#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 1.92 -4.49 1.61 2.88 -1.26 -5.04 113.62 109.24 2ee8 n SER 2 Ca 0.00 0.39 -0.23 0.00 -1.33 0.00 0.00 58.87 57.70 2ee8 n SER 2 Cb 0.00 -0.81 -0.10 0.00 -0.75 0.00 0.00 64.21 62.54 2ee8 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ee8 s SER 3 N -6.48 3.12 0.34 -3.46 1.04 -1.26 -5.16 113.70 101.85 2ee8 s SER 3 Ca -0.30 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 54.78 2ee8 s SER 3 Cb 0.07 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.98 2ee8 s SER 3 CO 0.43 -0.34 0.65 -0.83 0.98 0.00 0.00 173.24 174.12 2ee8 s GLY 4 N -3.53 0.68 -0.45 7.32 0.00 -1.26 -5.13 107.32 104.96 2ee8 s GLY 4 Ca 0.32 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 2ee8 s GLY 4 CO 0.14 -0.54 0.30 -0.56 0.00 0.00 0.00 173.10 172.45 2ee8 s SER 5 N -3.10 5.66 0.19 1.64 0.01 -1.26 -4.95 113.70 111.89 2ee8 s SER 5 Ca 0.20 -1.73 -0.12 0.00 1.31 0.00 0.00 55.95 55.61 2ee8 s SER 5 Cb -0.03 -2.00 0.13 0.00 0.21 0.00 0.00 66.02 64.33 2ee8 s SER 5 CO 0.13 -0.62 1.82 -1.28 0.41 0.00 0.00 173.24 173.70 2ee8 h SER 6 N 8.42 0.53 0.00 2.44 0.87 -2.04 -3.48 113.55 120.31 2ee8 h SER 6 Ca -0.22 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2ee8 h SER 6 Cb 1.08 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2ee8 h SER 6 CO 0.81 0.37 0.00 0.61 -0.53 0.00 0.00 176.83 178.09 2ee8 n GLY 7 N -1.26 0.68 0.00 5.77 0.00 -1.26 -5.11 105.19 104.02 2ee8 n GLY 7 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.85 0.86 -0.02 0.00 -1.26 -5.00 105.19 98.92 2ee8 n GLY 8 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2ee8 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee8 n ARG 9 N -0.15 0.00 -3.74 1.61 1.74 -1.26 -5.11 116.66 109.74 2ee8 n ARG 9 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2ee8 n ARG 9 Cb 0.00 -0.02 -0.11 0.00 -1.02 0.00 0.00 32.46 31.31 2ee8 n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ee8 s LEU 10 N -4.70 0.52 0.00 0.55 1.43 -1.26 -5.17 118.68 110.05 2ee8 s LEU 10 Ca 0.00 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2ee8 s LEU 10 Cb 0.00 1.15 0.08 0.00 0.03 0.00 0.00 46.19 47.44 2ee8 s LEU 10 CO 0.00 -0.14 0.27 -0.81 0.23 0.00 0.00 176.35 175.90 2ee8 n PRO 11 N 3.31 -1.55 0.10 1.29 -0.04 -1.26 -5.06 135.00 131.78 2ee8 n PRO 11 Ca -0.16 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2ee8 n PRO 11 Cb 0.57 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 -3.47 0.45 -3.20 3.54 3.41 -1.26 -5.11 113.62 107.99 2ee8 n SER 12 Ca 0.04 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 59.01 2ee8 n SER 12 Cb 0.15 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.00 0.23 -0.44 4.33 2.20 -1.26 -5.04 119.74 117.76 2ee8 s LYS 13 Ca 0.00 0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 56.04 2ee8 s LYS 13 Cb 0.00 0.25 0.21 0.00 -1.51 0.00 0.00 37.83 36.78 2ee8 s LYS 13 CO 0.00 -0.20 2.26 0.25 -0.36 0.00 0.00 175.35 177.30 2ee8 n THR 14 N 5.32 3.11 -0.07 3.43 -2.24 -1.26 -4.28 114.28 118.29 2ee8 n THR 14 Ca -0.07 -2.38 -0.14 0.00 -2.27 0.00 0.00 64.05 59.19 2ee8 n THR 14 Cb 0.53 -1.39 -0.05 0.00 -2.10 0.00 0.00 70.33 67.33 2ee8 n THR 14 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2ee8 n LYS 15 N 0.29 0.37 -2.29 -0.78 4.81 -1.26 -5.03 118.16 114.27 2ee8 n LYS 15 Ca 0.42 0.16 -0.29 0.00 -0.87 0.00 0.00 58.31 57.73 2ee8 n LYS 15 Cb 0.56 -1.13 0.01 0.00 0.02 0.00 0.00 35.03 34.49 2ee8 n LYS 15 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2ee8 s LYS 16 N -2.45 3.46 1.10 1.64 -0.14 -1.26 -5.07 119.74 117.03 2ee8 s LYS 16 Ca -0.23 0.40 -0.16 0.00 -1.36 0.00 0.00 55.97 54.62 2ee8 s LYS 16 Cb 0.07 -2.24 0.24 0.00 -1.68 0.00 0.00 37.83 34.22 2ee8 s LYS 16 CO 0.31 -0.43 1.11 -1.21 -0.76 0.00 0.00 175.35 174.37 2ee8 s GLU 17 N -4.96 -0.43 0.21 1.68 0.41 -1.26 -5.07 118.70 109.29 2ee8 s GLU 17 Ca 0.51 0.15 0.04 0.00 -0.41 0.00 0.00 54.97 55.27 2ee8 s GLU 17 Cb -0.11 -1.67 -0.05 0.00 -1.78 0.00 0.00 34.13 30.52 2ee8 s GLU 17 CO 0.49 -3.23 -0.04 -0.06 -0.49 0.00 0.00 175.26 171.93 2ee8 s PHE 18 N -3.04 1.55 0.01 1.61 0.08 -1.26 -5.11 117.98 111.81 2ee8 s PHE 18 Ca 0.69 -0.83 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2ee8 s PHE 18 Cb -0.13 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 2ee8 s PHE 18 CO 0.56 0.06 -0.02 0.42 -0.10 0.00 0.00 175.22 176.14 2ee8 s ILE 19 N -3.31 0.16 1.04 0.64 1.01 -1.26 -3.56 121.20 115.92 2ee8 s ILE 19 Ca 0.25 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2ee8 s ILE 19 Cb 0.04 -0.18 0.06 0.00 0.01 0.00 0.00 42.46 42.39 2ee8 s ILE 19 CO 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 174.94 175.03 2ee8 n LYS 21 N -1.61 1.94 0.18 0.00 2.85 -1.26 -3.76 118.16 116.49 2ee8 n LYS 21 Ca 0.03 0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.16 2ee8 n LYS 21 Cb 0.59 -1.11 -0.08 0.00 -0.65 0.00 0.00 35.03 33.78 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 -0.41 0.00 5.58 0.04 -2.02 -3.38 116.94 116.75 2ee8 h PHE 22 Ca -0.12 -0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.43 2ee8 h PHE 22 Cb 1.23 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.48 2ee8 h PHE 22 CO 0.00 -0.12 -1.78 0.00 -0.60 0.00 0.00 178.31 175.81 2ee8 n GLY 24 N 2.55 -0.08 3.15 0.00 0.00 -1.25 -5.04 105.19 104.52 2ee8 n GLY 24 Ca -0.21 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.16 1.17 0.31 1.61 3.52 -1.26 -4.82 118.95 118.32 2ee8 s ARG 25 Ca 0.00 -0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 2ee8 s ARG 25 Cb 0.00 -1.17 -0.09 0.00 -1.56 0.00 0.00 34.95 32.13 2ee8 s ARG 25 CO 0.00 0.31 0.80 -1.01 -0.81 0.00 0.00 175.30 174.59 2ee8 s HIS 26 N -0.56 3.51 0.16 5.12 3.76 -1.26 -1.65 115.29 124.38 2ee8 s HIS 26 Ca 0.05 1.44 0.04 0.00 -0.15 0.00 0.00 55.06 56.44 2ee8 s HIS 26 Cb -0.07 -2.68 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 2ee8 s HIS 26 CO 0.00 0.16 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.92 2ee8 s PHE 27 N -1.80 1.31 -0.19 1.40 0.40 -1.23 -5.01 117.98 112.86 2ee8 s PHE 27 Ca 0.51 -0.82 -0.20 0.00 -0.60 0.00 0.00 56.93 55.82 2ee8 s PHE 27 Cb -0.14 -0.70 -0.17 0.00 0.51 0.00 0.00 43.02 42.53 2ee8 s PHE 27 CO 0.19 0.02 0.18 1.15 0.70 0.00 0.00 175.22 177.46 2ee8 h THR 28 N 2.71 0.80 -3.48 0.64 2.02 -1.96 -3.43 112.91 110.22 2ee8 h THR 28 Ca -0.37 -1.97 -0.67 0.00 0.77 0.00 0.00 66.41 64.17 2ee8 h THR 28 Cb 1.20 1.88 -0.20 0.00 -1.74 0.00 0.00 68.15 69.30 2ee8 h THR 28 CO 0.64 0.27 -0.68 -0.75 0.37 0.00 0.00 175.52 175.37 2ee8 s LYS 29 N -2.32 3.12 0.65 6.66 2.47 -1.26 -4.97 119.74 124.09 2ee8 s LYS 29 Ca -0.25 -0.52 0.21 0.00 -1.56 0.00 0.00 55.97 53.85 2ee8 s LYS 29 Cb 0.05 -2.73 1.13 0.00 -1.46 0.00 0.00 37.83 34.81 2ee8 s LYS 29 CO 0.52 0.51 1.63 0.66 0.16 0.00 0.00 175.35 178.83 2ee8 h SER 30 N 5.78 0.00 0.06 1.43 4.64 -1.97 0.27 113.55 123.77 2ee8 h SER 30 Ca -0.42 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 2ee8 h SER 30 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2ee8 h SER 30 CO 0.56 0.00 -0.54 0.22 -0.87 0.00 0.00 176.83 176.21 2ee8 h TYR 31 N 0.00 0.42 -0.41 4.77 5.03 -2.00 -3.25 116.97 121.52 2ee8 h TYR 31 Ca 0.05 -0.27 0.12 0.00 2.58 0.00 0.00 58.73 61.21 2ee8 h TYR 31 Cb 1.22 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 39.46 2ee8 h TYR 31 CO 0.00 1.16 0.46 -0.97 -1.32 0.00 0.00 178.16 177.49 2ee8 h ASN 32 N -0.44 0.00 -0.03 -2.11 -0.73 -0.86 -0.48 115.58 110.93 2ee8 h ASN 32 Ca -0.09 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 2ee8 h ASN 32 Cb 1.35 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.94 2ee8 h ASN 32 CO 0.10 0.00 -0.01 0.25 -0.37 0.00 0.00 177.43 177.40 2ee8 h LEU 33 N 0.00 0.06 -1.25 0.34 5.85 -1.56 -2.93 115.31 115.82 2ee8 h LEU 33 Ca 0.20 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2ee8 h LEU 33 Cb 1.12 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 2ee8 h LEU 33 CO -0.00 0.47 0.48 0.17 -0.34 0.00 0.00 178.44 179.22 2ee8 h LEU 34 N -0.34 0.86 -0.95 2.25 8.10 -1.20 -0.90 115.31 123.13 2ee8 h LEU 34 Ca 0.01 -0.03 0.03 0.00 0.11 0.00 0.00 57.88 58.00 2ee8 h LEU 34 Cb 0.45 -0.22 -0.05 0.00 -0.44 0.00 0.00 40.66 40.40 2ee8 h LEU 34 CO 0.00 0.63 0.62 0.40 -4.11 0.00 0.00 178.44 175.99 2ee8 h ILE 35 N 1.01 1.17 -0.06 0.15 2.04 -1.41 -2.69 117.51 117.72 2ee8 h ILE 35 Ca 0.27 -0.42 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 2ee8 h ILE 35 Cb -0.10 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 35.85 2ee8 h ILE 35 CO -0.06 0.22 -0.68 -0.74 0.00 0.00 0.00 178.15 176.90 2ee8 h HIS 36 N 1.21 0.80 -0.54 1.37 2.76 -1.21 -3.15 115.15 116.40 2ee8 h HIS 36 Ca 0.37 -0.39 0.16 0.00 -2.20 0.00 0.00 60.37 58.31 2ee8 h HIS 36 Cb -0.02 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2ee8 h HIS 36 CO -0.01 1.20 0.75 0.93 -1.30 0.00 0.00 177.93 179.50 2ee8 h GLU 37 N 0.17 0.00 -0.89 5.26 5.08 -0.85 0.33 114.58 123.69 2ee8 h GLU 37 Ca -0.07 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2ee8 h GLU 37 Cb 1.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 2ee8 h GLU 37 CO 0.14 0.00 0.58 0.00 -1.00 0.00 0.00 179.01 178.73 2ee8 h ARG 38 N 0.00 1.12 0.00 2.33 3.08 -1.48 0.72 114.38 120.14 2ee8 h ARG 38 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2ee8 h ARG 38 Cb 1.75 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2ee8 h ARG 38 CO -0.00 0.74 0.00 -2.37 -1.07 0.00 0.00 179.97 177.27 2ee8 n THR 39 N -4.50 0.88 -0.03 2.04 5.66 0.12 -3.62 114.28 114.83 2ee8 n THR 39 Ca 0.11 0.22 -0.03 0.00 -3.05 0.00 0.00 64.05 61.29 2ee8 n THR 39 Cb 0.06 -1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 67.80 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 -1.35 0.00 -3.97 1.09 8.25 0.06 -4.96 115.22 114.34 2ee8 n HIS 40 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 2ee8 n HIS 40 Cb 0.10 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 2ee8 n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ee8 n THR 41 N -3.36 -0.01 -1.26 1.59 -2.24 -0.12 -4.75 114.28 104.13 2ee8 n THR 41 Ca -0.05 -0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 2ee8 n THR 41 Cb 0.20 -0.41 0.16 0.00 -2.10 0.00 0.00 70.33 68.18 2ee8 n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ee8 n ASP 42 N -1.84 4.43 -4.14 3.42 -0.08 -1.26 -4.87 116.55 112.21 2ee8 n ASP 42 Ca 0.09 -3.65 -0.34 0.00 -1.51 0.00 0.00 54.79 49.38 2ee8 n ASP 42 Cb 0.37 -0.86 -0.14 0.00 2.34 0.00 0.00 41.12 42.83 2ee8 n ASP 42 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2ee8 s GLU 43 N -3.40 2.40 -0.47 -0.67 -1.05 -1.26 -5.06 118.70 109.18 2ee8 s GLU 43 Ca 0.58 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 2ee8 s GLU 43 Cb 0.48 -3.05 0.13 0.00 -0.44 0.00 0.00 34.13 31.25 2ee8 s GLU 43 CO 0.08 -0.58 0.24 1.03 0.95 0.00 0.00 175.26 176.98 2ee8 s ARG 44 N 1.20 2.01 0.25 -4.83 1.81 -1.26 -4.93 118.95 113.20 2ee8 s ARG 44 Ca -0.06 -2.21 0.23 0.00 -1.72 0.00 0.00 55.73 51.98 2ee8 s ARG 44 Cb -0.20 -3.47 0.97 0.00 -0.45 0.00 0.00 34.95 31.81 2ee8 s ARG 44 CO -0.03 -1.08 1.70 -0.35 -0.68 0.00 0.00 175.30 174.87 2ee8 n PRO 45 N 3.88 0.19 -0.71 3.54 -0.04 -1.26 -3.01 135.00 137.59 2ee8 n PRO 45 Ca 0.04 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2ee8 n PRO 45 Cb 0.38 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2ee8 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ee8 n TYR 46 N -2.22 1.43 -3.02 0.54 4.01 -1.26 -4.90 117.16 111.73 2ee8 n TYR 46 Ca 0.02 -1.49 -0.40 0.00 -0.16 0.00 0.00 57.90 55.86 2ee8 n TYR 46 Cb 0.22 -0.74 -0.05 0.00 -0.31 0.00 0.00 39.34 38.46 2ee8 n TYR 46 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ee8 s THR 47 N -1.82 4.97 1.03 -0.72 2.01 -1.16 -3.28 115.64 116.68 2ee8 s THR 47 Ca 0.27 1.40 -0.14 0.00 0.31 0.00 0.00 61.69 63.53 2ee8 s THR 47 Cb 0.22 -4.03 0.18 0.00 0.01 0.00 0.00 72.50 68.88 2ee8 s THR 47 CO 0.02 0.11 0.34 0.00 -0.69 0.00 0.00 174.62 174.40 2ee8 n ASP 49 N -1.47 1.24 -0.00 0.00 9.92 -1.26 -4.20 116.55 120.77 2ee8 n ASP 49 Ca 0.06 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2ee8 n ASP 49 Cb 0.37 1.59 -0.00 0.00 -0.64 0.00 0.00 41.12 42.44 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 -2.16 0.05 1.45 0.53 5.41 -1.26 -4.68 119.36 118.71 2ee8 n ILE 50 Ca -0.07 0.21 0.09 0.00 1.00 0.00 0.00 62.75 63.98 2ee8 n ILE 50 Cb 0.53 -1.23 0.54 0.00 -0.71 0.00 0.00 39.64 38.77 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 -0.89 -1.06 -3.36 0.00 8.25 -1.26 -4.88 115.22 112.02 2ee8 n HIS 52 Ca 0.14 0.53 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 2ee8 n HIS 52 Cb 0.06 -2.28 -0.05 0.00 1.12 0.00 0.00 29.99 28.84 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 -6.69 3.81 -0.17 -0.41 1.02 -1.26 -4.55 119.74 111.49 2ee8 s LYS 53 Ca 0.10 0.31 -0.06 0.00 0.02 0.00 0.00 55.97 56.34 2ee8 s LYS 53 Cb -0.06 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2ee8 s LYS 53 CO 0.86 0.28 0.03 0.00 -0.92 0.00 0.00 175.35 175.59 2ee8 s ALA 54 N -1.88 3.28 0.36 5.17 0.00 -1.26 -0.78 121.76 126.64 2ee8 s ALA 54 Ca 0.48 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.74 2ee8 s ALA 54 Cb -0.11 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 2ee8 s ALA 54 CO 0.22 0.22 -0.01 -0.06 0.00 0.00 0.00 175.76 176.13 2ee8 s PHE 55 N 0.27 2.28 0.00 0.00 0.40 -1.20 -5.05 117.98 114.68 2ee8 s PHE 55 Ca 0.01 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 2ee8 s PHE 55 Cb -0.13 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.92 2ee8 s PHE 55 CO 0.01 0.35 0.17 0.54 0.70 0.00 0.00 175.22 176.99 2ee8 n ARG 56 N -0.81 0.00 -2.83 0.44 3.00 -1.26 -4.80 116.66 110.40 2ee8 n ARG 56 Ca -0.04 0.42 -0.19 0.00 -0.01 0.00 0.00 57.85 58.02 2ee8 n ARG 56 Cb 0.66 -1.01 0.03 0.00 0.00 0.00 0.00 32.46 32.14 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 -1.18 2.56 -0.01 5.56 1.81 -1.26 -5.01 118.95 121.42 2ee8 s ARG 57 Ca 0.00 -1.10 -0.25 0.00 -1.72 0.00 0.00 55.73 52.67 2ee8 s ARG 57 Cb 0.00 -2.61 -0.18 0.00 -0.45 0.00 0.00 34.95 31.71 2ee8 s ARG 57 CO 0.00 -0.61 1.23 1.96 -0.68 0.00 0.00 175.30 177.20 2ee8 h GLN 58 N 0.27 -0.14 -0.95 3.54 7.50 -1.99 -3.10 115.11 120.24 2ee8 h GLN 58 Ca -0.39 0.01 0.29 0.00 0.50 0.00 0.00 58.65 59.06 2ee8 h GLN 58 Cb 1.29 0.03 -0.16 0.00 0.05 0.00 0.00 27.48 28.69 2ee8 h GLN 58 CO 0.47 0.26 0.32 0.38 -1.50 0.00 0.00 178.83 178.76 2ee8 h ASP 59 N -0.59 0.08 -0.60 1.46 3.04 -1.98 0.64 116.42 118.47 2ee8 h ASP 59 Ca -0.01 0.22 -0.02 0.00 -3.24 0.00 0.00 57.03 53.98 2ee8 h ASP 59 Cb 0.47 0.28 -0.03 0.00 -1.04 0.00 0.00 39.33 39.01 2ee8 h ASP 59 CO 0.02 -0.23 0.30 0.45 -2.04 0.00 0.00 179.24 177.74 2ee8 h HIS 60 N 0.16 0.84 -0.36 4.15 3.86 -1.96 0.19 115.15 122.03 2ee8 h HIS 60 Ca 0.65 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.71 2ee8 h HIS 60 Cb 1.44 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2ee8 h HIS 60 CO -0.21 0.63 -0.25 1.25 0.86 0.00 0.00 177.93 180.20 2ee8 h LEU 61 N 0.81 0.76 0.28 2.43 5.85 0.20 -2.48 115.31 123.15 2ee8 h LEU 61 Ca 0.21 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2ee8 h LEU 61 Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2ee8 h LEU 61 CO -0.03 0.98 -0.13 0.03 -0.34 0.00 0.00 178.44 178.95 2ee8 h ARG 62 N 0.64 -0.36 -1.10 1.25 3.08 -0.38 -2.13 114.38 115.38 2ee8 h ARG 62 Ca 0.08 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.50 2ee8 h ARG 62 Cb 0.76 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.76 2ee8 h ARG 62 CO 0.06 -0.24 0.67 -0.44 -1.07 0.00 0.00 179.97 178.95 2ee8 h ASP 63 N -0.73 0.42 -0.37 7.04 3.32 -0.74 0.62 116.42 125.98 2ee8 h ASP 63 Ca -0.04 0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 2ee8 h ASP 63 Cb 0.29 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2ee8 h ASP 63 CO 0.06 -0.11 -0.35 -0.74 -1.72 0.00 0.00 179.24 176.38 2ee8 h HIS 64 N 0.26 1.07 -0.11 4.55 -0.00 -1.49 -2.89 115.15 116.54 2ee8 h HIS 64 Ca 0.73 -0.32 0.03 0.00 -0.00 0.00 0.00 60.37 60.82 2ee8 h HIS 64 Cb 1.91 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 29.09 2ee8 h HIS 64 CO -0.01 1.13 0.65 -0.09 -0.00 0.00 0.00 177.93 179.61 2ee8 h ARG 65 N 0.71 0.00 -0.97 5.26 2.43 0.98 0.13 114.38 122.91 2ee8 h ARG 65 Ca 0.06 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2ee8 h ARG 65 Cb 0.94 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.41 2ee8 h ARG 65 CO 0.09 0.00 0.60 -0.92 -1.51 0.00 0.00 179.97 178.23 2ee8 h TYR 66 N 0.00 1.10 -0.52 2.20 3.20 -1.47 0.58 116.97 122.06 2ee8 h TYR 66 Ca 0.05 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.10 2ee8 h TYR 66 Cb 1.34 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2ee8 h TYR 66 CO 0.00 0.44 0.45 -0.84 -1.64 0.00 0.00 178.16 176.57 2ee8 h ILE 67 N 0.96 0.50 -2.04 1.81 3.07 -0.96 -3.22 117.51 117.64 2ee8 h ILE 67 Ca 0.48 0.00 -0.74 0.00 1.55 0.00 0.00 64.86 66.15 2ee8 h ILE 67 Cb 0.47 0.66 -0.17 0.00 -0.27 0.00 0.00 36.82 37.50 2ee8 h ILE 67 CO -0.26 0.00 1.47 1.41 -1.05 0.00 0.00 178.15 179.72 2ee8 n HIS 68 N -3.98 4.64 -0.41 0.16 8.25 0.19 -4.76 115.22 119.30 2ee8 n HIS 68 Ca 0.10 -3.27 -0.01 0.00 -0.26 0.00 0.00 57.72 54.28 2ee8 n HIS 68 Cb 0.66 -2.15 0.24 0.00 1.12 0.00 0.00 29.99 29.87 2ee8 n HIS 68 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ee8 n SER 69 N 5.34 4.15 -3.92 0.41 3.41 -1.22 -4.89 113.62 116.90 2ee8 n SER 69 Ca 0.37 -2.80 -0.31 0.00 -0.26 0.00 0.00 58.87 55.88 2ee8 n SER 69 Cb 0.42 -0.66 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2ee8 n SER 69 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2ee8 n LYS 70 N 0.13 -5.44 -4.55 4.33 4.81 -1.26 -4.97 118.16 111.21 2ee8 n LYS 70 Ca 0.26 0.59 -0.26 0.00 -0.87 0.00 0.00 58.31 58.03 2ee8 n LYS 70 Cb 1.04 -5.48 -0.11 0.00 0.02 0.00 0.00 35.03 30.51 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ee8 s GLU 71 N -6.64 1.83 -0.23 1.64 2.02 -1.26 -5.12 118.70 110.95 2ee8 s GLU 71 Ca 0.67 -1.99 -0.22 0.00 0.02 0.00 0.00 54.97 53.45 2ee8 s GLU 71 Cb -0.34 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.38 2ee8 s GLU 71 CO 0.83 -0.00 0.71 0.15 0.02 0.00 0.00 175.26 176.97 2ee8 s LYS 72 N -3.71 4.18 0.10 1.61 -0.14 -1.26 -4.93 119.74 115.59 2ee8 s LYS 72 Ca 0.34 0.74 0.18 0.00 -1.36 0.00 0.00 55.97 55.86 2ee8 s LYS 72 Cb 0.07 -3.62 0.74 0.00 -1.68 0.00 0.00 37.83 33.34 2ee8 s LYS 72 CO 0.16 -0.40 1.55 -0.35 -0.76 0.00 0.00 175.35 175.55 2ee8 n PRO 73 N 5.61 0.07 0.13 -1.68 -0.04 -1.26 -2.72 135.00 135.10 2ee8 n PRO 73 Ca 0.02 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 2ee8 n PRO 73 Cb 0.49 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 2ee8 n PRO 73 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2ee8 h PHE 74 N 0.00 0.84 -3.18 0.54 -1.00 -2.00 -3.45 116.94 108.69 2ee8 h PHE 74 Ca 0.00 -0.61 -0.60 0.00 2.81 0.00 0.00 57.97 59.56 2ee8 h PHE 74 Cb 0.28 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.71 2ee8 h PHE 74 CO 0.00 1.52 -0.40 0.21 -1.61 0.00 0.00 178.31 178.03 2ee8 s LYS 75 N -2.61 4.11 -1.31 1.51 2.20 -1.10 -4.75 119.74 117.78 2ee8 s LYS 75 Ca -0.09 -0.03 -0.13 0.00 -0.36 0.00 0.00 55.97 55.35 2ee8 s LYS 75 Cb 0.05 -3.38 0.12 0.00 -1.51 0.00 0.00 37.83 33.10 2ee8 s LYS 75 CO 0.92 0.36 1.83 0.00 -0.36 0.00 0.00 175.35 178.10 2ee8 h GLN 77 N 6.52 0.00 0.00 0.00 5.75 -1.89 0.67 115.11 126.16 2ee8 h GLN 77 Ca 0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.93 2ee8 h GLN 77 Cb 0.74 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.29 2ee8 h GLN 77 CO 1.56 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 178.13 2ee8 n GLU 78 N -3.80 0.00 0.06 1.69 1.02 -1.26 -4.06 120.64 114.28 2ee8 n GLU 78 Ca 0.34 0.53 -0.23 0.00 -0.02 0.00 0.00 57.16 57.78 2ee8 n GLU 78 Cb 1.68 -1.37 -0.15 0.00 -0.02 0.00 0.00 31.44 31.59 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ee8 n GLY 80 N 1.88 0.64 3.59 0.00 0.00 0.23 -5.09 105.19 106.43 2ee8 n GLY 80 Ca -0.26 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 1.97 -0.43 1.61 -0.14 -1.25 -4.97 119.74 116.52 2ee8 s LYS 81 Ca 0.00 -1.80 0.09 0.00 -1.36 0.00 0.00 55.97 52.90 2ee8 s LYS 81 Cb 0.00 -1.85 0.31 0.00 -1.68 0.00 0.00 37.83 34.61 2ee8 s LYS 81 CO 0.00 0.16 0.70 0.41 -0.76 0.00 0.00 175.35 175.86 2ee8 n GLY 82 N -0.87 3.76 3.11 -3.33 0.00 -1.26 -3.26 105.19 103.34 2ee8 n GLY 82 Ca -0.05 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 0.61 -2.23 -0.07 1.61 3.01 -1.26 -4.94 117.46 114.18 2ee8 n PHE 83 Ca 0.25 0.34 -0.19 0.00 1.01 0.00 0.00 57.45 58.86 2ee8 n PHE 83 Cb 0.56 -1.48 -0.13 0.00 -0.01 0.00 0.00 39.48 38.42 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ee8 s GLN 85 N -2.54 2.44 -0.24 0.00 -1.52 -1.26 -5.05 119.66 111.49 2ee8 s GLN 85 Ca -0.29 -0.52 -0.16 0.00 -1.95 0.00 0.00 55.36 52.44 2ee8 s GLN 85 Cb 0.08 -2.35 -0.13 0.00 -0.22 0.00 0.00 33.01 30.39 2ee8 s GLN 85 CO 0.68 -0.91 -0.20 0.45 -0.25 0.00 0.00 175.29 175.06 2ee8 n SER 86 N -2.58 1.92 -0.15 5.90 2.88 -1.26 -4.13 113.62 116.21 2ee8 n SER 86 Ca 0.08 0.38 0.08 0.00 -1.33 0.00 0.00 58.87 58.07 2ee8 n SER 86 Cb 0.60 -0.85 0.40 0.00 -0.75 0.00 0.00 64.21 63.61 2ee8 n SER 86 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2ee8 h ARG 87 N -1.00 0.62 -0.61 -1.46 -0.00 -2.00 -1.71 114.38 108.22 2ee8 h ARG 87 Ca -0.50 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 59.44 2ee8 h ARG 87 Cb 1.41 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.97 31.21 2ee8 h ARG 87 CO -0.30 0.41 0.37 1.15 -0.00 0.00 0.00 179.97 181.59 2ee8 h THR 88 N 0.64 1.18 -0.72 0.08 2.02 -2.00 -2.62 112.91 111.48 2ee8 h THR 88 Ca 0.30 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2ee8 h THR 88 Cb 0.35 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2ee8 h THR 88 CO -0.10 0.18 0.23 0.25 0.37 0.00 0.00 175.52 176.46 2ee8 h LEU 89 N 0.83 1.04 -1.45 2.58 5.85 -1.48 -2.47 115.31 120.20 2ee8 h LEU 89 Ca 0.22 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 58.88 2ee8 h LEU 89 Cb -0.02 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 2ee8 h LEU 89 CO -0.04 0.97 0.54 0.00 -0.34 0.00 0.00 178.44 179.56 2ee8 h ALA 90 N 1.11 1.99 -0.04 1.25 0.00 -1.09 -1.30 119.26 121.19 2ee8 h ALA 90 Ca 0.23 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2ee8 h ALA 90 Cb 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2ee8 h ALA 90 CO -0.01 -0.21 -0.89 0.28 0.00 0.00 0.00 179.25 178.42 2ee8 h VAL 91 N 0.54 1.30 -0.91 0.00 2.07 -1.28 -3.27 116.25 114.70 2ee8 h VAL 91 Ca 0.40 -2.13 0.26 0.00 0.82 0.00 0.00 66.70 66.05 2ee8 h VAL 91 Cb 0.79 2.31 -0.15 0.00 -1.52 0.00 0.00 31.29 32.72 2ee8 h VAL 91 CO -0.16 0.66 0.24 -0.74 0.02 0.00 0.00 177.57 177.60 2ee8 h HIS 92 N 0.34 0.36 -0.97 1.57 6.17 -0.84 0.17 115.15 121.96 2ee8 h HIS 92 Ca -0.10 0.05 0.32 0.00 0.71 0.00 0.00 60.37 61.35 2ee8 h HIS 92 Cb 1.55 -0.01 -0.18 0.00 2.52 0.00 0.00 27.41 31.29 2ee8 h HIS 92 CO 0.11 -0.26 0.21 1.63 0.71 0.00 0.00 177.93 180.33 2ee8 n LYS 93 N -5.26 -0.07 -0.35 5.26 4.01 -1.17 -0.13 118.16 120.45 2ee8 n LYS 93 Ca 0.23 1.41 -0.01 0.00 -0.51 0.00 0.00 58.31 59.44 2ee8 n LYS 93 Cb 0.75 -2.34 0.05 0.00 -0.51 0.00 0.00 35.03 32.98 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2ee8 h THR 94 N 0.00 0.03 -0.99 -0.18 1.35 -0.87 0.82 112.91 113.07 2ee8 h THR 94 Ca 0.68 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.71 2ee8 h THR 94 Cb 1.57 0.03 -0.10 0.00 -1.73 0.00 0.00 68.15 67.93 2ee8 h THR 94 CO -0.85 0.00 0.62 -0.07 -0.25 0.00 0.00 175.52 174.97 2ee8 h LEU 95 N -0.02 0.77 -4.27 3.87 3.38 -0.70 -1.71 115.31 116.63 2ee8 h LEU 95 Ca 0.35 0.08 -0.35 0.00 0.09 0.00 0.00 57.88 58.05 2ee8 h LEU 95 Cb 0.61 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 2ee8 h LEU 95 CO -0.94 0.31 0.02 1.41 0.09 0.00 0.00 178.44 179.32 2ee8 n HIS 96 N -4.70 0.81 -0.20 1.13 8.25 0.28 -4.60 115.22 116.20 2ee8 n HIS 96 Ca 0.22 -1.73 -0.03 0.00 -0.26 0.00 0.00 57.72 55.93 2ee8 n HIS 96 Cb 0.54 -1.49 0.08 0.00 1.12 0.00 0.00 29.99 30.24 2ee8 n HIS 96 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2ee8 h MET 97 N 3.01 0.55 -3.56 -0.41 4.05 -1.34 -3.33 114.93 113.89 2ee8 h MET 97 Ca 0.29 -0.03 -0.65 0.00 -0.28 0.00 0.00 59.70 59.03 2ee8 h MET 97 Cb 1.11 -0.12 -0.40 0.00 -0.80 0.00 0.00 31.60 31.38 2ee8 h MET 97 CO 0.56 0.36 -0.62 1.14 0.23 0.00 0.00 176.91 178.59 2ee8 s GLN 98 N -6.11 1.97 0.17 0.39 -2.07 -1.26 -4.96 119.66 107.79 2ee8 s GLN 98 Ca -0.13 -2.53 -0.14 0.00 -1.82 0.00 0.00 55.36 50.74 2ee8 s GLN 98 Cb 0.15 -3.34 0.14 0.00 -1.09 0.00 0.00 33.01 28.86 2ee8 s GLN 98 CO 0.75 -1.10 1.73 1.15 -1.32 0.00 0.00 175.29 176.50 2ee8 h THR 99 N 5.61 0.80 -1.97 3.63 2.02 -1.96 -3.47 112.91 117.57 2ee8 h THR 99 Ca -0.07 -0.09 0.29 0.00 0.77 0.00 0.00 66.41 67.31 2ee8 h THR 99 Cb 0.91 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 2ee8 h THR 99 CO 0.67 0.05 0.79 -0.94 0.37 0.00 0.00 175.52 176.46 2ee8 s SER 100 N -5.34 -0.03 -0.53 4.18 1.04 -1.26 -5.10 113.70 106.65 2ee8 s SER 100 Ca -0.13 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.07 2ee8 s SER 100 Cb 0.14 0.24 0.18 0.00 0.10 0.00 0.00 66.02 66.69 2ee8 s SER 100 CO 0.72 -0.47 0.45 -0.24 0.98 0.00 0.00 173.24 174.68 2ee8 n SER 101 N -0.84 1.17 -4.77 7.02 2.88 -1.26 -5.12 113.62 112.70 2ee8 n SER 101 Ca -0.03 -2.79 -0.32 0.00 -1.33 0.00 0.00 58.87 54.40 2ee8 n SER 101 Cb 0.60 -0.64 0.07 0.00 -0.75 0.00 0.00 64.21 63.49 2ee8 n SER 101 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ee8 s PRO 102 N -0.82 2.52 0.69 -1.46 0.04 -1.26 -5.05 135.00 129.66 2ee8 s PRO 102 Ca 0.31 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 2ee8 s PRO 102 Cb 0.03 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.70 2ee8 s PRO 102 CO -0.17 -1.45 1.00 0.95 0.04 0.00 0.00 177.00 177.37 2ee8 s THR 103 N -2.63 2.59 -0.25 1.26 -4.23 -1.26 -4.99 115.64 106.13 2ee8 s THR 103 Ca 0.64 -0.17 -0.29 0.00 -1.18 0.00 0.00 61.69 60.69 2ee8 s THR 103 Cb -0.19 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2ee8 s THR 103 CO 0.49 -0.12 1.76 0.00 -0.54 0.00 0.00 174.62 176.20 2ee8 s ALA 104 N -3.21 3.07 0.30 3.99 0.00 -1.26 -4.94 121.76 119.71 2ee8 s ALA 104 Ca 0.59 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2ee8 s ALA 104 Cb -0.11 -3.94 -0.12 0.00 0.00 0.00 0.00 23.12 18.95 2ee8 s ALA 104 CO 0.45 -2.29 1.43 0.00 0.00 0.00 0.00 175.76 175.35 2ee8 n ALA 105 N 9.43 1.68 0.50 0.00 0.00 -1.26 -5.36 120.51 125.50 2ee8 n ALA 105 Ca 0.21 0.38 0.04 0.00 0.00 0.00 0.00 53.44 54.07 2ee8 n ALA 105 Cb 0.46 -2.33 0.24 0.00 0.00 0.00 0.00 19.45 17.81 2ee8 n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37