#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 -0.29 -0.12 1.61 0.15 -1.26 -5.09 113.70 108.70 2ee8 s SER 2 Ca 0.00 0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2ee8 s SER 2 Cb 0.00 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2ee8 s SER 2 CO 0.00 -0.43 -0.25 -0.24 1.20 0.00 0.00 173.24 173.52 2ee8 n SER 3 N 0.02 1.63 0.00 5.45 2.88 -1.26 -5.14 113.62 117.21 2ee8 n SER 3 Ca -0.06 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2ee8 n SER 3 Cb 0.60 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2ee8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ee8 n GLY 4 N 1.99 -2.51 3.50 0.46 0.00 -1.26 -5.12 105.19 102.25 2ee8 n GLY 4 Ca -0.16 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.22 -0.58 0.16 1.61 0.01 -1.26 -5.19 113.70 107.23 2ee8 s SER 5 Ca 0.00 0.44 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 2ee8 s SER 5 Cb 0.00 0.51 0.06 0.00 0.21 0.00 0.00 66.02 66.80 2ee8 s SER 5 CO 0.00 -0.67 0.95 -0.44 0.41 0.00 0.00 173.24 173.50 2ee8 s SER 6 N -1.68 -0.17 0.00 2.44 0.01 -1.26 -5.19 113.70 107.85 2ee8 s SER 6 Ca -0.05 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2ee8 s SER 6 Cb -0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2ee8 s SER 6 CO 0.02 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2ee8 n GLY 7 N -0.47 4.01 0.00 3.44 0.00 -1.26 -5.18 105.19 105.73 2ee8 n GLY 7 Ca -0.06 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.78 4.17 3.26 -0.02 0.00 -1.26 -5.15 105.19 104.41 2ee8 n GLY 8 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.38 0.57 -0.02 1.61 1.70 -1.26 -5.16 118.95 113.01 2ee8 s ARG 9 Ca 0.00 1.11 0.04 0.00 -0.47 0.00 0.00 55.73 56.41 2ee8 s ARG 9 Cb 0.00 0.62 -0.01 0.00 -0.57 0.00 0.00 34.95 34.99 2ee8 s ARG 9 CO 0.00 -0.52 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.03 2ee8 s LEU 10 N 2.86 1.97 0.00 -1.89 1.43 -1.26 -5.15 118.68 116.64 2ee8 s LEU 10 Ca 0.14 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2ee8 s LEU 10 Cb -0.14 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.23 2ee8 s LEU 10 CO -0.20 0.17 0.00 -0.81 0.23 0.00 0.00 176.35 175.73 2ee8 n PRO 11 N 2.90 -0.84 -3.42 1.29 -0.04 -1.26 -5.10 135.00 128.53 2ee8 n PRO 11 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2ee8 n PRO 11 Cb 0.54 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.01 2ee8 n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ee8 n SER 12 N -2.73 -0.99 -3.16 3.54 3.41 -1.26 -5.19 113.62 107.23 2ee8 n SER 12 Ca 0.00 -1.30 -0.16 0.00 -0.26 0.00 0.00 58.87 57.15 2ee8 n SER 12 Cb 0.00 1.56 -0.04 0.00 -0.26 0.00 0.00 64.21 65.47 2ee8 n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ee8 n LYS 13 N -0.66 1.07 -3.84 4.33 5.02 -1.26 -5.15 118.16 117.68 2ee8 n LYS 13 Ca 0.02 -1.97 -0.28 0.00 -2.02 0.00 0.00 58.31 54.07 2ee8 n LYS 13 Cb 0.44 0.76 -0.16 0.00 -0.02 0.00 0.00 35.03 36.04 2ee8 n LYS 13 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2ee8 s THR 14 N -2.17 0.90 -0.26 -0.18 -1.32 -1.26 -5.11 115.64 106.24 2ee8 s THR 14 Ca 0.05 -0.60 -0.27 0.00 -1.21 0.00 0.00 61.69 59.66 2ee8 s THR 14 Cb 0.00 -1.19 0.16 0.00 -1.51 0.00 0.00 72.50 69.97 2ee8 s THR 14 CO 0.04 0.01 1.24 -0.75 -2.21 0.00 0.00 174.62 172.95 2ee8 s LYS 15 N 1.71 0.26 -0.01 7.08 2.20 -1.26 -5.17 119.74 124.55 2ee8 s LYS 15 Ca -0.00 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2ee8 s LYS 15 Cb -0.16 0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.28 2ee8 s LYS 15 CO -0.07 -0.06 -0.06 0.21 -0.36 0.00 0.00 175.35 175.00 2ee8 s LYS 16 N -0.51 0.54 0.25 4.03 2.20 -1.26 -5.16 119.74 119.84 2ee8 s LYS 16 Ca 0.05 -0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2ee8 s LYS 16 Cb -0.03 -0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 35.73 2ee8 s LYS 16 CO -0.08 0.12 0.25 -1.21 -0.36 0.00 0.00 175.35 174.07 2ee8 s GLU 17 N -0.05 1.46 0.72 4.03 8.01 -1.26 -5.13 118.70 126.49 2ee8 s GLU 17 Ca 0.01 -1.70 -0.15 0.00 0.01 0.00 0.00 54.97 53.14 2ee8 s GLU 17 Cb -0.04 0.33 0.03 0.00 -4.31 0.00 0.00 34.13 30.14 2ee8 s GLU 17 CO -0.00 -0.53 1.18 -0.06 0.01 0.00 0.00 175.26 175.86 2ee8 s PHE 18 N -3.84 2.15 -0.01 1.61 0.08 -1.26 -4.83 117.98 111.89 2ee8 s PHE 18 Ca 0.37 1.60 0.01 0.00 0.12 0.00 0.00 56.93 59.03 2ee8 s PHE 18 Cb 0.04 -3.40 -0.00 0.00 -0.57 0.00 0.00 43.02 39.09 2ee8 s PHE 18 CO 0.17 -2.42 -0.04 0.42 -0.10 0.00 0.00 175.22 173.24 2ee8 s ILE 19 N -2.08 0.35 1.01 0.64 1.01 -1.26 -2.94 121.20 117.94 2ee8 s ILE 19 Ca 0.72 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 2ee8 s ILE 19 Cb -0.27 -0.31 0.17 0.00 0.01 0.00 0.00 42.46 42.05 2ee8 s ILE 19 CO 0.45 0.11 0.30 0.00 0.00 0.00 0.00 174.94 175.80 2ee8 n LYS 21 N -1.76 1.91 0.05 0.00 2.85 -1.26 -4.22 118.16 115.73 2ee8 n LYS 21 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.19 2ee8 n LYS 21 Cb 0.36 -0.82 -0.09 0.00 -0.65 0.00 0.00 35.03 33.83 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 -0.16 0.00 5.58 -1.00 -2.01 -3.39 116.94 115.96 2ee8 h PHE 22 Ca 0.00 -0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 2ee8 h PHE 22 Cb 0.65 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.21 2ee8 h PHE 22 CO 0.00 0.27 -2.12 0.00 -1.61 0.00 0.00 178.31 174.85 2ee8 n GLY 24 N 2.28 0.70 3.45 0.00 0.00 -1.26 -5.05 105.19 105.32 2ee8 n GLY 24 Ca -0.31 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.54 2.21 0.22 1.61 6.06 -1.26 -4.81 118.95 120.43 2ee8 s ARG 25 Ca 0.00 -0.89 -0.09 0.00 -2.50 0.00 0.00 55.73 52.25 2ee8 s ARG 25 Cb 0.00 -2.24 -0.07 0.00 0.06 0.00 0.00 34.95 32.70 2ee8 s ARG 25 CO 0.00 0.57 0.53 -1.01 -2.50 0.00 0.00 175.30 172.88 2ee8 s HIS 26 N -0.85 3.43 0.10 5.12 3.76 -1.26 -0.69 115.29 124.90 2ee8 s HIS 26 Ca 0.13 0.83 -0.00 0.00 -0.15 0.00 0.00 55.06 55.88 2ee8 s HIS 26 Cb -0.10 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2ee8 s HIS 26 CO 0.04 0.29 -0.00 -0.06 -0.85 0.00 0.00 174.74 174.15 2ee8 s PHE 27 N -1.80 0.80 -0.08 1.40 0.40 -1.15 -5.00 117.98 112.56 2ee8 s PHE 27 Ca 0.46 -1.09 -0.05 0.00 -0.60 0.00 0.00 56.93 55.66 2ee8 s PHE 27 Cb -0.11 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 2ee8 s PHE 27 CO 0.22 -0.36 0.21 1.79 0.70 0.00 0.00 175.22 177.78 2ee8 h THR 28 N 2.95 0.00 -3.02 0.64 1.35 -1.97 -3.40 112.91 109.47 2ee8 h THR 28 Ca -0.35 -0.86 -0.55 0.00 -0.55 0.00 0.00 66.41 64.10 2ee8 h THR 28 Cb 1.17 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2ee8 h THR 28 CO 0.63 0.00 -0.30 -0.54 -0.25 0.00 0.00 175.52 175.06 2ee8 s LYS 29 N -2.14 3.57 0.34 4.72 1.02 -1.26 -4.84 119.74 121.16 2ee8 s LYS 29 Ca -0.03 -0.20 0.10 0.00 0.02 0.00 0.00 55.97 55.87 2ee8 s LYS 29 Cb 0.00 -2.81 0.62 0.00 -0.52 0.00 0.00 37.83 35.12 2ee8 s LYS 29 CO 0.08 0.40 1.78 0.66 -0.92 0.00 0.00 175.35 177.35 2ee8 h SER 30 N 2.25 0.13 -0.03 2.83 4.64 -1.96 -3.07 113.55 118.34 2ee8 h SER 30 Ca -0.47 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 2ee8 h SER 30 Cb 1.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ee8 h SER 30 CO 0.69 0.48 -0.16 0.22 -0.87 0.00 0.00 176.83 177.19 2ee8 h TYR 31 N 0.11 0.22 -0.63 4.77 5.03 -2.00 -3.16 116.97 121.31 2ee8 h TYR 31 Ca 0.01 -0.10 0.18 0.00 2.58 0.00 0.00 58.73 61.40 2ee8 h TYR 31 Cb 0.69 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.91 2ee8 h TYR 31 CO 0.01 0.81 0.53 -0.91 -1.32 0.00 0.00 178.16 177.28 2ee8 h ASN 32 N -0.44 0.00 -0.02 -2.11 -0.26 -1.96 -0.53 115.58 110.27 2ee8 h ASN 32 Ca -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2ee8 h ASN 32 Cb 0.84 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.10 2ee8 h ASN 32 CO 0.03 0.00 -0.01 0.25 -1.06 0.00 0.00 177.43 176.65 2ee8 h LEU 33 N 0.00 0.04 -0.81 1.61 5.85 -1.50 -3.06 115.31 117.45 2ee8 h LEU 33 Ca 0.30 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2ee8 h LEU 33 Cb 1.35 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 2ee8 h LEU 33 CO -0.00 0.42 0.50 0.17 -0.34 0.00 0.00 178.44 179.19 2ee8 h LEU 34 N -0.33 0.80 -0.94 2.25 8.10 -1.14 -1.85 115.31 122.19 2ee8 h LEU 34 Ca 0.01 0.01 0.14 0.00 0.11 0.00 0.00 57.88 58.14 2ee8 h LEU 34 Cb 0.40 -0.16 -0.09 0.00 -0.44 0.00 0.00 40.66 40.38 2ee8 h LEU 34 CO 0.00 0.52 0.56 0.40 -4.11 0.00 0.00 178.44 175.82 2ee8 h ILE 35 N 0.94 0.83 -0.65 0.15 2.04 -1.42 -0.91 117.51 118.48 2ee8 h ILE 35 Ca 0.35 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 2ee8 h ILE 35 Cb 0.12 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2ee8 h ILE 35 CO -0.16 0.15 0.25 -0.74 0.00 0.00 0.00 178.15 177.65 2ee8 h HIS 36 N 0.84 1.01 -0.02 1.37 2.76 -1.24 -2.07 115.15 117.81 2ee8 h HIS 36 Ca 0.49 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.59 2ee8 h HIS 36 Cb 0.59 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ee8 h HIS 36 CO -0.03 0.80 0.41 0.93 -1.30 0.00 0.00 177.93 178.74 2ee8 h GLU 37 N 0.93 0.00 -0.02 5.26 5.08 -0.94 0.18 114.58 125.07 2ee8 h GLU 37 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2ee8 h GLU 37 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ee8 h GLU 37 CO -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.00 2ee8 h ARG 38 N 0.00 0.03 0.00 2.33 3.08 -1.34 -0.32 114.38 118.16 2ee8 h ARG 38 Ca 0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2ee8 h ARG 38 Cb 0.82 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2ee8 h ARG 38 CO -0.00 0.03 -0.18 0.00 -1.07 0.00 0.00 179.97 178.75 2ee8 h THR 39 N 0.03 0.35 0.03 2.04 1.03 -0.82 -3.24 112.91 112.33 2ee8 h THR 39 Ca 0.01 -1.22 -0.17 0.00 -0.01 0.00 0.00 66.41 65.01 2ee8 h THR 39 Cb 0.01 1.95 0.01 0.00 -1.07 0.00 0.00 68.15 69.05 2ee8 h THR 39 CO -0.00 0.17 -0.68 0.45 -0.01 0.00 0.00 175.52 175.46 2ee8 h HIS 40 N 0.00 0.63 -1.86 0.00 3.86 -1.18 -3.42 115.15 113.18 2ee8 h HIS 40 Ca -0.00 -0.36 -0.50 0.00 -1.16 0.00 0.00 60.37 58.34 2ee8 h HIS 40 Cb 0.93 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 2ee8 h HIS 40 CO 0.00 1.20 1.51 0.95 0.86 0.00 0.00 177.93 182.45 2ee8 s THR 41 N -3.08 3.13 -0.46 2.45 -4.23 -1.02 -4.82 115.64 107.61 2ee8 s THR 41 Ca -0.13 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2ee8 s THR 41 Cb 0.03 -3.29 0.45 0.00 1.34 0.00 0.00 72.50 71.03 2ee8 s THR 41 CO 0.83 -0.26 1.53 0.47 -0.54 0.00 0.00 174.62 176.65 2ee8 n ASP 42 N 14.01 6.03 0.02 3.99 9.92 -1.26 -4.62 116.55 144.64 2ee8 n ASP 42 Ca 0.31 -3.77 -0.14 0.00 -0.53 0.00 0.00 54.79 50.66 2ee8 n ASP 42 Cb 0.52 -0.61 -0.14 0.00 -0.64 0.00 0.00 41.12 40.25 2ee8 n ASP 42 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2ee8 h GLU 43 N 2.18 0.13 -3.28 -1.24 4.11 -1.98 -3.41 114.58 111.09 2ee8 h GLU 43 Ca 0.46 -0.23 -0.64 0.00 0.07 0.00 0.00 59.36 59.02 2ee8 h GLU 43 Cb 1.17 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 30.10 2ee8 h GLU 43 CO 1.10 0.89 -0.57 1.03 0.07 0.00 0.00 179.01 181.53 2ee8 s ARG 44 N -2.61 2.26 0.43 1.06 0.52 -1.26 -4.92 118.95 114.43 2ee8 s ARG 44 Ca -0.09 -2.92 0.30 0.00 -0.52 0.00 0.00 55.73 52.50 2ee8 s ARG 44 Cb 0.08 -3.42 1.23 0.00 0.52 0.00 0.00 34.95 33.36 2ee8 s ARG 44 CO 0.82 -1.19 1.88 -1.00 0.02 0.00 0.00 175.30 175.84 2ee8 h PRO 45 N 6.10 0.00 -2.20 3.54 0.13 -1.93 -3.28 132.00 134.35 2ee8 h PRO 45 Ca 0.02 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.71 2ee8 h PRO 45 Cb 0.84 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.87 2ee8 h PRO 45 CO 0.71 0.00 0.79 0.66 -0.23 0.00 0.00 178.00 179.93 2ee8 n TYR 46 N -2.72 1.23 -3.53 1.56 4.02 -1.26 -4.90 117.16 111.55 2ee8 n TYR 46 Ca 0.01 -2.03 -0.37 0.00 -0.01 0.00 0.00 57.90 55.49 2ee8 n TYR 46 Cb 0.26 -1.66 -0.09 0.00 -0.02 0.00 0.00 39.34 37.84 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 -0.35 5.28 1.47 -0.72 2.01 -1.24 -2.67 115.64 119.42 2ee8 s THR 47 Ca 0.63 0.42 -0.24 0.00 0.31 0.00 0.00 61.69 62.80 2ee8 s THR 47 Cb 0.31 -3.61 0.38 0.00 0.01 0.00 0.00 72.50 69.59 2ee8 s THR 47 CO -0.10 0.29 0.86 0.00 -0.69 0.00 0.00 174.62 174.98 2ee8 n ASP 49 N -5.64 0.26 0.01 0.00 8.00 -1.26 -4.03 116.55 113.89 2ee8 n ASP 49 Ca 0.13 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.74 2ee8 n ASP 49 Cb 0.59 1.06 -0.00 0.00 -0.02 0.00 0.00 41.12 42.75 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ee8 n ILE 50 N -2.64 0.51 1.23 0.53 5.41 -1.26 -4.70 119.36 118.44 2ee8 n ILE 50 Ca -0.17 0.20 0.11 0.00 1.00 0.00 0.00 62.75 63.90 2ee8 n ILE 50 Cb 0.88 -1.36 0.61 0.00 -0.71 0.00 0.00 39.64 39.05 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 -1.13 -0.90 -1.90 0.00 8.25 -1.26 -4.83 115.22 113.46 2ee8 n HIS 52 Ca 0.14 0.48 -0.30 0.00 -0.26 0.00 0.00 57.72 57.78 2ee8 n HIS 52 Cb 0.12 -1.71 0.05 0.00 1.12 0.00 0.00 29.99 29.57 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 -5.94 2.81 -0.12 -0.41 1.02 -1.26 -4.38 119.74 111.46 2ee8 s LYS 53 Ca 0.33 0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.70 2ee8 s LYS 53 Cb -0.19 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2ee8 s LYS 53 CO 0.75 -1.06 0.03 0.00 -0.92 0.00 0.00 175.35 174.16 2ee8 s ALA 54 N -3.36 3.36 0.23 5.17 0.00 -1.25 -2.21 121.76 123.70 2ee8 s ALA 54 Ca 0.58 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2ee8 s ALA 54 Cb -0.11 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2ee8 s ALA 54 CO 0.51 0.44 0.09 -0.06 0.00 0.00 0.00 175.76 176.75 2ee8 s PHE 55 N -0.44 1.36 -0.16 0.00 0.40 -1.09 -5.05 117.98 113.01 2ee8 s PHE 55 Ca 0.09 -1.23 -0.05 0.00 -0.60 0.00 0.00 56.93 55.14 2ee8 s PHE 55 Cb -0.12 -0.76 -0.08 0.00 0.51 0.00 0.00 43.02 42.58 2ee8 s PHE 55 CO 0.02 -0.42 -0.18 -2.13 0.70 0.00 0.00 175.22 173.21 2ee8 n ARG 56 N -0.36 0.35 -3.15 0.44 0.63 -1.26 -4.61 116.66 108.70 2ee8 n ARG 56 Ca -0.00 0.13 -0.39 0.00 -0.92 0.00 0.00 57.85 56.66 2ee8 n ARG 56 Cb 0.66 -1.14 -0.05 0.00 0.45 0.00 0.00 32.46 32.37 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ee8 s ARG 57 N -2.30 4.38 0.08 -0.14 1.81 -1.26 -4.98 118.95 116.54 2ee8 s ARG 57 Ca -0.22 0.76 -0.25 0.00 -1.72 0.00 0.00 55.73 54.30 2ee8 s ARG 57 Cb 0.08 -3.40 -0.16 0.00 -0.45 0.00 0.00 34.95 31.01 2ee8 s ARG 57 CO 0.30 0.20 1.70 1.96 -0.68 0.00 0.00 175.30 178.79 2ee8 h GLN 58 N 6.28 -0.16 -0.95 3.54 4.20 -1.99 -1.31 115.11 124.72 2ee8 h GLN 58 Ca -0.43 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.36 2ee8 h GLN 58 Cb 1.20 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 2ee8 h GLN 58 CO 0.73 -0.10 0.61 -0.44 -0.67 0.00 0.00 178.83 178.96 2ee8 h ASP 59 N -0.19 0.97 -0.76 1.46 5.19 -1.99 0.56 116.42 121.67 2ee8 h ASP 59 Ca -0.02 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2ee8 h ASP 59 Cb 0.14 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2ee8 h ASP 59 CO 0.03 0.62 0.29 0.45 -3.12 0.00 0.00 179.24 177.51 2ee8 h HIS 60 N 1.11 1.17 -0.10 4.55 3.86 -1.90 0.65 115.15 124.50 2ee8 h HIS 60 Ca 0.41 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 59.37 2ee8 h HIS 60 Cb 0.16 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2ee8 h HIS 60 CO -0.01 0.89 -0.63 1.25 0.86 0.00 0.00 177.93 180.29 2ee8 h LEU 61 N 1.12 0.42 0.35 2.43 5.85 -0.32 -1.12 115.31 124.04 2ee8 h LEU 61 Ca 0.25 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2ee8 h LEU 61 Cb 0.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2ee8 h LEU 61 CO -0.02 0.94 -0.17 0.03 -0.34 0.00 0.00 178.44 178.88 2ee8 h ARG 62 N 0.27 -0.46 0.00 1.25 3.08 -0.56 -3.20 114.38 114.76 2ee8 h ARG 62 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ee8 h ARG 62 Cb 1.16 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2ee8 h ARG 62 CO 0.11 -0.22 0.00 -0.44 -1.07 0.00 0.00 179.97 178.35 2ee8 h ASP 63 N -1.07 0.00 -0.22 7.04 3.32 -0.98 -2.76 116.42 121.75 2ee8 h ASP 63 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ee8 h ASP 63 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2ee8 h ASP 63 CO 0.08 0.00 0.12 -0.74 -1.72 0.00 0.00 179.24 176.98 2ee8 h HIS 64 N 0.00 0.30 -0.17 4.55 -0.00 -1.19 -2.02 115.15 116.62 2ee8 h HIS 64 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2ee8 h HIS 64 Cb 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2ee8 h HIS 64 CO 0.00 0.26 0.75 0.07 -0.00 0.00 0.00 177.93 179.02 2ee8 h ARG 65 N 0.25 0.00 -0.71 5.26 0.11 -1.53 0.17 114.38 117.94 2ee8 h ARG 65 Ca 0.08 0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.36 2ee8 h ARG 65 Cb 0.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 2ee8 h ARG 65 CO -0.01 0.00 0.61 -0.92 0.10 0.00 0.00 179.97 179.75 2ee8 h TYR 66 N 0.00 0.00 0.00 4.08 5.03 -1.54 0.60 116.97 125.14 2ee8 h TYR 66 Ca 0.08 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.31 2ee8 h TYR 66 Cb 1.59 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.85 2ee8 h TYR 66 CO 0.00 0.00 -0.38 -0.84 -1.32 0.00 0.00 178.16 175.62 2ee8 h ILE 67 N 0.00 1.19 -3.16 1.81 3.07 -0.88 -3.42 117.51 116.11 2ee8 h ILE 67 Ca 0.34 -1.34 -0.56 0.00 1.55 0.00 0.00 64.86 64.85 2ee8 h ILE 67 Cb 1.55 1.74 -0.03 0.00 -0.27 0.00 0.00 36.82 39.81 2ee8 h ILE 67 CO -0.00 0.37 0.65 -1.00 -1.05 0.00 0.00 178.15 177.11 2ee8 s HIS 68 N -4.06 3.34 -0.31 0.16 3.76 0.21 -5.02 115.29 113.38 2ee8 s HIS 68 Ca -0.02 1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 56.28 2ee8 s HIS 68 Cb 0.14 -3.31 0.06 0.00 1.11 0.00 0.00 32.58 30.58 2ee8 s HIS 68 CO 0.71 -0.77 0.00 0.45 -0.85 0.00 0.00 174.74 174.29 2ee8 s SER 69 N 1.29 4.85 -0.65 1.40 0.15 -1.26 -5.04 113.70 114.44 2ee8 s SER 69 Ca 0.52 -1.41 -0.27 0.00 0.70 0.00 0.00 55.95 55.48 2ee8 s SER 69 Cb -0.21 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.42 2ee8 s SER 69 CO 0.19 -0.28 1.41 -0.54 1.20 0.00 0.00 173.24 175.22 2ee8 s LYS 70 N 1.20 3.15 -0.47 5.44 -0.14 -1.26 -4.97 119.74 122.69 2ee8 s LYS 70 Ca -0.04 0.15 -0.21 0.00 -1.36 0.00 0.00 55.97 54.51 2ee8 s LYS 70 Cb -0.20 -4.19 0.03 0.00 -1.68 0.00 0.00 37.83 31.80 2ee8 s LYS 70 CO -0.02 -2.15 0.70 -2.00 -0.76 0.00 0.00 175.35 171.12 2ee8 s GLU 71 N 5.84 3.28 0.59 1.68 2.12 -1.26 -5.04 118.70 125.90 2ee8 s GLU 71 Ca 0.46 -0.41 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 2ee8 s GLU 71 Cb -0.10 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 2ee8 s GLU 71 CO 0.20 -1.13 1.22 0.15 -0.54 0.00 0.00 175.26 175.15 2ee8 s LYS 72 N 3.02 2.99 0.21 4.30 1.02 -1.26 -4.91 119.74 125.11 2ee8 s LYS 72 Ca 0.23 1.85 0.22 0.00 0.02 0.00 0.00 55.97 58.29 2ee8 s LYS 72 Cb -0.14 -1.95 0.91 0.00 -0.52 0.00 0.00 37.83 36.13 2ee8 s LYS 72 CO 0.18 -1.20 1.66 -0.35 -0.92 0.00 0.00 175.35 174.73 2ee8 n PRO 73 N -1.54 0.16 -4.24 -1.68 -0.04 -1.26 -4.89 135.00 121.51 2ee8 n PRO 73 Ca 0.13 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 2ee8 n PRO 73 Cb 0.49 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 2ee8 n PRO 73 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ee8 n PHE 74 N -2.10 -1.48 -4.48 0.54 3.01 -1.26 -4.94 117.46 106.76 2ee8 n PHE 74 Ca 0.02 0.71 -0.30 0.00 1.01 0.00 0.00 57.45 58.90 2ee8 n PHE 74 Cb 0.21 -2.93 -0.12 0.00 -0.01 0.00 0.00 39.48 36.63 2ee8 n PHE 74 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2ee8 s LYS 75 N -7.01 1.83 0.55 -1.08 -2.85 -1.26 -4.77 119.74 105.14 2ee8 s LYS 75 Ca 0.36 -1.13 -0.07 0.00 -1.00 0.00 0.00 55.97 54.13 2ee8 s LYS 75 Cb -0.20 -2.10 -0.02 0.00 -2.06 0.00 0.00 37.83 33.45 2ee8 s LYS 75 CO 0.96 0.50 0.87 0.00 0.10 0.00 0.00 175.35 177.78 2ee8 n GLN 77 N -2.47 1.00 0.04 0.00 1.13 -1.26 -3.92 117.38 111.89 2ee8 n GLN 77 Ca 0.03 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.09 2ee8 n GLN 77 Cb 0.56 -1.18 -0.02 0.00 0.11 0.00 0.00 30.24 29.71 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2ee8 h GLU 78 N 0.00 -0.18 0.13 -1.09 4.39 -2.02 -3.33 114.58 112.48 2ee8 h GLU 78 Ca -0.19 0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.19 2ee8 h GLU 78 Cb 1.34 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2ee8 h GLU 78 CO -0.02 -0.12 -1.75 0.00 -1.16 0.00 0.00 179.01 175.96 2ee8 n GLY 80 N 1.86 1.20 3.29 0.00 0.00 -1.25 -5.07 105.19 105.23 2ee8 n GLY 80 Ca -0.29 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.82 -2.55 -3.26 1.61 4.76 -1.26 -4.91 118.16 111.73 2ee8 n LYS 81 Ca 0.00 -0.73 -0.25 0.00 -2.87 0.00 0.00 58.31 54.46 2ee8 n LYS 81 Cb 0.22 -1.85 -0.07 0.00 -1.84 0.00 0.00 35.03 31.49 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ee8 n GLY 82 N 1.75 4.14 3.76 0.72 0.00 -1.26 -4.51 105.19 109.79 2ee8 n GLY 82 Ca 0.03 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 2ee8 n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ee8 s PHE 83 N -2.15 2.90 -0.10 1.61 -0.12 -1.26 -5.04 117.98 113.81 2ee8 s PHE 83 Ca 0.39 -0.20 0.18 0.00 -0.05 0.00 0.00 56.93 57.25 2ee8 s PHE 83 Cb 0.19 -1.40 0.41 0.00 -0.63 0.00 0.00 43.02 41.59 2ee8 s PHE 83 CO -0.07 0.50 1.19 0.00 -0.05 0.00 0.00 175.22 176.79 2ee8 s GLN 85 N -1.55 1.70 -0.01 0.00 2.00 -1.26 -5.04 119.66 115.50 2ee8 s GLN 85 Ca 0.35 -1.45 0.10 0.00 -2.00 0.00 0.00 55.36 52.36 2ee8 s GLN 85 Cb 0.37 -1.94 -0.23 0.00 0.80 0.00 0.00 33.01 32.00 2ee8 s GLN 85 CO -0.11 0.41 0.79 0.66 -0.50 0.00 0.00 175.29 176.54 2ee8 h SER 86 N 3.07 0.02 -0.02 6.67 4.64 -1.97 -3.21 113.55 122.75 2ee8 h SER 86 Ca -0.46 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 2ee8 h SER 86 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ee8 h SER 86 CO 0.50 1.04 -0.04 0.03 -0.87 0.00 0.00 176.83 177.49 2ee8 h ARG 87 N 0.00 0.07 0.86 4.77 2.47 -1.99 -2.81 114.38 117.76 2ee8 h ARG 87 Ca -0.23 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.40 2ee8 h ARG 87 Cb 1.96 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 30.30 2ee8 h ARG 87 CO 0.09 0.61 -0.41 1.15 0.56 0.00 0.00 179.97 181.97 2ee8 h THR 88 N -0.46 0.00 -1.12 2.04 2.02 -1.99 -0.98 112.91 112.41 2ee8 h THR 88 Ca 0.00 -0.02 0.33 0.00 0.77 0.00 0.00 66.41 67.49 2ee8 h THR 88 Cb 0.61 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.91 2ee8 h THR 88 CO 0.01 0.00 0.71 0.25 0.37 0.00 0.00 175.52 176.86 2ee8 h LEU 89 N -1.18 0.40 0.28 2.58 5.85 -1.69 0.34 115.31 121.89 2ee8 h LEU 89 Ca -0.12 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2ee8 h LEU 89 Cb 0.89 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2ee8 h LEU 89 CO 0.19 -0.03 -0.14 0.00 -0.34 0.00 0.00 178.44 178.13 2ee8 h ALA 90 N 1.65 -0.69 -0.02 1.25 0.00 -1.21 -0.98 119.26 119.26 2ee8 h ALA 90 Ca 0.69 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.52 2ee8 h ALA 90 Cb 1.86 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 2ee8 h ALA 90 CO -0.38 -0.66 0.25 -0.24 0.00 0.00 0.00 179.25 178.22 2ee8 h VAL 91 N -0.57 0.03 0.22 0.00 3.04 -0.44 0.28 116.25 118.80 2ee8 h VAL 91 Ca -0.04 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.32 2ee8 h VAL 91 Cb 0.29 0.76 0.02 0.00 -2.01 0.00 0.00 31.29 30.35 2ee8 h VAL 91 CO 0.06 0.00 -1.55 -0.74 -1.01 0.00 0.00 177.57 174.34 2ee8 h HIS 92 N 0.00 0.83 -1.01 3.17 6.17 -0.30 -3.32 115.15 120.69 2ee8 h HIS 92 Ca 0.01 -0.60 0.24 0.00 0.71 0.00 0.00 60.37 60.73 2ee8 h HIS 92 Cb 0.50 -0.03 -0.09 0.00 2.52 0.00 0.00 27.41 30.30 2ee8 h HIS 92 CO 0.00 1.56 0.64 0.87 0.71 0.00 0.00 177.93 181.71 2ee8 h LYS 93 N 0.12 0.46 0.29 5.26 1.57 0.49 -1.53 116.57 123.24 2ee8 h LYS 93 Ca -0.27 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2ee8 h LYS 93 Cb 2.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.30 2ee8 h LYS 93 CO 0.23 0.31 -0.35 1.79 -0.57 0.00 0.00 179.45 180.86 2ee8 h THR 94 N 0.48 0.27 -0.79 -0.16 1.35 -1.64 0.14 112.91 112.56 2ee8 h THR 94 Ca 0.57 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 66.66 2ee8 h THR 94 Cb 1.32 0.27 -0.15 0.00 -1.73 0.00 0.00 68.15 67.86 2ee8 h THR 94 CO -0.30 0.00 0.04 0.18 -0.25 0.00 0.00 175.52 175.18 2ee8 n LEU 95 N -5.45 -0.07 -0.05 3.87 4.77 -0.58 -0.40 117.00 119.08 2ee8 n LEU 95 Ca -0.09 1.34 -0.10 0.00 -0.03 0.00 0.00 56.01 57.13 2ee8 n LEU 95 Cb 0.36 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2ee8 n LEU 95 CO 0.26 -1.36 0.30 0.45 -1.33 0.00 0.00 177.39 175.71 2ee8 h HIS 96 N 0.00 -0.02 -4.20 -1.77 3.86 -1.50 -3.46 115.15 108.07 2ee8 h HIS 96 Ca 0.49 -0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 59.16 2ee8 h HIS 96 Cb 1.03 0.01 0.18 0.00 1.06 0.00 0.00 27.41 29.68 2ee8 h HIS 96 CO -0.38 0.67 0.36 -1.64 0.86 0.00 0.00 177.93 177.80 2ee8 s MET 97 N -2.20 1.74 -0.18 2.45 -1.94 0.46 -5.01 119.30 114.62 2ee8 s MET 97 Ca -0.14 1.79 -0.01 0.00 -1.71 0.00 0.00 55.69 55.63 2ee8 s MET 97 Cb -0.02 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 35.04 2ee8 s MET 97 CO 0.50 -2.15 -0.14 -1.14 -0.01 0.00 0.00 175.02 172.08 2ee8 s GLN 98 N -4.05 3.20 -0.13 2.03 0.74 -1.26 -4.79 119.66 115.40 2ee8 s GLN 98 Ca 0.74 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 55.43 2ee8 s GLN 98 Cb -0.30 -2.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 2ee8 s GLN 98 CO 0.49 -0.10 -0.18 0.99 -0.55 0.00 0.00 175.29 175.94 2ee8 s THR 99 N 1.13 2.56 0.29 -0.34 2.01 -1.26 -5.12 115.64 114.91 2ee8 s THR 99 Ca 0.01 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 2ee8 s THR 99 Cb -0.14 -2.04 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 2ee8 s THR 99 CO -0.05 0.54 0.65 -0.55 -0.69 0.00 0.00 174.62 174.52 2ee8 s SER 100 N 0.47 6.66 0.04 3.53 0.15 -1.26 -5.08 113.70 118.21 2ee8 s SER 100 Ca -0.12 1.07 -0.12 0.00 0.70 0.00 0.00 55.95 57.48 2ee8 s SER 100 Cb -0.17 -2.29 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2ee8 s SER 100 CO 0.05 -0.17 0.39 -0.44 1.20 0.00 0.00 173.24 174.27 2ee8 s SER 101 N -2.46 6.70 1.12 5.45 0.01 -1.26 -5.09 113.70 118.16 2ee8 s SER 101 Ca 0.50 0.85 -0.10 0.00 1.31 0.00 0.00 55.95 58.51 2ee8 s SER 101 Cb -0.11 -2.20 0.14 0.00 0.21 0.00 0.00 66.02 64.07 2ee8 s SER 101 CO 0.21 0.25 0.51 -0.81 0.41 0.00 0.00 173.24 173.81 2ee8 n PRO 102 N 1.34 -2.02 -3.64 12.44 -0.04 -1.26 -5.10 135.00 136.72 2ee8 n PRO 102 Ca -0.11 -0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 62.50 2ee8 n PRO 102 Cb 0.52 -0.77 -0.05 0.00 -0.04 0.00 0.00 33.50 33.17 2ee8 n PRO 102 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ee8 s THR 103 N -1.93 -0.65 0.43 0.52 -1.32 -1.26 -5.17 115.64 106.26 2ee8 s THR 103 Ca 0.33 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.88 2ee8 s THR 103 Cb -0.03 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 2ee8 s THR 103 CO 0.26 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.93 2ee8 s ALA 104 N 2.46 3.84 0.33 11.08 0.00 -1.26 -5.15 121.76 133.06 2ee8 s ALA 104 Ca -0.07 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 2ee8 s ALA 104 Cb -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2ee8 s ALA 104 CO -0.19 -0.22 0.61 0.00 0.00 0.00 0.00 175.76 175.96 2ee8 s ALA 105 N -2.59 -0.23 -0.31 0.00 0.00 -1.26 -5.36 121.76 112.01 2ee8 s ALA 105 Ca 0.41 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2ee8 s ALA 105 Cb 0.01 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.09 2ee8 s ALA 105 CO 0.23 -0.90 0.58 0.45 0.00 0.00 0.00 175.76 176.12