#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka9 s GLU 2 N 0.00 3.13 -0.29 0.03 -6.30 0.21 -4.91 118.70 110.58 2ka9 s GLU 2 Ca 0.00 -0.80 -0.15 0.00 -2.50 0.00 0.00 54.97 51.51 2ka9 s GLU 2 Cb 0.00 -2.76 0.11 0.00 0.00 0.00 0.00 34.13 31.48 2ka9 s GLU 2 CO 0.00 0.48 0.78 1.52 0.02 0.00 0.00 175.26 178.05 2ka9 s TYR 3 N -1.84 -0.95 -0.06 5.30 -0.85 -1.26 -1.89 117.35 115.80 2ka9 s TYR 3 Ca 0.33 1.84 -0.31 0.00 -0.52 0.00 0.00 57.07 58.41 2ka9 s TYR 3 Cb -0.10 0.57 0.12 0.00 0.38 0.00 0.00 41.96 42.93 2ka9 s TYR 3 CO 0.26 -0.47 1.35 -1.21 -1.52 0.00 0.00 175.55 173.96 2ka9 s GLU 4 N 1.76 0.20 0.17 -3.49 2.02 -0.96 -5.04 118.70 113.37 2ka9 s GLU 4 Ca -0.09 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.71 2ka9 s GLU 4 Cb -0.06 0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.17 2ka9 s GLU 4 CO -0.18 -0.09 0.45 -1.83 0.02 0.00 0.00 175.26 173.62 2ka9 s GLU 5 N -2.11 3.70 -0.01 1.61 1.03 -1.26 -1.40 118.70 120.27 2ka9 s GLU 5 Ca 0.22 0.07 -0.12 0.00 0.03 0.00 0.00 54.97 55.17 2ka9 s GLU 5 Cb 0.03 -2.78 0.02 0.00 -0.80 0.00 0.00 34.13 30.60 2ka9 s GLU 5 CO -0.04 0.41 0.26 0.42 -1.33 0.00 0.00 175.26 174.98 2ka9 s ILE 6 N -1.70 0.07 -0.20 1.83 1.01 0.52 -4.95 121.20 117.77 2ka9 s ILE 6 Ca 0.43 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2ka9 s ILE 6 Cb -0.12 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2ka9 s ILE 6 CO 0.23 -0.30 -0.11 0.42 0.00 0.00 0.00 174.94 175.18 2ka9 s THR 7 N -1.35 2.83 -0.44 2.92 -4.23 -1.25 -1.10 115.64 113.02 2ka9 s THR 7 Ca -0.14 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2ka9 s THR 7 Cb -0.06 -2.26 0.12 0.00 1.34 0.00 0.00 72.50 71.64 2ka9 s THR 7 CO 0.03 0.46 0.18 -0.22 -0.54 0.00 0.00 174.62 174.54 2ka9 s LEU 8 N 1.40 4.13 0.51 4.79 2.96 -0.17 -4.90 118.68 127.39 2ka9 s LEU 8 Ca 0.05 -2.63 -0.19 0.00 -0.22 0.00 0.00 54.13 51.15 2ka9 s LEU 8 Cb -0.14 -1.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 2ka9 s LEU 8 CO -0.07 -0.29 1.04 -1.83 -1.32 0.00 0.00 176.35 173.87 2ka9 s GLU 9 N 0.26 3.71 -0.54 1.98 -1.05 -1.26 -2.46 118.70 119.34 2ka9 s GLU 9 Ca 0.15 1.29 -0.27 0.00 -0.15 0.00 0.00 54.97 55.98 2ka9 s GLU 9 Cb -0.23 -2.08 -0.01 0.00 -0.44 0.00 0.00 34.13 31.37 2ka9 s GLU 9 CO -0.04 -0.50 1.67 1.03 0.95 0.00 0.00 175.26 178.38 2ka9 s ARG 10 N -3.48 3.03 0.58 -4.83 0.52 0.18 -4.61 118.95 110.34 2ka9 s ARG 10 Ca 0.66 0.70 0.31 0.00 -0.52 0.00 0.00 55.73 56.88 2ka9 s ARG 10 Cb -0.16 -4.25 1.40 0.00 0.52 0.00 0.00 34.95 32.46 2ka9 s ARG 10 CO 0.24 -2.25 1.76 0.78 0.02 0.00 0.00 175.30 175.85 2ka9 h GLY 11 N 14.58 0.00 0.00 -3.53 0.00 -1.85 -3.43 103.07 108.83 2ka9 h GLY 11 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ka9 h GLY 11 CO 1.17 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.70 2ka9 n ASN 12 N -3.75 0.00 -1.53 0.19 5.15 -1.26 -4.98 115.26 109.08 2ka9 n ASN 12 Ca 0.16 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.02 2ka9 n ASN 12 Cb 0.99 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 40.42 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2ka9 n SER 13 N -0.53 3.07 0.00 1.20 3.41 -1.26 -5.04 113.62 114.47 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ka9 n GLY 14 N -1.11 1.93 0.09 5.00 0.00 -1.26 -4.99 105.19 104.84 2ka9 n GLY 14 Ca 0.42 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2ka9 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 15 N 0.00 0.00 0.00 0.99 4.07 -1.92 -3.05 115.31 115.40 2ka9 h LEU 15 Ca 0.00 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.18 2ka9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 15 CO 0.00 1.22 0.00 0.61 -1.08 0.00 0.00 178.44 179.19 2ka9 n GLY 16 N 1.53 0.73 3.48 0.83 0.00 -1.26 0.12 105.19 110.62 2ka9 n GLY 16 Ca -0.20 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -0.16 -0.42 -0.16 1.61 -0.12 -1.26 -3.17 117.98 114.29 2ka9 s PHE 17 Ca 0.00 0.30 -0.02 0.00 -0.05 0.00 0.00 56.93 57.16 2ka9 s PHE 17 Cb 0.00 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 2ka9 s PHE 17 CO 0.00 -0.64 -0.09 0.45 -0.05 0.00 0.00 175.22 174.89 2ka9 s SER 18 N -2.46 4.21 0.43 1.98 0.15 0.12 -4.95 113.70 113.19 2ka9 s SER 18 Ca 0.03 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.42 2ka9 s SER 18 Cb -0.01 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.57 2ka9 s SER 18 CO -0.09 0.11 0.06 0.27 1.20 0.00 0.00 173.24 174.79 2ka9 s ILE 19 N 0.70 1.92 -0.22 6.45 -4.36 -1.26 0.97 121.20 125.40 2ka9 s ILE 19 Ca -0.05 -1.91 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 2ka9 s ILE 19 Cb -0.15 -2.83 0.15 0.00 1.25 0.00 0.00 42.46 40.88 2ka9 s ILE 19 CO 0.02 0.00 1.14 0.00 0.24 0.00 0.00 174.94 176.34 2ka9 s ALA 20 N -2.71 -2.01 0.00 2.27 0.00 -1.18 -4.85 121.76 113.28 2ka9 s ALA 20 Ca 0.31 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2ka9 s ALA 20 Cb 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2ka9 s ALA 20 CO 0.17 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2ka9 n GLY 21 N 0.78 0.28 0.00 0.00 0.00 -1.25 -3.95 105.19 101.05 2ka9 n GLY 21 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 2.50 0.40 -0.02 0.00 -1.20 -3.96 105.19 102.91 2ka9 n GLY 22 Ca 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 46.02 44.56 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.00 0.26 0.03 2.61 1.03 -1.23 -1.07 112.91 114.54 2ka9 h THR 23 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.21 2ka9 h THR 23 Cb 0.00 0.53 -0.02 0.00 -1.07 0.00 0.00 68.15 67.60 2ka9 h THR 23 CO 0.00 0.00 -1.03 -0.78 -0.01 0.00 0.00 175.52 173.70 2ka9 h ASP 24 N 0.00 0.10 -2.98 0.00 1.82 -1.85 -3.43 116.42 110.09 2ka9 h ASP 24 Ca 0.22 -0.72 -0.61 0.00 -0.39 0.00 0.00 57.03 55.53 2ka9 h ASP 24 Cb 1.35 -0.03 -0.41 0.00 0.68 0.00 0.00 39.33 40.92 2ka9 h ASP 24 CO -0.00 1.42 -0.65 0.20 -1.61 0.00 0.00 179.24 178.60 2ka9 s ASN 25 N -6.76 4.17 0.01 2.28 -0.87 -0.48 -5.09 114.94 108.20 2ka9 s ASN 25 Ca -0.24 -3.69 -0.36 0.00 -1.57 0.00 0.00 52.86 46.99 2ka9 s ASN 25 Cb 0.03 -1.40 -0.15 0.00 -0.02 0.00 0.00 41.25 39.71 2ka9 s ASN 25 CO 0.66 -0.10 1.56 -2.65 -2.57 0.00 0.00 177.10 173.99 2ka9 n PRO 26 N 2.16 1.54 0.28 -0.60 -0.02 -0.76 -3.23 135.00 134.37 2ka9 n PRO 26 Ca 0.21 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.44 2ka9 n PRO 26 Cb 0.37 -2.27 0.81 0.00 -0.02 0.00 0.00 33.50 32.39 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ka9 h HIS 27 N 6.08 0.00 0.00 6.00 2.76 -1.80 -3.12 115.15 125.07 2ka9 h HIS 27 Ca -0.47 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 57.63 2ka9 h HIS 27 Cb 1.30 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 2ka9 h HIS 27 CO 0.68 0.00 -1.38 0.44 -1.30 0.00 0.00 177.93 176.36 2ka9 n ILE 28 N -2.99 0.28 -1.35 6.26 -5.35 -1.26 -4.94 119.36 110.00 2ka9 n ILE 28 Ca -0.00 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2ka9 n ILE 28 Cb 0.23 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 2ka9 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ka9 n GLY 29 N 2.44 0.89 1.24 3.28 0.00 -1.18 -4.92 105.19 106.94 2ka9 n GLY 29 Ca -0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka9 n ASP 30 N 1.36 -0.42 -3.20 1.61 8.00 -1.26 -5.08 116.55 117.57 2ka9 n ASP 30 Ca 0.00 -1.03 0.04 0.00 0.71 0.00 0.00 54.79 54.52 2ka9 n ASP 30 Cb 0.34 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ka9 s ASP 31 N -0.36 -0.79 0.45 -2.24 -1.08 -1.26 -5.03 116.67 106.35 2ka9 s ASP 31 Ca 0.01 0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.79 2ka9 s ASP 31 Cb 0.07 1.70 1.04 0.00 -1.46 0.00 0.00 42.92 44.27 2ka9 s ASP 31 CO -0.02 -0.15 1.97 -0.65 0.52 0.00 0.00 175.17 176.84 2ka9 h PRO 32 N 7.94 0.00 -6.93 4.34 0.11 -1.90 -3.44 132.00 132.12 2ka9 h PRO 32 Ca -0.17 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.44 2ka9 h PRO 32 Cb 1.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.30 2ka9 h PRO 32 CO 0.05 0.21 0.46 -1.12 -0.21 0.00 0.00 178.00 177.39 2ka9 s SER 33 N -6.78 6.72 0.31 -2.05 0.01 -1.23 -2.88 113.70 107.80 2ka9 s SER 33 Ca -0.03 2.22 -0.02 0.00 1.31 0.00 0.00 55.95 59.42 2ka9 s SER 33 Cb 0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2ka9 s SER 33 CO 0.68 -0.53 0.54 -0.63 0.41 0.00 0.00 173.24 173.71 2ka9 s ILE 34 N -1.47 5.08 0.03 1.44 1.01 -1.26 -4.72 121.20 121.31 2ka9 s ILE 34 Ca 0.55 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 2ka9 s ILE 34 Cb -0.28 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2ka9 s ILE 34 CO 0.35 -0.44 0.05 0.72 0.00 0.00 0.00 174.94 175.62 2ka9 s PHE 35 N -2.20 0.24 0.36 3.97 -0.71 -1.25 -3.54 117.98 114.84 2ka9 s PHE 35 Ca 0.42 -0.53 -0.15 0.00 -1.04 0.00 0.00 56.93 55.62 2ka9 s PHE 35 Cb -0.10 -0.17 -0.09 0.00 -1.21 0.00 0.00 43.02 41.45 2ka9 s PHE 35 CO 0.33 -0.31 0.78 0.42 -1.34 0.00 0.00 175.22 175.11 2ka9 s ILE 36 N -2.29 4.65 -0.27 -4.49 1.01 0.34 -3.09 121.20 117.06 2ka9 s ILE 36 Ca -0.08 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 2ka9 s ILE 36 Cb -0.03 -3.63 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 2ka9 s ILE 36 CO -0.03 -0.26 -0.32 0.35 0.00 0.00 0.00 174.94 174.68 2ka9 n THR 37 N -0.57 1.51 -3.55 2.92 -2.24 0.27 -2.18 114.28 110.46 2ka9 n THR 37 Ca 0.04 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2ka9 n THR 37 Cb 0.53 -1.72 -0.05 0.00 -2.10 0.00 0.00 70.33 66.99 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ka9 s LYS 38 N -2.51 1.09 -0.03 -0.78 0.00 -1.23 -4.73 119.74 111.55 2ka9 s LYS 38 Ca -0.38 -0.29 0.04 0.00 0.00 0.00 0.00 55.97 55.34 2ka9 s LYS 38 Cb 0.13 0.50 -0.03 0.00 0.00 0.00 0.00 37.83 38.43 2ka9 s LYS 38 CO 0.53 -0.41 -0.14 0.42 0.00 0.00 0.00 175.35 175.75 2ka9 s ILE 39 N -2.74 3.13 0.05 3.79 1.01 -1.26 0.15 121.20 125.32 2ka9 s ILE 39 Ca -0.04 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2ka9 s ILE 39 Cb -0.00 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2ka9 s ILE 39 CO -0.04 0.52 0.79 -0.63 0.00 0.00 0.00 174.94 175.58 2ka9 s ILE 40 N -0.80 4.72 -1.18 2.92 1.01 -1.19 -4.95 121.20 121.72 2ka9 s ILE 40 Ca 0.13 1.67 -0.08 0.00 0.00 0.00 0.00 60.65 62.38 2ka9 s ILE 40 Cb -0.11 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2ka9 s ILE 40 CO 0.02 0.36 2.42 -0.81 0.00 0.00 0.00 174.94 176.93 2ka9 n PRO 41 N 2.83 2.68 0.00 2.79 -0.04 -1.26 -3.40 135.00 138.60 2ka9 n PRO 41 Ca -0.02 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 2ka9 n PRO 41 Cb 0.50 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 42 N 3.72 -0.40 3.57 0.55 0.00 -1.26 -5.07 105.19 106.31 2ka9 n GLY 42 Ca 0.57 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 2ka9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 43 N -1.73 1.56 0.55 -0.02 0.00 -1.22 -4.82 107.32 101.65 2ka9 s GLY 43 Ca 0.00 -0.18 0.27 0.00 0.00 0.00 0.00 44.72 44.81 2ka9 s GLY 43 CO 0.00 0.48 2.17 0.00 0.00 0.00 0.00 173.10 175.75 2ka9 h ALA 44 N -2.29 1.50 0.72 3.20 0.00 0.86 -2.72 119.26 120.52 2ka9 h ALA 44 Ca -0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2ka9 h ALA 44 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ka9 h ALA 44 CO 0.53 0.06 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 2ka9 h ALA 45 N 1.95 -1.01 0.00 0.00 0.00 0.24 0.50 119.26 120.94 2ka9 h ALA 45 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2ka9 h ALA 45 Cb 0.13 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ka9 h ALA 45 CO 0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 179.25 178.05 2ka9 h ALA 46 N -0.74 1.61 -0.19 0.00 0.00 -1.68 0.48 119.26 118.74 2ka9 h ALA 46 Ca -0.10 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2ka9 h ALA 46 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ka9 h ALA 46 CO 0.14 0.17 -0.51 1.96 0.00 0.00 0.00 179.25 181.00 2ka9 h GLN 47 N 0.00 0.69 -0.07 0.00 1.08 -1.15 -3.04 115.11 112.63 2ka9 h GLN 47 Ca -0.00 -0.48 -0.16 0.00 -1.45 0.00 0.00 58.65 56.56 2ka9 h GLN 47 Cb 0.26 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2ka9 h GLN 47 CO 0.02 1.10 -0.65 -0.44 -0.95 0.00 0.00 178.83 177.91 2ka9 h ASP 48 N 0.39 0.32 -4.76 1.46 5.19 0.71 -3.46 116.42 116.26 2ka9 h ASP 48 Ca -0.01 -0.19 -0.27 0.00 -0.62 0.00 0.00 57.03 55.94 2ka9 h ASP 48 Cb 1.13 -0.09 -0.16 0.00 0.18 0.00 0.00 39.33 40.38 2ka9 h ASP 48 CO 0.11 0.88 -0.38 0.61 -3.12 0.00 0.00 179.24 177.34 2ka9 n GLY 49 N 0.38 -0.19 2.10 2.75 0.00 0.16 -4.71 105.19 105.67 2ka9 n GLY 49 Ca -0.03 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2ka9 n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ka9 n ARG 50 N -2.06 2.56 -3.61 1.61 1.85 -1.26 -4.94 116.66 110.80 2ka9 n ARG 50 Ca 0.05 -2.84 -0.01 0.00 -1.00 0.00 0.00 57.85 54.05 2ka9 n ARG 50 Cb 0.21 -2.12 -0.01 0.00 -1.05 0.00 0.00 32.46 29.49 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2ka9 s LEU 51 N -3.01 -0.07 0.32 2.89 2.34 -1.26 -5.07 118.68 114.81 2ka9 s LEU 51 Ca 0.53 -0.05 0.06 0.00 0.06 0.00 0.00 54.13 54.73 2ka9 s LEU 51 Cb 0.44 1.30 -0.01 0.00 -0.56 0.00 0.00 46.19 47.35 2ka9 s LEU 51 CO 0.11 -0.21 0.45 -0.13 -1.06 0.00 0.00 176.35 175.51 2ka9 s ARG 52 N -2.33 3.19 0.01 1.48 1.81 -1.26 -5.04 118.95 116.81 2ka9 s ARG 52 Ca 0.12 -0.95 -0.22 0.00 -1.72 0.00 0.00 55.73 52.96 2ka9 s ARG 52 Cb 0.02 -2.83 -0.17 0.00 -0.45 0.00 0.00 34.95 31.52 2ka9 s ARG 52 CO -0.04 0.14 1.27 -0.39 -0.68 0.00 0.00 175.30 175.59 2ka9 h VAL 53 N 0.94 1.39 0.00 3.52 -1.51 -1.87 -3.09 116.25 115.64 2ka9 h VAL 53 Ca -0.47 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.60 2ka9 h VAL 53 Cb 1.25 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 2ka9 h VAL 53 CO 0.55 0.39 0.01 0.59 -1.23 0.00 0.00 177.57 177.88 2ka9 n ASN 54 N -4.61 0.00 -3.87 4.19 3.02 -0.93 0.13 115.26 113.20 2ka9 n ASN 54 Ca -0.07 0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 54.41 2ka9 n ASN 54 Cb 0.37 -0.23 0.27 0.00 -0.61 0.00 0.00 39.78 39.58 2ka9 n ASN 54 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2ka9 s ASP 55 N -2.43 -0.15 -0.22 6.41 -4.77 -1.17 -4.69 116.67 109.64 2ka9 s ASP 55 Ca 0.00 1.06 -0.04 0.00 -3.30 0.00 0.00 52.55 50.27 2ka9 s ASP 55 Cb 0.00 -1.57 0.08 0.00 -1.09 0.00 0.00 42.92 40.34 2ka9 s ASP 55 CO 0.00 -4.83 0.14 -0.94 0.70 0.00 0.00 175.17 170.24 2ka9 s SER 56 N -3.00 2.49 -0.66 2.11 1.04 -0.84 -3.41 113.70 111.43 2ka9 s SER 56 Ca 0.69 -0.77 -0.27 0.00 0.48 0.00 0.00 55.95 56.08 2ka9 s SER 56 Cb -0.17 -0.10 -0.12 0.00 0.10 0.00 0.00 66.02 65.73 2ka9 s SER 56 CO 0.60 -0.38 2.48 2.30 0.98 0.00 0.00 173.24 179.22 2ka9 n ILE 57 N 5.28 -0.06 0.21 -1.02 -0.00 -1.23 -2.20 119.36 120.34 2ka9 n ILE 57 Ca -0.06 -0.58 0.08 0.00 -0.00 0.00 0.00 62.75 62.19 2ka9 n ILE 57 Cb 0.47 -2.09 0.44 0.00 -0.00 0.00 0.00 39.64 38.45 2ka9 n ILE 57 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2ka9 h LEU 58 N 17.85 0.00 -7.00 7.28 3.38 -1.09 -3.33 115.31 132.40 2ka9 h LEU 58 Ca -0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2ka9 h LEU 58 Cb 1.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.78 2ka9 h LEU 58 CO 1.22 0.29 0.31 0.12 0.09 0.00 0.00 178.44 180.47 2ka9 s PHE 59 N -3.77 -0.60 0.40 1.13 5.36 0.30 -3.31 117.98 117.49 2ka9 s PHE 59 Ca -0.01 1.30 0.05 0.00 -0.96 0.00 0.00 56.93 57.32 2ka9 s PHE 59 Cb 0.11 0.36 0.05 0.00 -0.34 0.00 0.00 43.02 43.21 2ka9 s PHE 59 CO 0.66 -0.38 0.45 1.55 -1.46 0.00 0.00 175.22 176.04 2ka9 n VAL 60 N 1.80 0.00 -0.03 3.12 3.14 -0.12 0.16 118.33 126.41 2ka9 n VAL 60 Ca -0.14 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 59.82 2ka9 n VAL 60 Cb 0.56 -0.47 0.01 0.00 -1.06 0.00 0.00 33.84 32.88 2ka9 n VAL 60 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2ka9 n ASN 61 N -2.28 -0.04 -0.76 6.55 4.13 -1.06 -2.79 115.26 119.02 2ka9 n ASN 61 Ca 0.06 0.14 -0.04 0.00 1.68 0.00 0.00 54.58 56.42 2ka9 n ASN 61 Cb 0.43 -0.04 -0.04 0.00 -1.54 0.00 0.00 39.78 38.59 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2ka9 n GLU 62 N -4.13 0.00 -5.03 3.52 2.13 -1.26 -4.96 120.64 110.92 2ka9 n GLU 62 Ca 0.01 -0.57 -0.29 0.00 0.66 0.00 0.00 57.16 56.97 2ka9 n GLU 62 Cb 0.04 0.35 -0.15 0.00 0.27 0.00 0.00 31.44 31.94 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ka9 s VAL 63 N 0.00 1.93 -1.17 6.31 1.01 -1.12 -5.06 120.40 122.29 2ka9 s VAL 63 Ca 0.00 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 2ka9 s VAL 63 Cb 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2ka9 s VAL 63 CO 0.00 0.44 1.63 1.51 0.00 0.00 0.00 175.10 178.67 2ka9 s ASP 64 N -0.85 6.63 -0.20 3.32 1.47 -1.26 -0.94 116.67 124.83 2ka9 s ASP 64 Ca 0.10 -1.99 0.04 0.00 1.18 0.00 0.00 52.55 51.88 2ka9 s ASP 64 Cb -0.09 -2.58 0.40 0.00 -0.34 0.00 0.00 42.92 40.31 2ka9 s ASP 64 CO 0.00 -1.38 1.39 1.33 0.68 0.00 0.00 175.17 177.19 2ka9 n VAL 65 N 6.66 1.96 0.19 2.11 0.24 -1.25 -4.07 118.33 124.15 2ka9 n VAL 65 Ca 0.42 -0.95 0.10 0.00 -2.04 0.00 0.00 64.34 61.87 2ka9 n VAL 65 Cb 0.48 -0.58 0.26 0.00 -1.47 0.00 0.00 33.84 32.53 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2ka9 n ARG 66 N -0.12 2.35 -1.93 7.34 1.85 -1.21 -4.28 116.66 120.67 2ka9 n ARG 66 Ca 0.26 -2.10 -0.02 0.00 -1.00 0.00 0.00 57.85 54.99 2ka9 n ARG 66 Cb 1.01 -1.46 0.05 0.00 -1.05 0.00 0.00 32.46 31.01 2ka9 n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2ka9 n GLU 67 N 1.21 0.70 -5.12 2.89 1.02 -1.26 -3.51 120.64 116.58 2ka9 n GLU 67 Ca 0.20 -0.80 -0.31 0.00 -0.02 0.00 0.00 57.16 56.22 2ka9 n GLU 67 Cb 0.50 0.35 -0.15 0.00 -0.02 0.00 0.00 31.44 32.12 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ka9 s VAL 68 N 0.07 2.30 1.05 2.62 -7.23 -1.26 -4.66 120.40 113.29 2ka9 s VAL 68 Ca 0.05 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.95 2ka9 s VAL 68 Cb 0.23 -1.84 0.04 0.00 0.56 0.00 0.00 36.38 35.37 2ka9 s VAL 68 CO -0.07 0.53 -0.06 0.41 -0.31 0.00 0.00 175.10 175.60 2ka9 n THR 69 N 2.24 0.00 -0.03 5.32 -1.04 -1.26 -1.87 114.28 117.64 2ka9 n THR 69 Ca -0.16 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.50 2ka9 n THR 69 Cb 0.51 -0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ka9 h HIS 70 N -1.75 0.14 -0.66 -1.42 2.76 -1.83 -1.79 115.15 110.60 2ka9 h HIS 70 Ca -0.49 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2ka9 h HIS 70 Cb 1.34 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.22 2ka9 h HIS 70 CO 0.22 0.08 0.39 0.77 -1.30 0.00 0.00 177.93 178.09 2ka9 h SER 71 N 0.17 0.79 -0.46 3.26 0.02 -1.91 -0.10 113.55 115.32 2ka9 h SER 71 Ca 0.07 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2ka9 h SER 71 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2ka9 h SER 71 CO -0.06 0.61 0.06 0.00 -1.14 0.00 0.00 176.83 176.31 2ka9 h ALA 72 N 1.53 1.12 -0.19 3.77 0.00 -1.76 0.31 119.26 124.04 2ka9 h ALA 72 Ca 0.24 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2ka9 h ALA 72 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2ka9 h ALA 72 CO -0.04 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.29 2ka9 h ALA 73 N 1.27 0.31 -0.43 0.00 0.00 -0.61 -1.38 119.26 118.42 2ka9 h ALA 73 Ca 0.16 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2ka9 h ALA 73 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2ka9 h ALA 73 CO 0.01 0.48 0.01 0.28 0.00 0.00 0.00 179.25 180.02 2ka9 h VAL 74 N 0.35 1.23 -0.13 0.00 2.07 -0.77 -1.53 116.25 117.46 2ka9 h VAL 74 Ca -0.01 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 2ka9 h VAL 74 Cb 1.10 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2ka9 h VAL 74 CO 0.11 0.32 -0.44 -0.33 0.02 0.00 0.00 177.57 177.25 2ka9 h GLU 75 N 0.65 0.31 -0.31 1.57 5.08 -0.27 0.55 114.58 122.16 2ka9 h GLU 75 Ca 0.13 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2ka9 h GLU 75 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ka9 h GLU 75 CO 0.01 0.69 -0.27 0.00 -1.00 0.00 0.00 179.01 178.44 2ka9 h ALA 76 N 1.29 0.45 0.00 3.43 0.00 -0.63 0.18 119.26 123.98 2ka9 h ALA 76 Ca 0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2ka9 h ALA 76 Cb 0.87 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ka9 h ALA 76 CO 0.07 0.45 -0.62 1.37 0.00 0.00 0.00 179.25 180.52 2ka9 h LEU 77 N 0.48 0.00 -0.27 0.00 8.10 -1.20 -1.78 115.31 120.65 2ka9 h LEU 77 Ca 0.05 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.85 2ka9 h LEU 77 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 2ka9 h LEU 77 CO 0.07 0.62 -0.59 0.50 -4.11 0.00 0.00 178.44 174.93 2ka9 h LYS 78 N 0.00 0.87 -0.84 0.17 3.64 0.30 -2.96 116.57 117.75 2ka9 h LYS 78 Ca -0.01 -0.58 -0.32 0.00 -1.27 0.00 0.00 60.65 58.47 2ka9 h LYS 78 Cb 1.39 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 33.10 2ka9 h LYS 78 CO 0.08 1.21 0.40 -0.85 -2.27 0.00 0.00 179.45 178.03 2ka9 n GLU 79 N -4.00 3.28 0.04 1.90 -0.00 0.62 -4.19 120.64 118.30 2ka9 n GLU 79 Ca -0.05 -3.08 0.11 0.00 -0.00 0.00 0.00 57.16 54.15 2ka9 n GLU 79 Cb 0.65 -2.22 -0.08 0.00 -0.00 0.00 0.00 31.44 29.80 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ka9 n ALA 80 N -0.47 2.74 0.00 -1.84 0.00 -0.68 -4.97 120.51 115.30 2ka9 n ALA 80 Ca 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2ka9 n ALA 80 Cb 1.50 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2ka9 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka9 n GLY 81 N 1.23 0.82 0.36 0.00 0.00 -1.26 -4.35 105.19 101.99 2ka9 n GLY 81 Ca -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.86 2ka9 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka9 n SER 82 N 0.00 0.32 -3.28 1.61 7.64 -1.26 -4.86 113.62 113.79 2ka9 n SER 82 Ca 0.00 -1.96 -0.07 0.00 1.01 0.00 0.00 58.87 57.84 2ka9 n SER 82 Cb 0.00 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.97 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 83 N -0.36 -0.68 -0.39 0.44 1.01 -1.26 0.49 121.20 120.45 2ka9 s ILE 83 Ca 0.04 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 2ka9 s ILE 83 Cb 0.03 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.88 2ka9 s ILE 83 CO 0.00 -0.27 0.67 0.68 0.00 0.00 0.00 174.94 176.03 2ka9 s VAL 84 N 2.05 4.82 -1.07 2.92 -7.23 -1.03 -4.86 120.40 116.00 2ka9 s VAL 84 Ca 0.14 0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 60.69 2ka9 s VAL 84 Cb -0.11 -4.16 0.27 0.00 0.56 0.00 0.00 36.38 32.94 2ka9 s VAL 84 CO -0.16 -0.46 1.05 -0.60 -0.31 0.00 0.00 175.10 174.63 2ka9 s ARG 85 N 2.86 4.06 0.15 4.82 3.52 -1.25 -1.00 118.95 132.11 2ka9 s ARG 85 Ca 0.25 -3.18 0.06 0.00 -0.13 0.00 0.00 55.73 52.74 2ka9 s ARG 85 Cb -0.14 -4.48 -0.04 0.00 -1.56 0.00 0.00 34.95 28.73 2ka9 s ARG 85 CO 0.17 -1.25 0.01 -0.48 -0.81 0.00 0.00 175.30 172.95 2ka9 s LEU 86 N -1.18 3.40 -0.34 -0.88 0.05 -0.26 -2.57 118.68 116.90 2ka9 s LEU 86 Ca 0.30 -0.30 -0.12 0.00 0.05 0.00 0.00 54.13 54.06 2ka9 s LEU 86 Cb -0.10 -2.07 -0.01 0.00 -2.05 0.00 0.00 46.19 41.96 2ka9 s LEU 86 CO -0.09 0.12 0.21 -0.47 -0.55 0.00 0.00 176.35 175.57 2ka9 s TYR 87 N -1.58 3.21 0.38 3.48 6.14 0.43 -0.35 117.35 129.06 2ka9 s TYR 87 Ca 0.27 -0.44 0.08 0.00 0.64 0.00 0.00 57.07 57.62 2ka9 s TYR 87 Cb -0.10 -2.43 -0.04 0.00 0.42 0.00 0.00 41.96 39.80 2ka9 s TYR 87 CO 0.19 -0.44 0.19 0.14 0.64 0.00 0.00 175.55 176.27 2ka9 s VAL 88 N 1.66 2.64 -0.23 3.14 -7.23 -0.49 -0.54 120.40 119.35 2ka9 s VAL 88 Ca 0.05 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2ka9 s VAL 88 Cb -0.18 -2.98 0.06 0.00 0.56 0.00 0.00 36.38 33.84 2ka9 s VAL 88 CO 0.09 -0.08 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.73 2ka9 s MET 89 N -3.91 1.36 -0.07 4.82 -1.94 -0.93 -2.26 119.30 116.36 2ka9 s MET 89 Ca 0.41 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.56 2ka9 s MET 89 Cb 0.00 -2.47 -0.00 0.00 2.01 0.00 0.00 34.83 34.37 2ka9 s MET 89 CO 0.23 -0.63 -0.23 -0.98 -0.01 0.00 0.00 175.02 173.40 2ka9 s ARG 90 N 1.50 2.63 0.02 2.03 1.70 -0.79 -1.98 118.95 124.06 2ka9 s ARG 90 Ca -0.04 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.18 2ka9 s ARG 90 Cb -0.18 -2.12 -0.06 0.00 -0.57 0.00 0.00 34.95 32.02 2ka9 s ARG 90 CO -0.07 0.27 0.57 1.03 -1.08 0.00 0.00 175.30 176.01 2ka9 s ARG 91 N 0.10 4.24 -0.92 3.89 3.00 -1.26 0.66 118.95 128.66 2ka9 s ARG 91 Ca -0.10 0.70 -0.09 0.00 0.00 0.00 0.00 55.73 56.24 2ka9 s ARG 91 Cb -0.15 -3.29 0.23 0.00 0.00 0.00 0.00 34.95 31.74 2ka9 s ARG 91 CO 0.06 0.50 0.85 0.21 0.00 0.00 0.00 175.30 176.92 2ka9 s LYS 92 N -0.60 3.64 -0.32 3.54 2.20 -1.26 -4.88 119.74 122.05 2ka9 s LYS 92 Ca 0.29 -2.88 -0.28 0.00 -0.36 0.00 0.00 55.97 52.74 2ka9 s LYS 92 Cb -0.19 -4.31 -0.04 0.00 -1.51 0.00 0.00 37.83 31.79 2ka9 s LYS 92 CO 0.17 -1.25 2.02 -1.25 -0.36 0.00 0.00 175.35 174.68 2ka9 s PRO 93 N -0.64 3.10 -0.43 4.03 0.04 -1.26 -4.80 135.00 135.04 2ka9 s PRO 93 Ca 0.24 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 2ka9 s PRO 93 Cb -0.11 -4.31 0.03 0.00 0.04 0.00 0.00 34.50 30.15 2ka9 s PRO 93 CO -0.09 -2.14 0.50 -1.25 0.04 0.00 0.00 177.00 174.07 2ka9 s PRO 94 N 6.25 3.14 -0.12 0.56 0.04 -1.26 -4.73 135.00 138.88 2ka9 s PRO 94 Ca 0.89 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.26 2ka9 s PRO 94 Cb -0.25 -3.98 0.24 0.00 0.04 0.00 0.00 34.50 30.55 2ka9 s PRO 94 CO 0.33 -0.92 1.13 0.00 0.04 0.00 0.00 177.00 177.57 2ka9 n ALA 95 N 5.79 3.27 -1.99 8.56 0.00 -1.26 -4.78 120.51 130.09 2ka9 n ALA 95 Ca -0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 53.44 52.34 2ka9 n ALA 95 Cb 0.47 -1.10 0.11 0.00 0.00 0.00 0.00 19.45 18.93 2ka9 n ALA 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2ka9 s GLU 96 N -1.31 1.62 -0.27 0.00 -1.05 -1.26 -3.87 118.70 112.56 2ka9 s GLU 96 Ca 0.18 -1.14 -0.25 0.00 -0.15 0.00 0.00 54.97 53.62 2ka9 s GLU 96 Cb 0.15 -2.32 0.07 0.00 -0.44 0.00 0.00 34.13 31.59 2ka9 s GLU 96 CO 0.04 -1.50 0.72 0.15 0.95 0.00 0.00 175.26 175.63 2ka9 s LYS 97 N -5.17 0.84 0.13 -4.83 -0.14 -1.25 -4.92 119.74 104.40 2ka9 s LYS 97 Ca 0.67 0.99 -0.18 0.00 -1.36 0.00 0.00 55.97 56.09 2ka9 s LYS 97 Cb -0.05 0.41 -0.07 0.00 -1.68 0.00 0.00 37.83 36.44 2ka9 s LYS 97 CO 0.45 -0.10 0.60 0.08 -0.76 0.00 0.00 175.35 175.61 2ka9 s VAL 98 N 0.38 4.74 0.30 3.17 1.01 -1.26 0.93 120.40 129.66 2ka9 s VAL 98 Ca 0.00 1.10 0.06 0.00 0.00 0.00 0.00 61.98 63.14 2ka9 s VAL 98 Cb -0.05 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 2ka9 s VAL 98 CO 0.01 0.38 -0.02 -0.04 0.00 0.00 0.00 175.10 175.43 2ka9 s MET 99 N -1.57 1.59 -0.25 2.72 -1.94 0.11 -4.95 119.30 115.00 2ka9 s MET 99 Ca 0.35 -1.83 -0.01 0.00 -1.71 0.00 0.00 55.69 52.49 2ka9 s MET 99 Cb -0.17 -1.08 0.08 0.00 2.01 0.00 0.00 34.83 35.66 2ka9 s MET 99 CO 0.20 -0.03 0.03 -2.00 -0.01 0.00 0.00 175.02 173.21 2ka9 s GLU 100 N -3.77 0.95 0.20 2.03 2.12 -1.26 -1.71 118.70 117.26 2ka9 s GLU 100 Ca 0.31 -0.85 0.10 0.00 0.36 0.00 0.00 54.97 54.90 2ka9 s GLU 100 Cb 0.05 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.17 2ka9 s GLU 100 CO 0.13 -0.76 -0.15 0.42 -0.54 0.00 0.00 175.26 174.36 2ka9 s ILE 101 N 1.62 2.84 -0.16 -3.70 -1.09 0.24 -4.97 121.20 115.99 2ka9 s ILE 101 Ca 0.02 -1.89 -0.01 0.00 -2.23 0.00 0.00 60.65 56.54 2ka9 s ILE 101 Cb -0.18 -2.41 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 2ka9 s ILE 101 CO -0.13 -0.16 -0.12 -1.59 -1.23 0.00 0.00 174.94 171.71 2ka9 s LYS 102 N -2.91 3.34 -0.14 2.79 -2.85 -1.26 0.12 119.74 118.83 2ka9 s LYS 102 Ca 0.24 -0.68 -0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2ka9 s LYS 102 Cb -0.08 -2.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.00 2ka9 s LYS 102 CO 0.14 0.07 -0.09 -1.17 0.10 0.00 0.00 175.35 174.40 2ka9 s LEU 103 N 0.72 1.50 0.04 2.77 0.20 0.91 -2.64 118.68 122.17 2ka9 s LEU 103 Ca -0.05 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.21 2ka9 s LEU 103 Cb -0.15 -0.98 -0.05 0.00 -0.43 0.00 0.00 46.19 44.57 2ka9 s LEU 103 CO 0.02 -0.12 0.33 0.27 -0.29 0.00 0.00 176.35 176.56 2ka9 s ILE 104 N 1.61 5.21 0.65 6.68 -4.36 -1.26 -1.98 121.20 127.74 2ka9 s ILE 104 Ca 0.04 0.31 -0.14 0.00 -0.26 0.00 0.00 60.65 60.59 2ka9 s ILE 104 Cb -0.13 -3.60 -0.01 0.00 1.25 0.00 0.00 42.46 39.96 2ka9 s ILE 104 CO -0.09 0.34 1.07 -0.75 0.24 0.00 0.00 174.94 175.75 2ka9 s LYS 105 N -1.80 3.01 0.00 0.37 2.20 0.18 -4.44 119.74 119.26 2ka9 s LYS 105 Ca 0.30 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.11 2ka9 s LYS 105 Cb -0.14 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2ka9 s LYS 105 CO 0.17 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.51 2ka9 n GLY 106 N -1.08 4.39 0.21 5.54 0.00 0.40 -4.95 105.19 109.72 2ka9 n GLY 106 Ca 0.09 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 2ka9 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka9 h PRO 107 N 0.00 0.74 -0.71 1.61 0.13 -1.98 -3.07 132.00 128.72 2ka9 h PRO 107 Ca 0.00 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2ka9 h PRO 107 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2ka9 h PRO 107 CO 0.00 1.26 0.00 0.36 -0.23 0.00 0.00 178.00 179.39 2ka9 n LYS 108 N -3.90 3.61 0.00 0.86 0.00 -1.26 -5.02 118.16 112.46 2ka9 n LYS 108 Ca -0.08 -2.14 0.00 0.00 -0.00 0.00 0.00 58.31 56.09 2ka9 n LYS 108 Cb 0.79 -2.00 0.00 0.00 -0.00 0.00 0.00 35.03 33.82 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka9 n GLY 109 N 0.46 0.52 0.14 2.58 0.00 -1.16 -4.45 105.19 103.28 2ka9 n GLY 109 Ca 0.19 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.53 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -2.39 0.99 4.07 -1.88 1.17 115.31 117.27 2ka9 h LEU 110 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2ka9 h LEU 110 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2ka9 h LEU 110 CO 0.00 0.15 -0.06 0.61 -1.08 0.00 0.00 178.44 178.06 2ka9 n GLY 111 N 1.20 0.54 3.63 0.83 0.00 -1.26 -3.36 105.19 106.78 2ka9 n GLY 111 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -3.03 -0.10 -0.27 1.61 -0.71 -1.26 -3.94 117.98 110.28 2ka9 s PHE 112 Ca 0.01 0.18 -0.06 0.00 -1.04 0.00 0.00 56.93 56.02 2ka9 s PHE 112 Cb -0.00 0.48 -0.00 0.00 -1.21 0.00 0.00 43.02 42.29 2ka9 s PHE 112 CO 0.05 -0.08 0.05 -1.12 -1.34 0.00 0.00 175.22 172.79 2ka9 s SER 113 N -0.87 4.97 0.30 1.98 0.01 0.27 -4.99 113.70 115.36 2ka9 s SER 113 Ca 0.07 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 56.89 2ka9 s SER 113 Cb -0.01 -1.86 -0.06 0.00 0.21 0.00 0.00 66.02 64.30 2ka9 s SER 113 CO -0.07 -0.12 -0.13 0.27 0.41 0.00 0.00 173.24 173.60 2ka9 s ILE 114 N 1.52 2.15 -0.11 1.44 -4.36 -1.26 0.13 121.20 120.72 2ka9 s ILE 114 Ca 0.04 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.20 2ka9 s ILE 114 Cb -0.16 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.13 2ka9 s ILE 114 CO 0.02 -0.33 -0.19 0.00 0.24 0.00 0.00 174.94 174.68 2ka9 s ALA 115 N -2.69 1.90 0.55 2.27 0.00 -0.98 -4.89 121.76 117.92 2ka9 s ALA 115 Ca 0.30 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 2ka9 s ALA 115 Cb -0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 2ka9 s ALA 115 CO 0.14 0.09 0.98 0.20 0.00 0.00 0.00 175.76 177.17 2ka9 s GLY 116 N 0.68 1.88 0.00 0.00 0.00 -1.23 -3.00 107.32 105.65 2ka9 s GLY 116 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2ka9 s GLY 116 CO 0.03 0.29 0.15 0.61 0.00 0.00 0.00 173.10 174.18 2ka9 n GLY 117 N -2.04 -1.85 3.66 0.20 0.00 -1.04 -2.10 105.19 102.02 2ka9 n GLY 117 Ca 0.06 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 2ka9 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ka9 n VAL 118 N -0.23 0.87 0.00 1.61 0.31 -1.26 -0.08 118.33 119.55 2ka9 n VAL 118 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2ka9 n VAL 118 Cb 0.00 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2ka9 n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ka9 n GLY 119 N 2.23 3.06 0.00 2.92 0.00 -1.26 -2.43 105.19 109.71 2ka9 n GLY 119 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2ka9 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ka9 n ASN 120 N 0.17 0.00 0.00 1.61 5.03 -0.60 -5.01 115.26 116.45 2ka9 n ASN 120 Ca 0.00 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.49 2ka9 n ASN 120 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.02 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ka9 n GLN 121 N 0.00 0.37 0.00 3.52 6.02 0.89 -3.54 117.38 124.64 2ka9 n GLN 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ka9 n GLN 121 Cb 0.00 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2ka9 n HIS 122 N -0.87 0.00 -3.96 1.08 -0.00 -1.26 -4.42 115.22 105.80 2ka9 n HIS 122 Ca 0.07 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.46 2ka9 n HIS 122 Cb 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.88 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 2.55 -0.81 3.57 -1.09 -1.26 -5.05 121.20 119.11 2ka9 s ILE 123 Ca 0.00 -2.18 -0.23 0.00 -2.23 0.00 0.00 60.65 56.01 2ka9 s ILE 123 Cb 0.00 -2.80 -0.19 0.00 -1.58 0.00 0.00 42.46 37.89 2ka9 s ILE 123 CO 0.00 -0.56 2.42 -2.65 -1.23 0.00 0.00 174.94 172.93 2ka9 n PRO 124 N 4.37 0.41 0.00 2.79 -0.02 -1.26 -1.44 135.00 139.85 2ka9 n PRO 124 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2ka9 n PRO 124 Cb 0.42 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 6.22 0.51 2.49 -1.23 0.00 -1.26 -5.07 105.19 106.84 2ka9 n GLY 125 Ca 0.54 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ka9 s ASP 126 N 0.00 2.43 0.57 1.61 1.47 -0.52 -4.97 116.67 117.25 2ka9 s ASP 126 Ca 0.00 -2.77 0.42 0.00 1.18 0.00 0.00 52.55 51.38 2ka9 s ASP 126 Cb 0.00 -0.57 1.50 0.00 -0.34 0.00 0.00 42.92 43.51 2ka9 s ASP 126 CO 0.00 -0.22 1.55 0.78 0.68 0.00 0.00 175.17 177.96 2ka9 h ASN 127 N 6.22 0.00 -3.27 2.11 2.35 -1.87 -3.42 115.58 117.70 2ka9 h ASN 127 Ca 0.16 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.34 2ka9 h ASN 127 Cb 0.92 0.00 0.18 0.00 0.05 0.00 0.00 38.32 39.47 2ka9 h ASN 127 CO 0.37 0.00 -0.29 -1.20 -1.65 0.00 0.00 177.43 174.66 2ka9 n SER 128 N -3.78 -0.80 -4.68 5.81 7.64 -1.26 -2.51 113.62 114.03 2ka9 n SER 128 Ca 0.35 0.64 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 2ka9 n SER 128 Cb 1.75 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N -1.83 4.26 -0.11 0.44 1.01 -1.20 -4.63 121.20 119.13 2ka9 s ILE 129 Ca 0.68 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.92 2ka9 s ILE 129 Cb -0.37 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 2ka9 s ILE 129 CO 0.55 -0.02 -0.14 -0.31 0.00 0.00 0.00 174.94 175.02 2ka9 s TYR 130 N 2.36 2.76 0.77 3.97 1.51 -1.16 -0.81 117.35 126.74 2ka9 s TYR 130 Ca 0.56 -0.57 -0.14 0.00 -1.01 0.00 0.00 57.07 55.90 2ka9 s TYR 130 Cb -0.24 -1.78 0.06 0.00 -0.11 0.00 0.00 41.96 39.89 2ka9 s TYR 130 CO 0.21 -0.14 1.20 0.08 -1.11 0.00 0.00 175.55 175.79 2ka9 s VAL 131 N 0.10 2.21 0.06 0.71 1.01 0.31 -2.32 120.40 122.49 2ka9 s VAL 131 Ca -0.07 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2ka9 s VAL 131 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2ka9 s VAL 131 CO 0.05 -0.06 -0.02 0.35 0.00 0.00 0.00 175.10 175.41 2ka9 n THR 132 N -3.00 0.99 -3.76 3.92 -2.24 0.36 -3.59 114.28 106.96 2ka9 n THR 132 Ca 0.13 0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 62.08 2ka9 n THR 132 Cb 0.50 -1.62 -0.10 0.00 -2.10 0.00 0.00 70.33 67.02 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 133 N -2.06 0.49 0.00 -0.78 2.36 -1.07 -4.70 119.74 113.98 2ka9 s LYS 133 Ca -0.02 0.23 0.04 0.00 -2.55 0.00 0.00 55.97 53.67 2ka9 s LYS 133 Cb 0.00 0.23 -0.01 0.00 -1.05 0.00 0.00 37.83 37.00 2ka9 s LYS 133 CO 0.03 -0.10 -0.13 0.42 1.55 0.00 0.00 175.35 177.12 2ka9 s ILE 134 N -0.37 1.06 0.93 5.43 1.01 -1.26 0.95 121.20 128.95 2ka9 s ILE 134 Ca -0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 2ka9 s ILE 134 Cb -0.03 -0.90 0.16 0.00 0.01 0.00 0.00 42.46 41.69 2ka9 s ILE 134 CO 0.02 0.21 1.20 -0.63 0.00 0.00 0.00 174.94 175.74 2ka9 s ILE 135 N -0.46 1.96 0.17 2.92 1.01 -1.25 -5.03 121.20 120.51 2ka9 s ILE 135 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 2ka9 s ILE 135 Cb -0.06 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 2ka9 s ILE 135 CO -0.00 0.00 0.46 -1.61 0.00 0.00 0.00 174.94 173.79 2ka9 s GLU 136 N -5.56 3.73 -1.37 2.79 2.02 -1.26 -4.17 118.70 114.87 2ka9 s GLU 136 Ca 0.67 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2ka9 s GLU 136 Cb -0.10 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2ka9 s GLU 136 CO 0.52 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.63 2ka9 n GLY 137 N 0.14 -0.36 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.36 2ka9 n GLY 137 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2ka9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 138 N -0.85 -0.20 0.06 -0.02 0.00 -1.26 -4.95 105.19 97.98 2ka9 n GLY 138 Ca -0.19 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 139 N -1.40 0.02 -0.07 4.61 0.00 -1.84 -3.25 119.26 117.34 2ka9 h ALA 139 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2ka9 h ALA 139 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ka9 h ALA 139 CO 0.00 0.09 -0.49 0.00 0.00 0.00 0.00 179.25 178.85 2ka9 h ALA 140 N -0.55 1.05 0.34 0.00 0.00 -1.77 -0.02 119.26 118.32 2ka9 h ALA 140 Ca -0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ka9 h ALA 140 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2ka9 h ALA 140 CO -0.02 0.64 -0.30 1.25 0.00 0.00 0.00 179.25 180.82 2ka9 h HIS 141 N 0.14 -0.81 -0.03 0.00 6.17 -1.82 1.72 115.15 120.53 2ka9 h HIS 141 Ca 0.01 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.06 2ka9 h HIS 141 Cb 0.92 0.31 0.00 0.00 2.52 0.00 0.00 27.41 31.16 2ka9 h HIS 141 CO 0.01 -0.44 -0.10 0.87 0.71 0.00 0.00 177.93 178.98 2ka9 h LYS 142 N -0.66 0.12 0.00 5.26 1.57 -1.58 -2.61 116.57 118.66 2ka9 h LYS 142 Ca -0.02 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2ka9 h LYS 142 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 2ka9 h LYS 142 CO -0.03 0.73 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.10 2ka9 h ASP 143 N -0.46 0.00 -0.10 0.86 5.19 -1.00 -3.38 116.42 117.53 2ka9 h ASP 143 Ca -0.00 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.37 2ka9 h ASP 143 Cb 0.74 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 2ka9 h ASP 143 CO 0.02 0.54 -0.00 1.23 -3.12 0.00 0.00 179.24 177.91 2ka9 h GLY 144 N -1.00 0.09 -0.64 2.75 0.00 0.23 -3.42 103.07 101.08 2ka9 h GLY 144 Ca -0.00 0.01 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 2ka9 h GLY 144 CO -0.00 -0.02 -0.25 0.54 0.00 0.00 0.00 176.54 176.81 2ka9 n ARG 145 N -5.11 -1.21 -3.19 4.80 5.12 0.32 -4.80 116.66 112.59 2ka9 n ARG 145 Ca -0.05 0.95 -0.45 0.00 -1.93 0.00 0.00 57.85 56.38 2ka9 n ARG 145 Cb 0.07 -5.14 -0.00 0.00 -1.16 0.00 0.00 32.46 26.23 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ka9 s LEU 146 N -3.05 5.89 1.20 0.55 2.34 -1.26 -5.03 118.68 119.31 2ka9 s LEU 146 Ca 0.00 -3.30 -0.14 0.00 0.06 0.00 0.00 54.13 50.75 2ka9 s LEU 146 Cb 0.00 -2.28 0.29 0.00 -0.56 0.00 0.00 46.19 43.64 2ka9 s LEU 146 CO 0.00 -0.48 1.02 0.00 -1.06 0.00 0.00 176.35 175.83 2ka9 s GLN 147 N -0.11 -1.16 -0.01 1.48 -2.07 -1.26 -4.67 119.66 111.86 2ka9 s GLN 147 Ca 0.34 0.66 -0.38 0.00 -1.82 0.00 0.00 55.36 54.16 2ka9 s GLN 147 Cb -0.07 -1.54 -0.17 0.00 -1.09 0.00 0.00 33.01 30.13 2ka9 s GLN 147 CO -0.05 -3.84 1.38 -0.89 -1.32 0.00 0.00 175.29 170.57 2ka9 n ILE 148 N -4.97 0.06 0.00 3.63 5.41 -1.26 -1.95 119.36 120.27 2ka9 n ILE 148 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2ka9 n ILE 148 Cb 0.56 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 2.73 1.63 3.72 7.39 0.00 -1.24 -5.02 105.19 114.40 2ka9 n GLY 149 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 150 N -1.30 6.78 -0.08 1.61 1.11 -0.82 -4.67 116.67 119.29 2ka9 s ASP 150 Ca 0.00 2.43 0.03 0.00 0.18 0.00 0.00 52.55 55.20 2ka9 s ASP 150 Cb 0.00 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 2ka9 s ASP 150 CO 0.00 -0.66 -0.19 -1.59 1.18 0.00 0.00 175.17 173.91 2ka9 s LYS 151 N 0.66 2.85 -0.16 8.23 0.00 -1.26 -0.53 119.74 129.54 2ka9 s LYS 151 Ca 0.63 -0.79 -0.06 0.00 0.00 0.00 0.00 55.97 55.76 2ka9 s LYS 151 Cb -0.39 -2.37 -0.04 0.00 0.00 0.00 0.00 37.83 35.04 2ka9 s LYS 151 CO 0.34 0.36 0.03 0.96 0.00 0.00 0.00 175.35 177.04 2ka9 s ILE 152 N -0.08 4.52 -2.08 3.79 -5.25 0.01 0.27 121.20 122.38 2ka9 s ILE 152 Ca -0.04 -0.14 0.24 0.00 -0.99 0.00 0.00 60.65 59.72 2ka9 s ILE 152 Cb -0.14 -3.00 0.12 0.00 2.95 0.00 0.00 42.46 42.39 2ka9 s ILE 152 CO 0.04 0.50 1.28 0.00 -1.79 0.00 0.00 174.94 174.97 2ka9 n LEU 153 N 3.25 1.82 0.00 0.37 -0.00 0.10 -3.25 117.00 119.28 2ka9 n LEU 153 Ca -0.17 -0.63 0.00 0.00 -0.00 0.00 0.00 56.01 55.21 2ka9 n LEU 153 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2ka9 n LEU 153 CO 0.33 0.33 0.00 0.00 -0.00 0.00 0.00 177.39 178.06 2ka9 n ALA 154 N -0.05 0.00 -3.45 1.47 0.00 -1.23 -4.69 120.51 112.56 2ka9 n ALA 154 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2ka9 n ALA 154 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 2ka9 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ka9 s VAL 155 N -1.99 4.65 0.00 0.00 1.01 -1.13 0.72 120.40 123.66 2ka9 s VAL 155 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2ka9 s VAL 155 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2ka9 s VAL 155 CO 0.00 -0.82 0.00 0.59 0.00 0.00 0.00 175.10 174.87 2ka9 n ASN 156 N 5.02 0.00 -0.86 3.32 3.02 0.18 -1.29 115.26 124.65 2ka9 n ASN 156 Ca -0.10 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.40 2ka9 n ASN 156 Cb 0.41 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ka9 n SER 157 N 1.83 -0.73 -4.84 6.41 7.64 -1.26 -4.98 113.62 117.70 2ka9 n SER 157 Ca 0.00 -1.48 -0.26 0.00 1.01 0.00 0.00 58.87 58.14 2ka9 n SER 157 Cb 0.00 0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.37 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ka9 s VAL 158 N 0.00 4.69 -0.87 0.44 1.01 -0.41 -5.06 120.40 120.20 2ka9 s VAL 158 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2ka9 s VAL 158 Cb 0.00 -3.41 0.25 0.00 0.00 0.00 0.00 36.38 33.22 2ka9 s VAL 158 CO 0.00 -0.11 0.95 0.61 0.00 0.00 0.00 175.10 176.55 2ka9 n GLY 159 N -0.42 4.60 0.76 4.51 0.00 -1.26 -2.84 105.19 110.53 2ka9 n GLY 159 Ca -0.08 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.27 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ka9 n LEU 160 N 1.61 1.84 -0.98 0.99 -0.00 -1.26 -2.77 117.00 116.44 2ka9 n LEU 160 Ca 0.25 -0.92 -0.04 0.00 -0.00 0.00 0.00 56.01 55.30 2ka9 n LEU 160 Cb 0.37 -0.45 -0.04 0.00 -0.00 0.00 0.00 43.42 43.30 2ka9 n LEU 160 CO 0.47 0.34 0.28 -1.84 -0.00 0.00 0.00 177.39 176.64 2ka9 n GLU 161 N 0.31 0.00 -1.18 1.47 -0.00 -1.26 -4.49 120.64 115.50 2ka9 n GLU 161 Ca 0.00 -1.00 0.04 0.00 -0.00 0.00 0.00 57.16 56.20 2ka9 n GLU 161 Cb 0.34 0.29 0.04 0.00 -0.00 0.00 0.00 31.44 32.11 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ka9 n ASP 162 N 0.08 0.91 0.00 -1.84 8.00 -1.11 -4.71 116.55 117.88 2ka9 n ASP 162 Ca -0.16 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.12 2ka9 n ASP 162 Cb 0.74 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 163 N 0.19 0.00 0.00 2.53 0.31 -1.26 -5.09 118.33 115.01 2ka9 n VAL 163 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2ka9 n VAL 163 Cb 1.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 2ka9 n VAL 163 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ka9 n MET 164 N -2.11 0.00 -0.06 5.55 2.81 -1.26 -4.83 117.12 117.23 2ka9 n MET 164 Ca 0.00 0.00 0.23 0.00 -1.81 0.00 0.00 57.70 56.12 2ka9 n MET 164 Cb 0.00 0.00 0.70 0.00 -0.71 0.00 0.00 33.22 33.21 2ka9 n MET 164 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2ka9 h HIS 165 N 0.00 0.01 -0.06 2.03 2.07 -1.75 0.22 115.15 117.67 2ka9 h HIS 165 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2ka9 h HIS 165 Cb 0.00 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.98 2ka9 h HIS 165 CO 0.00 0.00 -0.40 0.93 -3.07 0.00 0.00 177.93 175.40 2ka9 h GLU 166 N 0.01 0.38 -0.10 5.12 5.08 -1.94 -1.20 114.58 121.93 2ka9 h GLU 166 Ca 0.31 -0.33 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 2ka9 h GLU 166 Cb 1.23 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ka9 h GLU 166 CO -0.01 0.97 -0.70 -0.44 -1.00 0.00 0.00 179.01 177.83 2ka9 h ASP 167 N -0.10 0.52 0.10 1.42 3.32 -1.59 -1.29 116.42 118.80 2ka9 h ASP 167 Ca -0.03 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.55 2ka9 h ASP 167 Cb 1.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2ka9 h ASP 167 CO 0.08 1.06 -0.50 0.00 -1.72 0.00 0.00 179.24 178.16 2ka9 h ALA 168 N 0.93 0.82 -0.15 3.45 0.00 -0.70 0.42 119.26 124.03 2ka9 h ALA 168 Ca -0.03 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2ka9 h ALA 168 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ka9 h ALA 168 CO 0.12 0.67 -0.37 0.28 0.00 0.00 0.00 179.25 179.96 2ka9 h VAL 169 N 0.36 1.36 -0.03 0.00 2.07 -1.12 -1.16 116.25 117.72 2ka9 h VAL 169 Ca 0.02 -1.64 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 2ka9 h VAL 169 Cb 1.01 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2ka9 h VAL 169 CO 0.09 0.49 -0.56 0.00 0.02 0.00 0.00 177.57 177.61 2ka9 h ALA 170 N 0.54 1.01 0.00 1.67 0.00 -1.21 -1.16 119.26 120.12 2ka9 h ALA 170 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2ka9 h ALA 170 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ka9 h ALA 170 CO 0.08 0.70 -0.68 0.00 0.00 0.00 0.00 179.25 179.35 2ka9 h ALA 171 N 1.36 0.64 0.22 0.00 0.00 -0.89 -0.79 119.26 119.80 2ka9 h ALA 171 Ca -0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 53.95 2ka9 h ALA 171 Cb 1.01 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ka9 h ALA 171 CO 0.08 0.85 -1.55 1.37 0.00 0.00 0.00 179.25 180.00 2ka9 h LEU 172 N 0.00 0.74 -0.56 0.00 8.10 -1.07 -3.25 115.31 119.27 2ka9 h LEU 172 Ca -0.01 -0.88 -0.11 0.00 0.11 0.00 0.00 57.88 57.00 2ka9 h LEU 172 Cb 1.41 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 41.38 2ka9 h LEU 172 CO 0.09 1.70 -0.51 0.07 -4.11 0.00 0.00 178.44 175.68 2ka9 h LYS 173 N 0.13 0.00 0.00 0.17 5.09 -1.27 -2.86 116.57 117.83 2ka9 h LYS 173 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.46 2ka9 h LYS 173 Cb 2.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.47 2ka9 h LYS 173 CO 0.24 0.51 0.00 0.09 -2.09 0.00 0.00 179.45 178.20 2ka9 n ASN 174 N -3.46 0.00 -3.05 7.07 5.03 -0.30 -4.81 115.26 115.75 2ka9 n ASN 174 Ca 0.00 0.50 -0.05 0.00 0.87 0.00 0.00 54.58 55.90 2ka9 n ASN 174 Cb 0.63 -0.50 0.05 0.00 -1.02 0.00 0.00 39.78 38.94 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2ka9 n THR 175 N -1.50 0.00 -3.19 3.41 -2.24 -1.08 -5.04 114.28 104.64 2ka9 n THR 175 Ca 0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 2ka9 n THR 175 Cb 0.22 -0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2ka9 n THR 175 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ka9 s TYR 176 N -1.16 2.78 0.29 4.78 5.04 -1.26 -4.98 117.35 122.84 2ka9 s TYR 176 Ca 0.12 -0.43 0.26 0.00 -2.44 0.00 0.00 57.07 54.58 2ka9 s TYR 176 Cb -0.02 -2.31 1.43 0.00 0.35 0.00 0.00 41.96 41.40 2ka9 s TYR 176 CO 0.10 -0.32 1.78 0.22 -1.34 0.00 0.00 175.55 175.98 2ka9 h ASP 177 N 0.77 0.00 -2.02 4.32 3.58 -1.92 -3.32 116.42 117.83 2ka9 h ASP 177 Ca -0.40 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.67 2ka9 h ASP 177 Cb 1.28 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 42.01 2ka9 h ASP 177 CO 0.49 0.00 -0.69 -0.69 -2.88 0.00 0.00 179.24 175.47 2ka9 s VAL 178 N -3.77 -0.31 0.09 2.25 1.01 -1.26 0.51 120.40 118.92 2ka9 s VAL 178 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2ka9 s VAL 178 Cb 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ka9 s VAL 178 CO 0.24 -0.60 -0.22 0.68 0.00 0.00 0.00 175.10 175.20 2ka9 s VAL 179 N 1.54 2.56 -0.22 2.92 -7.23 -0.84 -4.96 120.40 114.16 2ka9 s VAL 179 Ca 0.16 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2ka9 s VAL 179 Cb -0.16 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2ka9 s VAL 179 CO -0.07 0.19 0.12 -0.31 -0.31 0.00 0.00 175.10 174.72 2ka9 s TYR 180 N -1.02 3.27 0.15 2.82 1.51 -1.26 -0.07 117.35 122.75 2ka9 s TYR 180 Ca 0.15 0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.40 2ka9 s TYR 180 Cb -0.10 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2ka9 s TYR 180 CO 0.07 0.05 -0.05 -0.48 -1.11 0.00 0.00 175.55 174.03 2ka9 s LEU 181 N 0.92 3.19 -0.27 -1.29 0.05 0.32 0.51 118.68 122.11 2ka9 s LEU 181 Ca 0.06 -0.40 -0.14 0.00 0.05 0.00 0.00 54.13 53.70 2ka9 s LEU 181 Cb -0.13 -1.90 -0.04 0.00 -2.05 0.00 0.00 46.19 42.07 2ka9 s LEU 181 CO 0.03 0.13 0.33 -0.75 -0.55 0.00 0.00 176.35 175.54 2ka9 s LYS 182 N -2.64 4.01 0.26 1.48 2.47 0.22 -0.59 119.74 124.95 2ka9 s LYS 182 Ca 0.25 -0.03 0.06 0.00 -1.56 0.00 0.00 55.97 54.69 2ka9 s LYS 182 Cb -0.10 -3.65 -0.03 0.00 -1.46 0.00 0.00 37.83 32.59 2ka9 s LYS 182 CO 0.17 -0.24 0.31 0.08 0.16 0.00 0.00 175.35 175.83 2ka9 s VAL 183 N 1.95 4.81 -0.06 4.02 1.01 -0.69 -0.73 120.40 130.72 2ka9 s VAL 183 Ca 0.13 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 183 Cb -0.16 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2ka9 s VAL 183 CO 0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 175.10 174.70 2ka9 s ALA 184 N -2.06 1.65 0.28 5.51 0.00 0.14 0.06 121.76 127.34 2ka9 s ALA 184 Ca 0.35 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 2ka9 s ALA 184 Cb -0.09 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 2ka9 s ALA 184 CO 0.28 0.27 0.79 0.15 0.00 0.00 0.00 175.76 177.25 2ka9 s LYS 185 N 0.14 4.26 -0.29 0.00 1.02 0.26 -4.16 119.74 120.98 2ka9 s LYS 185 Ca -0.07 0.94 -0.34 0.00 0.02 0.00 0.00 55.97 56.52 2ka9 s LYS 185 Cb -0.13 -2.70 -0.11 0.00 -0.52 0.00 0.00 37.83 34.37 2ka9 s LYS 185 CO 0.03 0.28 2.13 -0.35 -0.92 0.00 0.00 175.35 176.53 2ka9 n PRO 186 N 0.33 1.37 -1.71 -1.68 -0.04 -1.26 -3.75 135.00 128.26 2ka9 n PRO 186 Ca 0.01 0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 63.49 2ka9 n PRO 186 Cb 0.52 -2.60 0.06 0.00 -0.04 0.00 0.00 33.50 31.44 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ka9 n SER 187 N 9.54 1.95 -2.26 3.54 7.64 -1.26 -2.09 113.62 130.68 2ka9 n SER 187 Ca 0.36 0.86 -0.15 0.00 1.01 0.00 0.00 58.87 60.95 2ka9 n SER 187 Cb 0.27 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 2ka9 n SER 187 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2ka9 n ASN 188 N -1.42 -4.52 0.00 6.43 2.85 -1.25 -4.79 115.26 112.56 2ka9 n ASN 188 Ca 0.14 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 2ka9 n ASN 188 Cb 0.47 -3.86 0.00 0.00 1.24 0.00 0.00 39.78 37.63 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15