49 2ee8 h HIS 60 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2ee8 h HIS 60 Cb 0.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2ee8 h HIS 60 CO 0.00 0.75 -1.90 -0.11 0.86 0.00 0.00 177.93 177.53 2ee8 n LEU 61 N -3.29 0.24 -0.04 2.43 7.94 -0.54 -2.84 117.00 120.89 2ee8 n LEU 61 Ca 0.01 0.10 -0.11 0.00 -1.11 0.00 0.00 56.01 54.90 2ee8 n LEU 61 Cb 0.84 0.14 0.03 0.00 0.53 0.00 0.00 43.42 44.96 2ee8 n LEU 61 CO 0.44 0.14 0.50 0.08 -1.11 0.00 0.00 177.39 177.44 2ee8 h ARG 62 N 0.00 0.70 0.00 1.96 -0.00 -0.63 -3.22 114.38 113.19 2ee8 h ARG 62 Ca -0.18 -0.41 -0.27 0.00 -0.00 0.00 0.00 59.98 59.12 2ee8 h ARG 62 Cb 1.44 0.03 -0.05 0.00 -0.00 0.00 0.00 29.97 31.39 2ee8 h ARG 62 CO 0.02 1.03 -1.76 -3.47 -0.00 0.00 0.00 179.97 175.79 2ee8 n ASP 63 N -4.00 0.72 -0.25 0.08 2.03 -1.18 -4.22 116.55 109.73 2ee8 n ASP 63 Ca -0.03 0.34 0.05 0.00 0.52 0.00 0.00 54.79 55.67 2ee8 n ASP 63 Cb 0.58 0.19 0.18 0.00 -0.72 0.00 0.00 41.12 41.35 2ee8 n ASP 63 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2ee8 h HIS 64 N 0.00 0.40 0.00 -0.67 -0.00 -1.56 0.37 115.15 113.69 2ee8 h HIS 64 Ca -0.30 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2ee8 h HIS 64 Cb 1.94 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 29.29 2ee8 h HIS 64 CO 0.00 -0.01 0.50 0.00 -0.00 0.00 0.00 177.93 178.42 2ee8 h ARG 65 N 0.36 0.00 -0.27 5.26 3.08 -1.73 0.20 114.38 121.28 2ee8 h ARG 65 Ca 0.41 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.52 2ee8 h ARG 65 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2ee8 h ARG 65 CO -0.45 0.00 0.19 -0.92 -1.07 0.00 0.00 179.97 177.72 2ee8 h TYR 66 N 0.00 0.08 -0.12 3.04 3.20 -0.52 -0.36 116.97 122.29 2ee8 h TYR 66 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2ee8 h TYR 66 Cb 1.00 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2ee8 h TYR 66 CO 0.00 0.04 -0.11 -0.84 -1.64 0.00 0.00 178.16 175.62 2ee8 h ILE 67 N 0.08 1.15 -3.18 1.81 3.07 -0.78 -3.41 117.51 116.24 2ee8 h ILE 67 Ca 0.12 -0.64 -0.57 0.00 1.55 0.00 0.00 64.86 65.32 2ee8 h ILE 67 Cb 0.39 1.18 -0.06 0.00 -0.27 0.00 0.00 36.82 38.06 2ee8 h ILE 67 CO -0.01 0.20 0.64 -1.00 -1.05 0.00 0.00 178.15 176.93 2ee8 s HIS 68 N -4.78 3.41 1.23 0.16 3.76 -0.15 -5.03 115.29 113.89 2ee8 s HIS 68 Ca -0.05 1.46 -0.18 0.00 -0.15 0.00 0.00 55.06 56.14 2ee8 s HIS 68 Cb 0.16 -3.19 0.25 0.00 1.11 0.00 0.00 32.58 30.91 2ee8 s HIS 68 CO 0.72 -0.36 0.59 0.43 -0.85 0.00 0.00 174.74 175.27 2ee8 n SER 69 N 5.72 -2.86 -4.37 1.40 7.64 -1.26 -4.89 113.62 114.99 2ee8 n SER 69 Ca 0.09 -0.41 -0.44 0.00 1.01 0.00 0.00 58.87 59.12 2ee8 n SER 69 Cb 0.47 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2ee8 n SER 69 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2ee8 n LYS 70 N -3.92 3.51 -0.88 1.43 3.00 -1.26 -5.03 118.16 115.00 2ee8 n LYS 70 Ca 0.05 -4.21 -0.34 0.00 -0.00 0.00 0.00 58.31 53.81 2ee8 n LYS 70 Cb 0.54 -2.75 0.09 0.00 0.00 0.00 0.00 35.03 32.91 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2ee8 n GLU 71 N 3.81 -0.23 -2.64 1.64 2.13 -1.26 -4.90 120.64 119.18 2ee8 n GLU 71 Ca 0.29 -0.05 -0.39 0.00 0.66 0.00 0.00 57.16 57.68 2ee8 n GLU 71 Cb 0.40 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.61 2ee8 n GLU 71 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2ee8 s LYS 72 N -2.87 4.60 0.20 5.31 0.00 -1.26 -4.97 119.74 120.74 2ee8 s LYS 72 Ca 0.49 1.54 -0.04 0.00 0.00 0.00 0.00 55.97 57.96 2ee8 s LYS 72 Cb -0.18 -2.99 0.14 0.00 0.00 0.00 0.00 37.83 34.80 2ee8 s LYS 72 CO 0.74 0.25 1.55 -1.00 0.00 0.00 0.00 175.35 176.89 2ee8 h PRO 73 N 3.50 0.66 -0.71 1.78 0.13 -2.01 -3.28 132.00 132.07 2ee8 h PRO 73 Ca -0.47 -0.34 0.12 0.00 -0.87 0.00 0.00 66.00 64.44 2ee8 h PRO 73 Cb 1.20 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2ee8 h PRO 73 CO 0.66 0.95 -0.26 0.34 -0.23 0.00 0.00 178.00 179.46 2ee8 n PHE 74 N -4.03 0.06 -3.77 1.56 7.35 -1.26 -3.69 117.46 113.68 2ee8 n PHE 74 Ca -0.02 0.88 -0.37 0.00 -0.76 0.00 0.00 57.45 57.18 2ee8 n PHE 74 Cb 0.53 -0.79 -0.13 0.00 0.35 0.00 0.00 39.48 39.44 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2ee8 s LYS 75 N -5.71 3.37 0.72 -4.13 2.47 -1.24 -4.57 119.74 110.64 2ee8 s LYS 75 Ca -0.10 -0.67 -0.16 0.00 -1.56 0.00 0.00 55.97 53.48 2ee8 s LYS 75 Cb 0.15 -3.32 0.03 0.00 -1.46 0.00 0.00 37.83 33.23 2ee8 s LYS 75 CO 0.52 -0.31 1.22 0.00 0.16 0.00 0.00 175.35 176.94 2ee8 n GLN 77 N -2.45 0.73 0.00 0.00 0.00 -1.26 -3.04 117.38 111.35 2ee8 n GLN 77 Ca 0.15 0.23 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 2ee8 n GLN 77 Cb 0.49 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ee8 n GLU 78 N -3.41 0.00 -0.02 3.69 -0.58 -1.26 -4.41 120.64 114.65 2ee8 n GLU 78 Ca -0.36 0.31 -0.22 0.00 -0.42 0.00 0.00 57.16 56.47 2ee8 n GLU 78 Cb 1.03 -1.30 -0.13 0.00 -0.57 0.00 0.00 31.44 30.46 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 1.77 0.19 3.55 0.00 0.00 -1.17 -5.01 105.19 104.52 2ee8 n GLY 80 Ca -0.30 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ee8 n LYS 81 N -2.09 -0.93 -1.65 1.61 5.02 -1.26 -4.83 118.16 114.04 2ee8 n LYS 81 Ca -0.05 -2.04 -0.36 0.00 -2.02 0.00 0.00 58.31 53.85 2ee8 n LYS 81 Cb 0.55 -1.11 0.04 0.00 -0.02 0.00 0.00 35.03 34.49 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ee8 n GLY 82 N -2.77 5.40 3.67 0.72 0.00 -1.26 -4.50 105.19 106.44 2ee8 n GLY 82 Ca 0.15 -2.28 -0.50 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.42 2.17 -1.83 1.61 3.72 -1.26 -4.87 117.46 116.57 2ee8 n PHE 83 Ca 0.55 0.23 -0.17 0.00 -0.05 0.00 0.00 57.45 58.00 2ee8 n PHE 83 Cb 0.41 -2.56 0.08 0.00 -0.94 0.00 0.00 39.48 36.47 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ee8 s GLN 85 N -3.52 1.37 -0.13 0.00 -1.52 -1.26 -5.10 119.66 109.50 2ee8 s GLN 85 Ca 0.49 -1.66 -0.13 0.00 -1.95 0.00 0.00 55.36 52.11 2ee8 s GLN 85 Cb 0.41 0.31 -0.05 0.00 -0.22 0.00 0.00 33.01 33.46 2ee8 s GLN 85 CO 0.01 -0.48 -0.26 0.43 -0.25 0.00 0.00 175.29 174.74 2ee8 n SER 86 N -0.56 1.68 0.00 5.90 7.64 -1.26 -4.21 113.62 122.81 2ee8 n SER 86 Ca 0.03 0.28 0.07 0.00 1.01 0.00 0.00 58.87 60.26 2ee8 n SER 86 Cb 0.65 -0.63 0.44 0.00 -1.01 0.00 0.00 64.21 63.65 2ee8 n SER 86 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2ee8 n ARG 87 N -4.16 0.73 -0.12 1.43 0.00 -1.26 -3.20 116.66 110.07 2ee8 n ARG 87 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.44 2ee8 n ARG 87 Cb 0.46 -1.32 -0.11 0.00 -0.00 0.00 0.00 32.46 31.49 2ee8 n ARG 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2ee8 n THR 88 N -0.82 1.54 -0.03 8.89 -1.04 -1.26 -4.28 114.28 117.29 2ee8 n THR 88 Ca 0.11 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 2ee8 n THR 88 Cb 0.05 -1.82 -0.05 0.00 -1.82 0.00 0.00 70.33 66.70 2ee8 n THR 88 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ee8 h LEU 89 N -0.74 0.18 -0.78 -4.42 5.85 -1.72 -2.13 115.31 111.56 2ee8 h LEU 89 Ca -0.59 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.26 2ee8 h LEU 89 Cb 1.64 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.48 2ee8 h LEU 89 CO -0.29 0.17 -0.04 0.00 -0.34 0.00 0.00 178.44 177.94 2ee8 h ALA 90 N 1.02 0.75 0.38 1.25 0.00 -1.79 -1.39 119.26 119.49 2ee8 h ALA 90 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2ee8 h ALA 90 Cb 0.02 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ee8 h ALA 90 CO -0.01 -0.43 -0.18 0.28 0.00 0.00 0.00 179.25 178.90 2ee8 h VAL 91 N 0.07 0.59 -0.96 0.00 2.07 -1.68 -3.15 116.25 113.19 2ee8 h VAL 91 Ca 0.42 -0.44 0.23 0.00 0.82 0.00 0.00 66.70 67.73 2ee8 h VAL 91 Cb 0.73 0.80 -0.18 0.00 -1.52 0.00 0.00 31.29 31.12 2ee8 h VAL 91 CO -0.72 0.08 -0.08 -0.74 0.02 0.00 0.00 177.57 176.13 2ee8 h HIS 92 N -0.78 -0.23 -0.85 1.57 6.17 -0.62 0.23 115.15 120.65 2ee8 h HIS 92 Ca -0.05 0.08 0.20 0.00 0.71 0.00 0.00 60.37 61.31 2ee8 h HIS 92 Cb 0.52 0.25 -0.16 0.00 2.52 0.00 0.00 27.41 30.55 2ee8 h HIS 92 CO 0.01 -0.41 -0.10 1.63 0.71 0.00 0.00 177.93 179.77 2ee8 n LYS 93 N -5.52 -0.07 -0.38 5.26 5.02 -0.62 0.08 118.16 121.93 2ee8 n LYS 93 Ca 0.19 1.30 -0.03 0.00 -2.02 0.00 0.00 58.31 57.75 2ee8 n LYS 93 Cb 0.63 -2.00 0.01 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.01 -1.22 -0.18 1.35 -0.67 0.81 112.91 113.00 2ee8 h THR 94 Ca 0.46 0.00 0.43 0.00 -0.55 0.00 0.00 66.41 66.76 2ee8 h THR 94 Cb 0.84 0.01 -0.15 0.00 -1.73 0.00 0.00 68.15 67.13 2ee8 h THR 94 CO -0.84 0.00 0.75 -0.07 -0.25 0.00 0.00 175.52 175.11 2ee8 h LEU 95 N -0.02 0.28 -4.17 3.87 3.38 -0.51 0.47 115.31 118.60 2ee8 h LEU 95 Ca 0.30 0.18 -0.42 0.00 0.09 0.00 0.00 57.88 58.03 2ee8 h LEU 95 Cb 0.56 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.33 2ee8 h LEU 95 CO -0.96 -0.27 0.32 1.41 0.09 0.00 0.00 178.44 179.03 2ee8 n HIS 96 N -4.89 1.42 -3.75 1.13 8.25 0.28 -4.86 115.22 112.80 2ee8 n HIS 96 Ca 0.38 -1.90 -0.13 0.00 -0.26 0.00 0.00 57.72 55.81 2ee8 n HIS 96 Cb 1.40 -1.28 -0.09 0.00 1.12 0.00 0.00 29.99 31.14 2ee8 n HIS 96 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ee8 s MET 97 N -1.48 0.65 0.20 -0.41 -1.94 0.16 -5.05 119.30 111.43 2ee8 s MET 97 Ca 0.51 -0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.35 2ee8 s MET 97 Cb 0.34 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 37.41 2ee8 s MET 97 CO -0.14 -0.17 0.44 -0.65 -0.01 0.00 0.00 175.02 174.48 2ee8 s GLN 98 N -1.15 3.61 -0.97 2.03 -1.52 -1.26 -5.03 119.66 115.37 2ee8 s GLN 98 Ca -0.12 -0.10 -0.19 0.00 -1.95 0.00 0.00 55.36 53.00 2ee8 s GLN 98 Cb -0.05 -2.78 0.12 0.00 -0.22 0.00 0.00 33.01 30.08 2ee8 s GLN 98 CO 0.04 0.38 1.21 0.99 -0.25 0.00 0.00 175.29 177.66 2ee8 s THR 99 N -1.82 4.60 0.21 -0.19 2.01 -1.26 -5.01 115.64 114.17 2ee8 s THR 99 Ca 0.42 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.65 2ee8 s THR 99 Cb -0.11 -4.84 -0.08 0.00 0.01 0.00 0.00 72.50 67.47 2ee8 s THR 99 CO 0.27 -1.60 0.83 -0.55 -0.69 0.00 0.00 174.62 172.88 2ee8 s SER 100 N 3.83 7.43 0.01 3.53 0.15 -1.26 -5.07 113.70 122.31 2ee8 s SER 100 Ca 0.36 1.73 0.01 0.00 0.70 0.00 0.00 55.95 58.75 2ee8 s SER 100 Cb -0.04 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2ee8 s SER 100 CO -0.09 0.15 -0.04 -0.44 1.20 0.00 0.00 173.24 174.02 2ee8 s SER 101 N -1.25 0.49 0.50 5.45 0.01 -1.26 -5.15 113.70 112.50 2ee8 s SER 101 Ca 0.39 -0.23 -0.21 0.00 1.31 0.00 0.00 55.95 57.21 2ee8 s SER 101 Cb -0.23 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 2ee8 s SER 101 CO 0.27 -0.06 1.15 -2.16 0.41 0.00 0.00 173.24 172.85 2ee8 s PRO 102 N -0.60 3.57 0.08 12.44 0.04 -1.26 -5.06 135.00 144.22 2ee8 s PRO 102 Ca -0.03 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2ee8 s PRO 102 Cb -0.04 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2ee8 s PRO 102 CO -0.00 -0.69 -0.07 -0.08 0.04 0.00 0.00 177.00 176.19 2ee8 s THR 103 N -1.65 0.69 -1.52 1.26 -1.32 -1.26 -4.84 115.64 107.01 2ee8 s THR 103 Ca 0.68 -1.69 -0.12 0.00 -1.21 0.00 0.00 61.69 59.35 2ee8 s THR 103 Cb -0.26 -1.38 0.08 0.00 -1.51 0.00 0.00 72.50 69.43 2ee8 s THR 103 CO 0.31 -0.71 0.89 0.00 -2.21 0.00 0.00 174.62 172.90 2ee8 n ALA 104 N 0.40 -1.43 -1.08 11.08 0.00 -1.26 -4.88 120.51 123.34 2ee8 n ALA 104 Ca -0.15 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 2ee8 n ALA 104 Cb 0.59 -3.82 0.07 0.00 0.00 0.00 0.00 19.45 16.29 2ee8 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ee8 n ALA 105 N -4.58 -2.79 0.00 0.00 0.00 -1.26 -5.36 120.51 106.52 2ee8 n ALA 105 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2ee8 n ALA 105 Cb 0.55 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2ee8 n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37