#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 2.42 0.15 3.17 2.02 0.34 -4.83 118.70 121.97 2ka9 s GLU 2 Ca 0.00 -1.24 -0.10 0.00 0.02 0.00 0.00 54.97 53.65 2ka9 s GLU 2 Cb 0.00 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.63 2ka9 s GLU 2 CO 0.00 -0.74 0.30 1.52 0.02 0.00 0.00 175.26 176.36 2ka9 s TYR 3 N -2.67 0.28 -0.30 1.61 1.13 -1.26 0.41 117.35 116.56 2ka9 s TYR 3 Ca 0.59 -0.65 -0.32 0.00 -1.41 0.00 0.00 57.07 55.29 2ka9 s TYR 3 Cb -0.08 -0.00 0.19 0.00 -1.10 0.00 0.00 41.96 40.97 2ka9 s TYR 3 CO 0.38 -0.71 1.39 -1.83 -2.51 0.00 0.00 175.55 172.27 2ka9 s GLU 4 N -3.93 0.01 0.33 -3.49 -1.05 -0.34 -4.95 118.70 105.27 2ka9 s GLU 4 Ca 0.14 0.00 -0.18 0.00 -0.15 0.00 0.00 54.97 54.78 2ka9 s GLU 4 Cb 0.03 0.01 -0.09 0.00 -0.44 0.00 0.00 34.13 33.63 2ka9 s GLU 4 CO -0.03 -0.00 0.80 -1.83 0.95 0.00 0.00 175.26 175.14 2ka9 s GLU 5 N -1.26 4.13 0.02 -4.83 -1.05 -1.26 -1.35 118.70 113.10 2ka9 s GLU 5 Ca 0.10 0.85 -0.12 0.00 -0.15 0.00 0.00 54.97 55.65 2ka9 s GLU 5 Cb -0.01 -2.48 0.01 0.00 -0.44 0.00 0.00 34.13 31.22 2ka9 s GLU 5 CO -0.07 0.16 0.26 0.42 0.95 0.00 0.00 175.26 176.98 2ka9 s ILE 6 N -1.92 0.08 -0.12 1.83 1.01 0.21 -4.95 121.20 117.34 2ka9 s ILE 6 Ca 0.54 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2ka9 s ILE 6 Cb -0.12 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2ka9 s ILE 6 CO 0.17 -0.37 -0.17 0.42 0.00 0.00 0.00 174.94 174.99 2ka9 s THR 7 N -2.06 2.70 -0.38 2.92 -4.23 -1.26 -1.73 115.64 111.61 2ka9 s THR 7 Ca -0.09 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2ka9 s THR 7 Cb -0.03 -2.10 0.13 0.00 1.34 0.00 0.00 72.50 71.84 2ka9 s THR 7 CO -0.01 0.54 0.21 -0.22 -0.54 0.00 0.00 174.62 174.60 2ka9 s LEU 8 N 0.31 1.77 0.99 4.79 2.96 -0.75 -4.93 118.68 123.82 2ka9 s LEU 8 Ca -0.13 -2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 51.40 2ka9 s LEU 8 Cb -0.16 -0.70 0.18 0.00 0.50 0.00 0.00 46.19 46.01 2ka9 s LEU 8 CO 0.07 -0.31 1.09 -1.61 -1.32 0.00 0.00 176.35 174.27 2ka9 s GLU 9 N 0.89 0.49 -0.54 1.98 2.02 -1.26 -2.41 118.70 119.89 2ka9 s GLU 9 Ca 0.17 0.56 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 2ka9 s GLU 9 Cb -0.23 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 2ka9 s GLU 9 CO -0.04 -2.70 1.63 1.03 0.02 0.00 0.00 175.26 175.21 2ka9 s ARG 10 N -4.95 3.09 -0.74 1.61 0.52 0.22 -4.54 118.95 114.15 2ka9 s ARG 10 Ca 0.65 0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 56.39 2ka9 s ARG 10 Cb -0.19 -4.23 -0.12 0.00 0.52 0.00 0.00 34.95 30.94 2ka9 s ARG 10 CO 0.58 -2.19 1.92 0.41 0.02 0.00 0.00 175.30 176.04 2ka9 n GLY 11 N 5.44 2.63 5.51 -3.53 0.00 0.25 -4.63 105.19 110.85 2ka9 n GLY 11 Ca 0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2ka9 n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ka9 n ASN 12 N 6.20 0.00 -1.51 1.61 5.15 -1.26 -3.76 115.26 121.69 2ka9 n ASN 12 Ca 0.45 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.32 2ka9 n ASN 12 Cb 0.28 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.72 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ka9 n SER 13 N 3.81 2.99 0.00 1.20 7.64 -1.26 -5.06 113.62 122.95 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2ka9 n SER 13 Cb 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka9 n GLY 14 N -1.12 0.85 0.08 0.23 0.00 -1.25 -4.92 105.19 99.06 2ka9 n GLY 14 Ca 0.42 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.65 0.99 4.07 -1.88 0.73 115.31 118.57 2ka9 h LEU 15 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.36 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 1.09 0.00 0.61 -1.08 0.00 0.00 178.44 179.06 2ka9 n GLY 16 N 1.57 0.44 3.51 0.83 0.00 -1.26 0.11 105.19 110.38 2ka9 n GLY 16 Ca -0.16 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.59 -0.45 -0.18 1.61 -0.12 -1.26 -2.80 117.98 114.19 2ka9 s PHE 17 Ca 0.00 0.51 -0.04 0.00 -0.05 0.00 0.00 56.93 57.35 2ka9 s PHE 17 Cb 0.00 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 2ka9 s PHE 17 CO 0.00 -0.57 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.45 2ka9 s SER 18 N -1.97 4.73 0.33 1.98 0.01 0.11 -4.95 113.70 113.95 2ka9 s SER 18 Ca -0.00 -0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.16 2ka9 s SER 18 Cb -0.01 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.37 2ka9 s SER 18 CO -0.04 0.11 -0.09 0.27 0.41 0.00 0.00 173.24 173.90 2ka9 s ILE 19 N 0.73 2.17 -0.13 1.44 -4.36 -1.26 -0.11 121.20 119.67 2ka9 s ILE 19 Ca -0.01 -2.20 -0.32 0.00 -0.26 0.00 0.00 60.65 57.86 2ka9 s ILE 19 Cb -0.14 -2.62 0.13 0.00 1.25 0.00 0.00 42.46 41.08 2ka9 s ILE 19 CO 0.02 -0.22 1.08 0.00 0.24 0.00 0.00 174.94 176.06 2ka9 s ALA 20 N -2.66 -1.97 0.00 2.27 0.00 -1.10 -4.90 121.76 113.40 2ka9 s ALA 20 Ca 0.32 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2ka9 s ALA 20 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2ka9 s ALA 20 CO 0.16 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2ka9 n GLY 21 N 0.02 0.45 0.00 0.00 0.00 -1.26 -3.63 105.19 100.77 2ka9 n GLY 21 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.68 0.31 -0.02 0.00 -1.25 -4.21 105.19 102.70 2ka9 n GLY 22 Ca 0.00 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 0.00 2.61 1.03 -0.44 -2.45 112.91 113.66 2ka9 h THR 23 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.29 2ka9 h THR 23 Cb 0.00 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 67.87 2ka9 h THR 23 CO 0.00 0.00 -0.80 0.44 -0.01 0.00 0.00 175.52 175.15 2ka9 h ASP 24 N 0.00 0.00 -3.30 0.00 5.19 -1.86 -3.44 116.42 113.01 2ka9 h ASP 24 Ca 0.00 -0.30 -0.62 0.00 -0.62 0.00 0.00 57.03 55.49 2ka9 h ASP 24 Cb 0.25 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.35 2ka9 h ASP 24 CO 0.00 1.10 -0.59 0.21 -3.12 0.00 0.00 179.24 176.84 2ka9 s ASN 25 N -6.28 4.70 0.23 6.45 2.47 -1.03 -5.09 114.94 116.39 2ka9 s ASN 25 Ca -0.21 -3.71 -0.30 0.00 0.42 0.00 0.00 52.86 49.07 2ka9 s ASN 25 Cb 0.03 -1.62 -0.15 0.00 -1.45 0.00 0.00 41.25 38.06 2ka9 s ASN 25 CO 0.41 -0.11 0.99 -2.65 -3.72 0.00 0.00 177.10 172.02 2ka9 n PRO 26 N 2.17 1.08 0.27 0.43 -0.02 -0.95 -3.78 135.00 134.19 2ka9 n PRO 26 Ca 0.17 0.38 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 2ka9 n PRO 26 Cb 0.35 -1.74 0.68 0.00 -0.02 0.00 0.00 33.50 32.77 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 2.31 0.00 0.00 6.00 -0.00 -1.79 -3.21 115.15 118.47 2ka9 h HIS 27 Ca -0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.80 2ka9 h HIS 27 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.73 2ka9 h HIS 27 CO 0.49 0.00 -1.68 0.44 -0.00 0.00 0.00 177.93 177.18 2ka9 n ILE 28 N -3.02 0.68 -0.24 6.26 -5.35 -1.26 -4.95 119.36 111.48 2ka9 n ILE 28 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2ka9 n ILE 28 Cb 0.29 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 2.41 1.69 1.12 3.28 0.00 -1.21 -4.96 105.19 107.52 2ka9 n GLY 29 Ca -0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2ka9 n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ka9 n ASP 30 N 0.25 -0.41 -3.26 1.61 5.68 -1.26 -5.05 116.55 114.10 2ka9 n ASP 30 Ca 0.00 -0.97 0.03 0.00 -0.50 0.00 0.00 54.79 53.35 2ka9 n ASP 30 Cb 0.06 0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ka9 s ASP 31 N -0.37 -1.12 0.45 -1.12 2.15 -1.26 -5.03 116.67 110.36 2ka9 s ASP 31 Ca 0.01 0.90 0.16 0.00 0.43 0.00 0.00 52.55 54.05 2ka9 s ASP 31 Cb 0.06 2.02 1.02 0.00 -0.30 0.00 0.00 42.92 45.72 2ka9 s ASP 31 CO -0.02 -0.21 1.98 -0.65 -0.17 0.00 0.00 175.17 176.10 2ka9 h PRO 32 N 7.96 0.00 -7.33 4.34 0.11 -1.88 -3.41 132.00 131.79 2ka9 h PRO 32 Ca -0.20 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.49 2ka9 h PRO 32 Cb 1.15 0.00 0.19 0.00 0.11 0.00 0.00 31.00 32.45 2ka9 h PRO 32 CO 0.16 0.20 0.10 0.45 -0.21 0.00 0.00 178.00 178.70 2ka9 s SER 33 N -6.88 0.89 0.14 -2.05 0.15 -1.25 -1.52 113.70 103.16 2ka9 s SER 33 Ca -0.04 0.79 0.09 0.00 0.70 0.00 0.00 55.95 57.49 2ka9 s SER 33 Cb 0.15 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 2ka9 s SER 33 CO 0.69 -4.16 -0.21 -0.63 1.20 0.00 0.00 173.24 170.12 2ka9 s ILE 34 N -2.87 1.89 0.18 6.45 1.09 -1.26 -4.14 121.20 122.53 2ka9 s ILE 34 Ca 0.70 -1.75 -0.01 0.00 -1.10 0.00 0.00 60.65 58.49 2ka9 s ILE 34 Cb -0.12 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.47 2ka9 s ILE 34 CO 0.57 -0.13 0.11 0.72 -0.10 0.00 0.00 174.94 176.10 2ka9 s PHE 35 N -1.49 1.08 0.21 3.97 -0.71 -1.24 -3.09 117.98 116.71 2ka9 s PHE 35 Ca 0.12 -1.33 -0.03 0.00 -1.04 0.00 0.00 56.93 54.65 2ka9 s PHE 35 Cb -0.08 -0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 41.13 2ka9 s PHE 35 CO 0.06 -0.59 0.42 0.42 -1.34 0.00 0.00 175.22 174.19 2ka9 s ILE 36 N -4.11 5.15 -0.12 -4.49 1.01 0.29 -2.70 121.20 116.23 2ka9 s ILE 36 Ca 0.34 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.91 2ka9 s ILE 36 Cb 0.07 -3.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.70 2ka9 s ILE 36 CO 0.09 -0.15 0.02 0.41 0.00 0.00 0.00 174.94 175.30 2ka9 n THR 37 N -0.54 0.79 -3.59 2.92 -1.04 0.84 -2.62 114.28 111.04 2ka9 n THR 37 Ca -0.03 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 2ka9 n THR 37 Cb 0.53 -0.74 -0.05 0.00 -1.82 0.00 0.00 70.33 68.26 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ka9 s LYS 38 N -2.28 0.46 -0.05 -2.82 2.36 -1.24 -4.82 119.74 111.36 2ka9 s LYS 38 Ca -0.08 0.11 0.02 0.00 -2.55 0.00 0.00 55.97 53.47 2ka9 s LYS 38 Cb 0.04 0.22 -0.03 0.00 -1.05 0.00 0.00 37.83 37.00 2ka9 s LYS 38 CO 0.45 -0.15 -0.07 0.42 1.55 0.00 0.00 175.35 177.56 2ka9 s ILE 39 N -1.12 3.69 -0.18 5.43 1.01 -1.26 0.04 121.20 128.81 2ka9 s ILE 39 Ca 0.01 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 2ka9 s ILE 39 Cb -0.01 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2ka9 s ILE 39 CO -0.01 0.53 0.77 -0.63 0.00 0.00 0.00 174.94 175.61 2ka9 s ILE 40 N -0.87 4.92 -0.43 2.92 1.01 -1.12 -4.94 121.20 122.68 2ka9 s ILE 40 Ca 0.14 1.50 -0.14 0.00 0.00 0.00 0.00 60.65 62.15 2ka9 s ILE 40 Cb -0.11 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 2ka9 s ILE 40 CO 0.03 0.05 1.66 -2.65 0.00 0.00 0.00 174.94 174.03 2ka9 n PRO 41 N 5.20 0.92 0.03 2.79 -0.02 -1.26 -3.01 135.00 139.65 2ka9 n PRO 41 Ca 0.03 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.31 2ka9 n PRO 41 Cb 0.49 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 42 N 4.30 -0.73 3.37 -1.23 0.00 -1.26 -5.07 105.19 104.56 2ka9 n GLY 42 Ca 0.35 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 1.47 0.40 -0.02 0.00 -1.16 -4.76 107.32 101.23 2ka9 s GLY 43 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.33 2ka9 s GLY 43 CO 0.00 0.42 2.03 0.00 0.00 0.00 0.00 173.10 175.55 2ka9 h ALA 44 N -3.13 1.72 -0.76 3.20 0.00 0.86 -2.28 119.26 118.87 2ka9 h ALA 44 Ca -0.54 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.49 2ka9 h ALA 44 Cb 1.34 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 2ka9 h ALA 44 CO 0.40 0.23 0.29 0.00 0.00 0.00 0.00 179.25 180.16 2ka9 h ALA 45 N 1.70 1.07 0.00 0.00 0.00 0.47 0.52 119.26 123.02 2ka9 h ALA 45 Ca 0.20 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2ka9 h ALA 45 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ka9 h ALA 45 CO -0.05 -0.24 -0.49 0.00 0.00 0.00 0.00 179.25 178.47 2ka9 h ALA 46 N 1.57 1.01 -0.23 0.00 0.00 -1.60 0.90 119.26 120.91 2ka9 h ALA 46 Ca 0.42 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2ka9 h ALA 46 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ka9 h ALA 46 CO -0.43 0.61 -0.61 1.96 0.00 0.00 0.00 179.25 180.78 2ka9 h GLN 47 N 0.00 0.79 0.00 0.00 4.20 -0.20 -3.15 115.11 116.75 2ka9 h GLN 47 Ca -0.00 -0.54 -0.21 0.00 0.06 0.00 0.00 58.65 57.95 2ka9 h GLN 47 Cb 0.97 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2ka9 h GLN 47 CO 0.06 1.17 -1.26 -0.44 -0.67 0.00 0.00 178.83 177.69 2ka9 h ASP 48 N 0.59 0.00 -7.05 1.46 3.32 -0.04 -3.48 116.42 111.23 2ka9 h ASP 48 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ka9 h ASP 48 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2ka9 h ASP 48 CO 0.13 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2ka9 n GLY 49 N 1.41 0.00 0.00 2.75 0.00 0.31 -4.73 105.19 104.94 2ka9 n GLY 49 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.91 2.04 -4.47 1.61 0.00 -1.26 -5.03 116.66 108.63 2ka9 n ARG 50 Ca 0.00 -0.04 -0.26 0.00 -0.00 0.00 0.00 57.85 57.54 2ka9 n ARG 50 Cb 0.00 -1.08 -0.10 0.00 -0.00 0.00 0.00 32.46 31.28 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 51 N -3.07 2.90 0.24 2.89 2.34 -1.26 -5.13 118.68 117.58 2ka9 s LEU 51 Ca -0.00 -1.21 0.07 0.00 0.06 0.00 0.00 54.13 53.05 2ka9 s LEU 51 Cb 0.06 -1.09 -0.04 0.00 -0.56 0.00 0.00 46.19 44.56 2ka9 s LEU 51 CO 0.37 -0.36 0.13 -0.60 -1.06 0.00 0.00 176.35 174.84 2ka9 s ARG 52 N -3.71 2.75 -0.01 1.48 6.06 -1.26 -5.05 118.95 119.21 2ka9 s ARG 52 Ca 0.35 -1.12 -0.24 0.00 -2.50 0.00 0.00 55.73 52.23 2ka9 s ARG 52 Cb 0.05 -2.47 -0.19 0.00 0.06 0.00 0.00 34.95 32.41 2ka9 s ARG 52 CO 0.19 0.41 1.25 -0.39 -2.50 0.00 0.00 175.30 174.25 2ka9 h VAL 53 N 1.71 1.41 0.00 7.11 -1.51 -1.90 -3.12 116.25 119.94 2ka9 h VAL 53 Ca -0.47 -1.35 0.00 0.00 -1.23 0.00 0.00 66.70 63.65 2ka9 h VAL 53 Cb 1.23 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2ka9 h VAL 53 CO 0.61 0.37 0.00 0.59 -1.23 0.00 0.00 177.57 177.91 2ka9 n ASN 54 N -4.69 0.00 -4.90 4.19 3.02 -1.08 0.10 115.26 111.91 2ka9 n ASN 54 Ca -0.08 -0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.12 2ka9 n ASN 54 Cb 0.33 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.99 6.12 -0.21 6.41 -4.77 -1.18 -4.78 116.67 116.26 2ka9 s ASP 55 Ca 0.03 1.06 0.01 0.00 -3.30 0.00 0.00 52.55 50.34 2ka9 s ASP 55 Cb 0.01 -2.22 0.05 0.00 -1.09 0.00 0.00 42.92 39.67 2ka9 s ASP 55 CO 0.02 -0.78 -0.09 -0.94 0.70 0.00 0.00 175.17 174.08 2ka9 s SER 56 N -4.17 3.59 -0.70 2.11 1.04 -0.85 -2.48 113.70 112.24 2ka9 s SER 56 Ca 0.51 -1.00 -0.25 0.00 0.48 0.00 0.00 55.95 55.70 2ka9 s SER 56 Cb -0.11 -1.25 -0.14 0.00 0.10 0.00 0.00 66.02 64.63 2ka9 s SER 56 CO 0.48 -0.17 2.42 2.30 0.98 0.00 0.00 173.24 179.26 2ka9 n ILE 57 N 4.66 -0.04 0.29 -1.02 -5.35 -1.18 -1.67 119.36 115.05 2ka9 n ILE 57 Ca -0.14 -0.58 0.17 0.00 -0.27 0.00 0.00 62.75 61.93 2ka9 n ILE 57 Cb 0.46 -2.03 0.86 0.00 -1.74 0.00 0.00 39.64 37.19 2ka9 n ILE 57 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 2ka9 h LEU 58 N 19.34 0.00 -7.18 7.28 -0.00 -0.26 -3.39 115.31 131.10 2ka9 h LEU 58 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.69 2ka9 h LEU 58 Cb 1.16 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.61 2ka9 h LEU 58 CO 1.16 0.05 -0.02 0.12 -0.00 0.00 0.00 178.44 179.75 2ka9 s PHE 59 N -4.00 -0.54 -0.14 0.17 5.36 0.11 -2.58 117.98 116.36 2ka9 s PHE 59 Ca -0.02 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 57.07 2ka9 s PHE 59 Cb 0.12 0.25 0.03 0.00 -0.34 0.00 0.00 43.02 43.08 2ka9 s PHE 59 CO 0.52 -0.42 -0.06 0.14 -1.46 0.00 0.00 175.22 173.94 2ka9 s VAL 60 N -0.53 1.04 0.00 3.12 -7.23 -0.98 0.16 120.40 115.99 2ka9 s VAL 60 Ca -0.06 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2ka9 s VAL 60 Cb -0.03 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.75 2ka9 s VAL 60 CO 0.04 0.22 0.00 0.59 -0.31 0.00 0.00 175.10 175.65 2ka9 n ASN 61 N 4.91 0.00 -1.25 4.85 3.02 0.31 -0.10 115.26 127.00 2ka9 n ASN 61 Ca -0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.41 2ka9 n ASN 61 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ka9 n GLU 62 N 0.00 0.02 -5.10 3.52 1.02 -1.26 -4.91 120.64 113.93 2ka9 n GLU 62 Ca 0.00 -1.47 -0.30 0.00 -0.02 0.00 0.00 57.16 55.37 2ka9 n GLU 62 Cb 0.00 0.26 -0.15 0.00 -0.02 0.00 0.00 31.44 31.53 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka9 s VAL 63 N -0.02 2.00 -0.97 2.62 1.01 0.85 -5.07 120.40 120.82 2ka9 s VAL 63 Ca 0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2ka9 s VAL 63 Cb 0.18 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.91 2ka9 s VAL 63 CO -0.08 0.47 1.57 -1.81 0.00 0.00 0.00 175.10 175.25 2ka9 s ASP 64 N -0.83 6.14 -0.48 3.32 1.11 -1.26 -2.31 116.67 122.36 2ka9 s ASP 64 Ca 0.10 -1.19 0.03 0.00 0.18 0.00 0.00 52.55 51.67 2ka9 s ASP 64 Cb -0.10 -2.57 0.57 0.00 1.07 0.00 0.00 42.92 41.90 2ka9 s ASP 64 CO 0.00 -1.83 1.84 0.55 1.18 0.00 0.00 175.17 176.91 2ka9 n VAL 65 N 7.11 3.18 1.25 -1.27 3.14 -1.22 -4.47 118.33 126.05 2ka9 n VAL 65 Ca 0.33 -2.46 0.09 0.00 -2.96 0.00 0.00 64.34 59.34 2ka9 n VAL 65 Cb 0.50 -0.67 0.32 0.00 -1.06 0.00 0.00 33.84 32.93 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2ka9 n ARG 66 N -1.06 1.64 0.00 1.45 0.00 -1.07 -4.41 116.66 113.21 2ka9 n ARG 66 Ca 0.56 -0.97 0.00 0.00 -0.00 0.00 0.00 57.85 57.43 2ka9 n ARG 66 Cb 1.26 -1.33 0.00 0.00 -0.00 0.00 0.00 32.46 32.38 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2ka9 n GLU 67 N 0.22 0.00 -4.88 2.89 0.28 -1.26 -3.89 120.64 114.00 2ka9 n GLU 67 Ca 0.14 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.82 2ka9 n GLU 67 Cb 0.28 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.01 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.00 2.83 0.88 3.84 -7.23 -1.25 -4.62 120.40 114.84 2ka9 s VAL 68 Ca 0.00 -0.93 -0.14 0.00 -1.81 0.00 0.00 61.98 59.10 2ka9 s VAL 68 Cb 0.00 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2ka9 s VAL 68 CO 0.00 0.51 0.26 0.35 -0.31 0.00 0.00 175.10 175.90 2ka9 n THR 69 N 2.08 0.53 -0.16 5.32 -2.24 -1.26 -1.77 114.28 116.78 2ka9 n THR 69 Ca -0.17 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 2ka9 n THR 69 Cb 0.52 -0.55 0.06 0.00 -2.10 0.00 0.00 70.33 68.26 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2ka9 h HIS 70 N -1.08 -0.04 -0.79 4.78 2.76 -1.85 -1.05 115.15 117.88 2ka9 h HIS 70 Ca -0.44 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 57.85 2ka9 h HIS 70 Cb 1.31 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 30.30 2ka9 h HIS 70 CO 0.35 -0.12 0.46 0.77 -1.30 0.00 0.00 177.93 178.08 2ka9 h SER 71 N 0.11 0.67 -0.29 3.26 0.02 -1.95 0.11 113.55 115.49 2ka9 h SER 71 Ca 0.26 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2ka9 h SER 71 Cb 0.39 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2ka9 h SER 71 CO -0.42 0.40 0.08 0.00 -1.14 0.00 0.00 176.83 175.75 2ka9 h ALA 72 N 1.42 1.47 -0.25 3.77 0.00 -1.54 0.13 119.26 124.26 2ka9 h ALA 72 Ca 0.37 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2ka9 h ALA 72 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ka9 h ALA 72 CO -0.22 0.39 -0.59 0.00 0.00 0.00 0.00 179.25 178.83 2ka9 h ALA 73 N 1.57 0.41 -0.40 0.00 0.00 -0.28 -1.54 119.26 119.03 2ka9 h ALA 73 Ca 0.12 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 73 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2ka9 h ALA 73 CO -0.00 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.17 2ka9 h VAL 74 N 0.60 1.22 -0.15 0.00 2.07 -0.22 -1.43 116.25 118.34 2ka9 h VAL 74 Ca -0.00 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 2ka9 h VAL 74 Cb 1.20 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2ka9 h VAL 74 CO 0.13 0.31 -0.43 -0.33 0.02 0.00 0.00 177.57 177.27 2ka9 h GLU 75 N 0.61 0.36 -0.27 1.57 4.39 -0.58 0.46 114.58 121.11 2ka9 h GLU 75 Ca 0.12 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2ka9 h GLU 75 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2ka9 h GLU 75 CO 0.01 0.73 -0.23 0.00 -1.16 0.00 0.00 179.01 178.36 2ka9 h ALA 76 N 1.25 0.39 0.00 3.43 0.00 -0.65 0.13 119.26 123.82 2ka9 h ALA 76 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 76 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ka9 h ALA 76 CO 0.07 0.35 -0.56 1.37 0.00 0.00 0.00 179.25 180.49 2ka9 h LEU 77 N 0.36 0.00 -0.47 0.00 8.10 -1.21 -1.54 115.31 120.55 2ka9 h LEU 77 Ca 0.05 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.88 2ka9 h LEU 77 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 2ka9 h LEU 77 CO 0.06 0.56 -0.42 0.50 -4.11 0.00 0.00 178.44 175.03 2ka9 h LYS 78 N 0.00 0.81 -0.74 0.17 3.64 0.11 -2.85 116.57 117.70 2ka9 h LYS 78 Ca -0.01 -0.43 -0.32 0.00 -1.27 0.00 0.00 60.65 58.62 2ka9 h LYS 78 Cb 1.26 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.91 2ka9 h LYS 78 CO 0.07 1.07 0.34 0.39 -2.27 0.00 0.00 179.45 179.05 2ka9 n GLU 79 N -4.04 2.74 0.08 1.90 1.02 0.02 -4.36 120.64 118.00 2ka9 n GLU 79 Ca -0.02 -3.07 0.02 0.00 -0.02 0.00 0.00 57.16 54.07 2ka9 n GLU 79 Cb 0.55 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka9 h ALA 80 N 1.64 0.65 0.00 0.62 0.00 -1.03 -3.49 119.26 117.66 2ka9 h ALA 80 Ca 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ka9 h ALA 80 Cb 2.37 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.29 2ka9 h ALA 80 CO 0.79 0.75 0.00 0.41 0.00 0.00 0.00 179.25 181.20 2ka9 n GLY 81 N 1.32 -0.71 1.31 0.00 0.00 -1.26 -4.03 105.19 101.82 2ka9 n GLY 81 Ca -0.05 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.81 2ka9 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ka9 n SER 82 N 0.61 4.00 -3.33 1.61 3.41 -1.26 -4.64 113.62 114.03 2ka9 n SER 82 Ca 0.00 -2.10 -0.13 0.00 -0.26 0.00 0.00 58.87 56.38 2ka9 n SER 82 Cb 0.00 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 83 N -1.20 -0.50 0.31 -1.33 1.01 -1.26 0.73 121.20 118.97 2ka9 s ILE 83 Ca 0.46 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2ka9 s ILE 83 Cb 0.26 -0.66 -0.09 0.00 0.01 0.00 0.00 42.46 41.98 2ka9 s ILE 83 CO 0.29 -0.43 0.75 -0.69 0.00 0.00 0.00 174.94 174.87 2ka9 s VAL 84 N 1.78 4.63 -0.41 2.92 1.01 -1.01 -4.90 120.40 124.43 2ka9 s VAL 84 Ca 0.15 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.21 2ka9 s VAL 84 Cb -0.13 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.75 2ka9 s VAL 84 CO -0.12 -0.13 0.30 -0.13 0.00 0.00 0.00 175.10 175.03 2ka9 s ARG 85 N -2.82 0.89 0.18 2.72 1.81 -1.26 -1.81 118.95 118.66 2ka9 s ARG 85 Ca 0.53 -1.90 0.09 0.00 -1.72 0.00 0.00 55.73 52.73 2ka9 s ARG 85 Cb -0.11 -1.55 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 2ka9 s ARG 85 CO 0.18 -1.31 -0.13 -0.48 -0.68 0.00 0.00 175.30 172.88 2ka9 s LEU 86 N 0.34 2.85 -0.32 2.53 0.05 -0.70 0.11 118.68 123.55 2ka9 s LEU 86 Ca 0.26 -0.63 -0.09 0.00 0.05 0.00 0.00 54.13 53.72 2ka9 s LEU 86 Cb -0.08 -1.56 -0.00 0.00 -2.05 0.00 0.00 46.19 42.51 2ka9 s LEU 86 CO -0.11 0.11 0.15 -0.31 -0.55 0.00 0.00 176.35 175.64 2ka9 s TYR 87 N -1.65 3.18 0.38 3.48 2.02 0.43 -0.62 117.35 124.57 2ka9 s TYR 87 Ca 0.24 -0.67 0.08 0.00 -0.37 0.00 0.00 57.07 56.34 2ka9 s TYR 87 Cb -0.09 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 2ka9 s TYR 87 CO 0.14 -0.49 0.36 0.14 -1.57 0.00 0.00 175.55 174.13 2ka9 s VAL 88 N 1.59 3.08 -0.21 0.71 -7.23 -0.46 0.40 120.40 118.28 2ka9 s VAL 88 Ca 0.04 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2ka9 s VAL 88 Cb -0.17 -3.09 0.06 0.00 0.56 0.00 0.00 36.38 33.74 2ka9 s VAL 88 CO 0.06 -0.07 0.01 -0.32 -0.31 0.00 0.00 175.10 174.47 2ka9 s MET 89 N -4.10 0.96 0.08 4.82 1.75 -0.67 -1.20 119.30 120.94 2ka9 s MET 89 Ca 0.46 -0.64 0.10 0.00 -1.25 0.00 0.00 55.69 54.36 2ka9 s MET 89 Cb -0.05 -2.26 -0.03 0.00 2.84 0.00 0.00 34.83 35.33 2ka9 s MET 89 CO 0.28 -0.65 -0.26 0.50 -0.65 0.00 0.00 175.02 174.24 2ka9 s ARG 90 N 1.70 1.63 0.97 4.11 3.52 0.17 -2.01 118.95 129.04 2ka9 s ARG 90 Ca -0.02 -1.20 -0.13 0.00 -0.13 0.00 0.00 55.73 54.25 2ka9 s ARG 90 Cb -0.18 -1.93 0.05 0.00 -1.56 0.00 0.00 34.95 31.33 2ka9 s ARG 90 CO -0.08 0.48 0.38 0.54 -0.81 0.00 0.00 175.30 175.81 2ka9 n ARG 91 N 1.45 -0.43 -1.57 5.12 1.74 -1.26 0.13 116.66 121.84 2ka9 n ARG 91 Ca -0.17 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.52 2ka9 n ARG 91 Cb 0.52 -1.85 0.09 0.00 -1.02 0.00 0.00 32.46 30.20 2ka9 n ARG 91 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2ka9 s LYS 92 N -3.63 2.18 1.20 5.56 0.00 -1.26 -4.31 119.74 119.47 2ka9 s LYS 92 Ca 0.57 0.65 -0.15 0.00 0.00 0.00 0.00 55.97 57.04 2ka9 s LYS 92 Cb -0.20 -1.93 0.29 0.00 0.00 0.00 0.00 37.83 35.99 2ka9 s LYS 92 CO 0.67 -1.56 1.02 -2.14 0.00 0.00 0.00 175.35 173.34 2ka9 s PRO 93 N -5.16 -1.22 0.00 1.78 0.02 -1.26 -5.00 135.00 124.16 2ka9 s PRO 93 Ca 0.60 0.58 0.00 0.00 0.02 0.00 0.00 61.00 62.20 2ka9 s PRO 93 Cb -0.14 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2ka9 s PRO 93 CO 0.54 -3.86 0.00 -2.30 -0.33 0.00 0.00 177.00 171.05 2ka9 n PRO 94 N -4.97 2.27 -1.61 5.54 -0.02 -1.26 -4.89 135.00 130.05 2ka9 n PRO 94 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2ka9 n PRO 94 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 -0.15 -1.00 3.55 0.00 -1.26 -4.81 120.51 113.83 2ka9 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ka9 n ALA 95 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2ka9 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ka9 n GLU 96 N -1.04 0.99 -3.64 0.00 -0.58 -1.26 -4.83 120.64 110.28 2ka9 n GLU 96 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2ka9 n GLU 96 Cb 0.44 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.33 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2ka9 n LYS 97 N -0.01 0.62 -2.83 3.49 -0.00 -1.26 -4.75 118.16 113.43 2ka9 n LYS 97 Ca 0.00 -1.40 -0.42 0.00 -0.00 0.00 0.00 58.31 56.50 2ka9 n LYS 97 Cb 0.00 1.88 -0.04 0.00 -0.00 0.00 0.00 35.03 36.87 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2ka9 s VAL 98 N -2.11 4.87 0.32 0.58 1.01 -1.26 -2.69 120.40 121.11 2ka9 s VAL 98 Ca 0.20 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.02 2ka9 s VAL 98 Cb -0.03 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2ka9 s VAL 98 CO 0.05 0.06 0.39 -0.04 0.00 0.00 0.00 175.10 175.56 2ka9 s MET 99 N 1.86 3.04 -0.25 2.72 1.00 0.25 -4.98 119.30 122.94 2ka9 s MET 99 Ca 0.42 -1.06 0.00 0.00 0.00 0.00 0.00 55.69 55.05 2ka9 s MET 99 Cb -0.18 -2.71 0.07 0.00 0.00 0.00 0.00 34.83 32.01 2ka9 s MET 99 CO 0.16 0.14 0.01 -1.21 0.00 0.00 0.00 175.02 174.12 2ka9 s GLU 100 N -4.07 1.24 0.21 2.03 8.01 -1.26 -1.68 118.70 123.17 2ka9 s GLU 100 Ca 0.42 -1.00 0.10 0.00 0.01 0.00 0.00 54.97 54.49 2ka9 s GLU 100 Cb -0.08 -2.44 -0.04 0.00 -4.31 0.00 0.00 34.13 27.25 2ka9 s GLU 100 CO 0.29 -0.73 -0.12 0.42 0.01 0.00 0.00 175.26 175.14 2ka9 s ILE 101 N 1.47 2.99 -0.21 -1.63 -1.09 -0.49 -4.99 121.20 117.27 2ka9 s ILE 101 Ca 0.00 -1.85 -0.01 0.00 -2.23 0.00 0.00 60.65 56.56 2ka9 s ILE 101 Cb -0.18 -2.50 0.02 0.00 -1.58 0.00 0.00 42.46 38.21 2ka9 s ILE 101 CO -0.11 -0.18 -0.13 -0.75 -1.23 0.00 0.00 174.94 172.54 2ka9 s LYS 102 N -3.01 3.02 -0.21 2.79 2.20 -1.26 0.66 119.74 123.93 2ka9 s LYS 102 Ca 0.26 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2ka9 s LYS 102 Cb -0.08 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2ka9 s LYS 102 CO 0.15 -0.26 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.61 2ka9 s LEU 103 N 1.33 2.70 -0.01 5.43 0.20 0.14 -3.47 118.68 125.00 2ka9 s LEU 103 Ca 0.04 -0.61 -0.05 0.00 0.69 0.00 0.00 54.13 54.19 2ka9 s LEU 103 Cb -0.14 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2ka9 s LEU 103 CO -0.09 -0.04 0.23 0.27 -0.29 0.00 0.00 176.35 176.44 2ka9 s ILE 104 N 1.37 5.36 0.73 6.68 -4.36 -1.26 -1.41 121.20 128.31 2ka9 s ILE 104 Ca 0.04 0.08 -0.11 0.00 -0.26 0.00 0.00 60.65 60.40 2ka9 s ILE 104 Cb -0.14 -3.55 0.03 0.00 1.25 0.00 0.00 42.46 40.05 2ka9 s ILE 104 CO -0.07 0.37 1.07 -0.75 0.24 0.00 0.00 174.94 175.80 2ka9 s LYS 105 N -1.76 2.68 0.00 0.37 2.20 0.23 -4.35 119.74 119.12 2ka9 s LYS 105 Ca 0.26 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 2ka9 s LYS 105 Cb -0.13 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 2ka9 s LYS 105 CO 0.16 -1.27 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 2ka9 n GLY 106 N -1.96 4.38 0.22 5.54 0.00 0.36 -4.94 105.19 108.79 2ka9 n GLY 106 Ca 0.07 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 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 0.78 -0.73 1.61 0.13 -1.98 -3.06 132.00 128.74 2ka9 h PRO 107 Ca 0.00 -0.68 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 2ka9 h PRO 107 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 2ka9 h PRO 107 CO 0.00 1.28 0.03 1.63 -0.23 0.00 0.00 178.00 180.71 2ka9 n LYS 108 N -3.92 3.61 0.00 0.86 5.02 -1.26 -5.02 118.16 117.45 2ka9 n LYS 108 Ca -0.08 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 2ka9 n LYS 108 Cb 0.78 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka9 n GLY 109 N 0.37 0.62 0.14 0.72 0.00 -1.16 -4.39 105.19 101.49 2ka9 n GLY 109 Ca 0.21 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.98 0.99 4.07 -1.89 1.06 115.31 117.56 2ka9 h LEU 110 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2ka9 h LEU 110 Cb 0.00 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.78 2ka9 h LEU 110 CO 0.00 0.13 -0.20 0.61 -1.08 0.00 0.00 178.44 177.90 2ka9 n GLY 111 N 1.20 0.25 3.63 0.83 0.00 -1.26 -3.90 105.19 105.93 2ka9 n GLY 111 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.09 -0.12 -0.28 1.61 -0.71 -1.26 -3.30 117.98 110.83 2ka9 s PHE 112 Ca 0.01 0.22 -0.07 0.00 -1.04 0.00 0.00 56.93 56.05 2ka9 s PHE 112 Cb -0.00 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 2ka9 s PHE 112 CO 0.19 -0.10 0.09 0.45 -1.34 0.00 0.00 175.22 174.51 2ka9 s SER 113 N -0.81 5.17 0.46 1.98 0.15 0.52 -4.97 113.70 116.19 2ka9 s SER 113 Ca 0.06 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.27 2ka9 s SER 113 Cb -0.02 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 2ka9 s SER 113 CO -0.07 -0.13 0.16 0.27 1.20 0.00 0.00 173.24 174.66 2ka9 s ILE 114 N 1.56 1.87 0.40 6.45 -4.36 -1.26 -0.10 121.20 125.76 2ka9 s ILE 114 Ca 0.04 -1.77 0.06 0.00 -0.26 0.00 0.00 60.65 58.72 2ka9 s ILE 114 Cb -0.16 -2.64 0.07 0.00 1.25 0.00 0.00 42.46 40.98 2ka9 s ILE 114 CO 0.03 0.00 0.56 0.00 0.24 0.00 0.00 174.94 175.77 2ka9 n ALA 115 N -1.31 0.76 -3.06 2.27 0.00 0.61 -4.88 120.51 114.90 2ka9 n ALA 115 Ca -0.06 -1.41 -0.11 0.00 0.00 0.00 0.00 53.44 51.87 2ka9 n ALA 115 Cb 0.65 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 20.37 2ka9 n ALA 115 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ka9 s GLY 116 N -3.83 0.09 0.00 0.00 0.00 -0.72 -4.62 107.32 98.25 2ka9 s GLY 116 Ca 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2ka9 s GLY 116 CO 0.27 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.63 2ka9 n GLY 117 N 1.62 -0.86 3.85 0.20 0.00 -1.19 -2.28 105.19 106.54 2ka9 n GLY 117 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2ka9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka9 s VAL 118 N 0.00 4.74 0.00 1.61 1.01 -1.26 -2.67 120.40 123.82 2ka9 s VAL 118 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2ka9 s VAL 118 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2ka9 s VAL 118 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2ka9 n GLY 119 N -0.03 3.27 2.68 4.51 0.00 -1.26 0.11 105.19 114.47 2ka9 n GLY 119 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.04 -1.48 0.33 1.61 3.02 -1.25 -4.90 115.26 112.63 2ka9 n ASN 120 Ca 0.00 -1.96 0.22 0.00 -0.03 0.00 0.00 54.58 52.81 2ka9 n ASN 120 Cb 0.00 0.86 1.20 0.00 -0.61 0.00 0.00 39.78 41.23 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2ka9 h GLN 121 N 3.21 0.00 0.00 3.52 3.07 -1.23 -1.90 115.11 121.78 2ka9 h GLN 121 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2ka9 h GLN 121 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2ka9 h GLN 121 CO -0.13 0.00 0.00 1.58 0.09 0.00 0.00 178.83 180.37 2ka9 n HIS 122 N -3.05 0.00 -3.51 0.06 -0.00 -1.26 -4.59 115.22 102.87 2ka9 n HIS 122 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.32 2ka9 n HIS 122 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 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 5.03 -0.82 3.57 1.01 -1.26 -4.96 121.20 123.77 2ka9 s ILE 123 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 2ka9 s ILE 123 Cb 0.00 -3.70 -0.18 0.00 0.01 0.00 0.00 42.46 38.59 2ka9 s ILE 123 CO 0.00 0.52 2.02 -2.65 0.00 0.00 0.00 174.94 174.82 2ka9 n PRO 124 N 1.62 0.19 -1.50 2.79 -0.02 -1.26 -2.53 135.00 134.28 2ka9 n PRO 124 Ca -0.13 -1.03 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 2ka9 n PRO 124 Cb 0.52 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 5.99 0.66 3.19 -1.23 0.00 -1.26 -5.08 105.19 107.46 2ka9 n GLY 125 Ca 0.38 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2ka9 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka9 s ASP 126 N -2.79 -1.55 0.64 1.61 2.15 -1.05 -5.00 116.67 110.67 2ka9 s ASP 126 Ca 0.00 -0.47 0.33 0.00 0.43 0.00 0.00 52.55 52.84 2ka9 s ASP 126 Cb 0.00 1.98 1.82 0.00 -0.30 0.00 0.00 42.92 46.42 2ka9 s ASP 126 CO 0.00 -0.21 2.09 0.78 -0.17 0.00 0.00 175.17 177.65 2ka9 h ASN 127 N 7.32 0.00 -2.06 -0.34 2.35 -1.83 -3.40 115.58 117.62 2ka9 h ASN 127 Ca 0.03 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.17 2ka9 h ASN 127 Cb 1.18 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.58 2ka9 h ASN 127 CO 0.12 0.00 1.00 -1.54 -1.65 0.00 0.00 177.43 175.36 2ka9 n SER 128 N -3.30 3.27 -4.65 5.81 3.41 -1.26 -3.13 113.62 113.76 2ka9 n SER 128 Ca -0.00 1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 59.19 2ka9 n SER 128 Cb 0.31 -1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 62.86 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 129 N 3.16 3.96 0.17 -1.33 1.01 -1.24 -4.85 121.20 122.08 2ka9 s ILE 129 Ca 0.89 1.13 0.08 0.00 0.00 0.00 0.00 60.65 62.75 2ka9 s ILE 129 Cb -0.71 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2ka9 s ILE 129 CO 0.49 -0.22 -0.04 -0.31 0.00 0.00 0.00 174.94 174.86 2ka9 s TYR 130 N 4.21 2.78 -0.04 3.97 1.51 -1.26 -0.52 117.35 128.00 2ka9 s TYR 130 Ca 0.63 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 56.35 2ka9 s TYR 130 Cb -0.24 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2ka9 s TYR 130 CO 0.23 0.51 0.50 0.08 -1.11 0.00 0.00 175.55 175.76 2ka9 s VAL 131 N -1.65 5.03 -0.06 0.71 1.01 0.20 -0.28 120.40 125.34 2ka9 s VAL 131 Ca 0.26 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 2ka9 s VAL 131 Cb -0.09 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2ka9 s VAL 131 CO 0.17 0.43 -0.07 1.07 0.00 0.00 0.00 175.10 176.70 2ka9 n THR 132 N 2.78 0.36 -5.09 3.92 5.66 0.86 -1.72 114.28 121.04 2ka9 n THR 132 Ca -0.09 -0.11 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 2ka9 n THR 132 Cb 0.51 -1.18 -0.17 0.00 -1.55 0.00 0.00 70.33 67.94 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2ka9 s LYS 133 N -2.12 2.51 -0.03 1.09 2.20 -0.94 -4.78 119.74 117.67 2ka9 s LYS 133 Ca -0.09 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2ka9 s LYS 133 Cb 0.03 -2.02 0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2ka9 s LYS 133 CO 0.13 0.24 -0.00 0.42 -0.36 0.00 0.00 175.35 175.77 2ka9 s ILE 134 N 0.17 0.21 0.99 5.43 1.01 -1.26 0.20 121.20 127.94 2ka9 s ILE 134 Ca -0.11 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 2ka9 s ILE 134 Cb -0.15 -0.31 0.18 0.00 0.01 0.00 0.00 42.46 42.19 2ka9 s ILE 134 CO 0.06 0.16 1.17 -0.63 0.00 0.00 0.00 174.94 175.69 2ka9 s ILE 135 N 1.13 1.92 0.09 2.92 1.01 -1.21 -5.03 121.20 122.03 2ka9 s ILE 135 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2ka9 s ILE 135 Cb -0.13 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2ka9 s ILE 135 CO -0.02 0.00 0.47 -0.70 0.00 0.00 0.00 174.94 174.69 2ka9 s GLU 136 N -5.42 3.89 -1.18 2.79 2.56 -1.26 -4.10 118.70 115.98 2ka9 s GLU 136 Ca 0.67 0.36 0.00 0.00 0.00 0.00 0.00 54.97 56.00 2ka9 s GLU 136 Cb -0.12 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2ka9 s GLU 136 CO 0.54 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 176.20 2ka9 n GLY 137 N 1.05 0.28 0.00 -1.50 0.00 -1.26 -4.93 105.19 98.83 2ka9 n GLY 137 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.54 -1.41 0.03 -0.02 0.00 -1.26 -4.83 105.19 97.16 2ka9 n GLY 138 Ca -0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 0.00 -0.07 4.61 0.00 -1.84 -3.30 119.26 116.66 2ka9 h ALA 139 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2ka9 h ALA 139 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ka9 h ALA 139 CO 0.00 0.08 -0.49 0.00 0.00 0.00 0.00 179.25 178.84 2ka9 h ALA 140 N -1.53 1.05 0.39 0.00 0.00 -1.76 -0.16 119.26 117.26 2ka9 h ALA 140 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 140 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ka9 h ALA 140 CO 0.00 0.64 -0.43 1.25 0.00 0.00 0.00 179.25 180.72 2ka9 h HIS 141 N 0.14 -1.17 -0.05 0.00 6.17 -1.86 1.80 115.15 120.18 2ka9 h HIS 141 Ca 0.00 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.04 2ka9 h HIS 141 Cb 0.92 0.46 0.00 0.00 2.52 0.00 0.00 27.41 31.31 2ka9 h HIS 141 CO 0.01 -0.58 -0.18 -0.22 0.71 0.00 0.00 177.93 177.68 2ka9 h LYS 142 N -0.85 0.21 0.00 5.26 3.64 -1.63 -2.37 116.57 120.83 2ka9 h LYS 142 Ca -0.03 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2ka9 h LYS 142 Cb 0.76 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2ka9 h LYS 142 CO -0.08 0.79 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.41 2ka9 h ASP 143 N -0.33 0.00 -0.52 4.20 3.32 -1.01 -3.37 116.42 118.71 2ka9 h ASP 143 Ca -0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ka9 h ASP 143 Cb 0.81 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2ka9 h ASP 143 CO 0.04 0.55 0.29 1.23 -1.72 0.00 0.00 179.24 179.62 2ka9 h GLY 144 N -1.00 0.81 -0.97 2.75 0.00 0.22 -3.45 103.07 101.42 2ka9 h GLY 144 Ca -0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 47.33 46.57 2ka9 h GLY 144 CO -0.00 0.34 -0.37 0.54 0.00 0.00 0.00 176.54 177.05 2ka9 n ARG 145 N -4.39 -1.38 -3.21 4.80 1.74 0.33 -4.82 116.66 109.72 2ka9 n ARG 145 Ca 0.05 1.20 -0.45 0.00 -0.77 0.00 0.00 57.85 57.88 2ka9 n ARG 145 Cb 0.10 -5.54 -0.00 0.00 -1.02 0.00 0.00 32.46 26.00 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2ka9 s LEU 146 N -4.53 5.97 1.26 0.55 2.34 -1.25 -5.03 118.68 117.98 2ka9 s LEU 146 Ca 0.00 -3.31 -0.19 0.00 0.06 0.00 0.00 54.13 50.69 2ka9 s LEU 146 Cb 0.00 -2.27 0.31 0.00 -0.56 0.00 0.00 46.19 43.67 2ka9 s LEU 146 CO 0.00 -0.46 1.03 0.00 -1.06 0.00 0.00 176.35 175.86 2ka9 s GLN 147 N -0.22 -1.68 0.06 1.48 -2.07 -1.26 -4.69 119.66 111.28 2ka9 s GLN 147 Ca 0.33 0.17 -0.37 0.00 -1.82 0.00 0.00 55.36 53.67 2ka9 s GLN 147 Cb -0.08 -1.52 -0.17 0.00 -1.09 0.00 0.00 33.01 30.15 2ka9 s GLN 147 CO -0.06 -4.06 1.35 -0.89 -1.32 0.00 0.00 175.29 170.31 2ka9 n ILE 148 N -5.05 0.02 0.00 3.63 5.41 -1.26 -2.09 119.36 120.01 2ka9 n ILE 148 Ca 0.11 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2ka9 n ILE 148 Cb 0.59 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 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 2.57 1.69 3.74 7.39 0.00 -0.70 -5.02 105.19 114.84 2ka9 n GLY 149 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.23 6.57 -0.09 1.61 1.11 -0.89 -4.61 116.67 119.15 2ka9 s ASP 150 Ca 0.00 2.71 0.03 0.00 0.18 0.00 0.00 52.55 55.48 2ka9 s ASP 150 Cb 0.00 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.38 2ka9 s ASP 150 CO 0.00 -0.79 -0.20 -1.59 1.18 0.00 0.00 175.17 173.77 2ka9 s LYS 151 N 0.09 2.59 -0.12 8.23 0.00 -1.25 0.60 119.74 129.88 2ka9 s LYS 151 Ca 0.64 -0.73 -0.05 0.00 0.00 0.00 0.00 55.97 55.84 2ka9 s LYS 151 Cb -0.44 -2.00 -0.04 0.00 0.00 0.00 0.00 37.83 35.36 2ka9 s LYS 151 CO 0.40 0.13 0.05 0.42 0.00 0.00 0.00 175.35 176.35 2ka9 s ILE 152 N 0.44 4.70 -2.42 3.79 1.09 0.33 -0.91 121.20 128.22 2ka9 s ILE 152 Ca -0.17 -0.09 0.24 0.00 -1.10 0.00 0.00 60.65 59.53 2ka9 s ILE 152 Cb -0.17 -3.04 0.11 0.00 -1.06 0.00 0.00 42.46 38.30 2ka9 s ILE 152 CO 0.07 0.57 1.22 0.00 -0.10 0.00 0.00 174.94 176.70 2ka9 n LEU 153 N 2.51 2.32 0.00 2.97 -0.00 0.21 -3.64 117.00 121.37 2ka9 n LEU 153 Ca -0.18 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 2ka9 n LEU 153 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2ka9 n LEU 153 CO 0.31 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 178.11 2ka9 n ALA 154 N 0.48 0.00 -3.36 1.47 0.00 -1.24 -4.32 120.51 113.54 2ka9 n ALA 154 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.11 2ka9 n ALA 154 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.78 5.02 0.00 0.00 1.01 -1.24 0.20 120.40 123.62 2ka9 s VAL 155 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.39 2ka9 s VAL 155 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2ka9 s VAL 155 CO 0.00 -0.86 0.00 0.59 0.00 0.00 0.00 175.10 174.83 2ka9 n ASN 156 N 5.14 0.00 -0.71 3.32 3.02 0.28 -1.52 115.26 124.80 2ka9 n ASN 156 Ca -0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.40 2ka9 n ASN 156 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 157 N 1.83 -0.48 -4.91 6.41 3.41 -1.26 -4.98 113.62 113.63 2ka9 n SER 157 Ca 0.00 -1.33 -0.28 0.00 -0.26 0.00 0.00 58.87 57.00 2ka9 n SER 157 Cb 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ka9 s VAL 158 N 0.00 5.00 -1.11 -3.33 1.01 -0.58 -5.02 120.40 116.38 2ka9 s VAL 158 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2ka9 s VAL 158 Cb 0.00 -3.77 0.29 0.00 0.00 0.00 0.00 36.38 32.90 2ka9 s VAL 158 CO 0.00 -0.43 1.36 0.61 0.00 0.00 0.00 175.10 176.65 2ka9 n GLY 159 N -1.22 4.76 0.70 4.51 0.00 -1.26 -3.64 105.19 109.04 2ka9 n GLY 159 Ca -0.02 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.41 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 160 N 2.04 0.97 -2.66 0.99 4.77 -1.26 -3.14 117.00 118.70 2ka9 n LEU 160 Ca 0.26 -0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 55.72 2ka9 n LEU 160 Cb 0.36 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2ka9 n LEU 160 CO 0.63 0.19 0.69 -1.84 -1.33 0.00 0.00 177.39 175.73 2ka9 n GLU 161 N 0.44 0.20 -0.86 3.23 0.28 -1.26 -3.92 120.64 118.75 2ka9 n GLU 161 Ca 0.00 -0.76 -0.05 0.00 -0.16 0.00 0.00 57.16 56.19 2ka9 n GLU 161 Cb 0.19 -0.13 -0.05 0.00 1.43 0.00 0.00 31.44 32.88 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ka9 n ASP 162 N 0.14 -0.73 0.00 -1.84 5.68 -1.19 -4.97 116.55 113.65 2ka9 n ASP 162 Ca -0.13 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2ka9 n ASP 162 Cb 0.72 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2ka9 n VAL 163 N 0.00 0.00 0.00 2.12 0.31 -1.26 -5.08 118.33 114.42 2ka9 n VAL 163 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2ka9 n VAL 163 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 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 -1.53 0.00 -0.04 5.55 2.81 -1.26 -4.63 117.12 118.02 2ka9 n MET 164 Ca 0.00 0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 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 0.00 -0.07 2.03 2.07 0.55 0.24 115.15 119.96 2ka9 h HIS 165 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 2ka9 h HIS 165 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 2ka9 h HIS 165 CO 0.00 0.00 -0.37 1.49 -3.07 0.00 0.00 177.93 175.98 2ka9 h GLU 166 N 0.00 0.37 -0.10 5.12 4.22 -1.94 -0.66 114.58 121.59 2ka9 h GLU 166 Ca 0.29 -0.30 -0.19 0.00 0.08 0.00 0.00 59.36 59.24 2ka9 h GLU 166 Cb 1.17 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ka9 h GLU 166 CO -0.00 0.95 -0.72 -0.44 -2.18 0.00 0.00 179.01 176.62 2ka9 h ASP 167 N -0.12 0.54 0.02 1.04 5.19 -1.61 0.46 116.42 121.95 2ka9 h ASP 167 Ca -0.03 -0.35 -0.14 0.00 -0.62 0.00 0.00 57.03 55.89 2ka9 h ASP 167 Cb 1.02 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2ka9 h ASP 167 CO 0.08 1.09 -0.47 0.00 -3.12 0.00 0.00 179.24 176.81 2ka9 h ALA 168 N 0.90 0.80 -0.12 3.45 0.00 -0.66 0.10 119.26 123.74 2ka9 h ALA 168 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 2ka9 h ALA 168 Cb 1.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ka9 h ALA 168 CO 0.13 0.66 -0.84 0.28 0.00 0.00 0.00 179.25 179.48 2ka9 h VAL 169 N 0.42 1.28 -0.06 0.00 2.07 -1.01 -1.33 116.25 117.62 2ka9 h VAL 169 Ca 0.02 -2.03 -0.13 0.00 0.82 0.00 0.00 66.70 65.38 2ka9 h VAL 169 Cb 0.99 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 2ka9 h VAL 169 CO 0.09 0.64 -0.55 0.00 0.02 0.00 0.00 177.57 177.77 2ka9 h ALA 170 N 0.52 0.97 0.00 1.67 0.00 -0.82 -0.26 119.26 121.34 2ka9 h ALA 170 Ca -0.07 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 2ka9 h ALA 170 Cb 1.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2ka9 h ALA 170 CO 0.17 0.69 -0.75 0.00 0.00 0.00 0.00 179.25 179.36 2ka9 h ALA 171 N 1.31 0.59 0.17 0.00 0.00 -0.77 -0.55 119.26 120.01 2ka9 h ALA 171 Ca -0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 54.91 53.92 2ka9 h ALA 171 Cb 1.01 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2ka9 h ALA 171 CO 0.08 0.94 -1.38 1.37 0.00 0.00 0.00 179.25 180.26 2ka9 h LEU 172 N 0.00 0.56 -0.67 0.00 8.10 -1.09 -3.11 115.31 119.10 2ka9 h LEU 172 Ca -0.01 -0.63 -0.10 0.00 0.11 0.00 0.00 57.88 57.25 2ka9 h LEU 172 Cb 1.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.50 2ka9 h LEU 172 CO 0.10 1.50 -0.49 0.50 -4.11 0.00 0.00 178.44 175.94 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 1.63 -1.07 -2.78 116.57 114.62 2ka9 h LYS 173 Ca -0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 2ka9 h LYS 173 Cb 2.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.68 2ka9 h LYS 173 CO 0.22 0.49 0.00 0.09 -3.45 0.00 0.00 179.45 176.80 2ka9 n ASN 174 N -3.51 0.45 -3.09 4.20 3.02 -0.22 -4.84 115.26 111.28 2ka9 n ASN 174 Ca 0.00 0.57 -0.06 0.00 -0.03 0.00 0.00 54.58 55.05 2ka9 n ASN 174 Cb 0.60 -0.68 0.06 0.00 -0.61 0.00 0.00 39.78 39.15 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ka9 n THR 175 N -1.95 0.00 -3.63 3.41 -2.24 -1.05 -5.04 114.28 103.78 2ka9 n THR 175 Ca 0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 2ka9 n THR 175 Cb 0.32 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.12 2.67 0.23 4.78 5.04 -1.26 -4.99 117.35 122.70 2ka9 s TYR 176 Ca 0.14 -0.51 0.24 0.00 -2.44 0.00 0.00 57.07 54.50 2ka9 s TYR 176 Cb -0.02 -2.15 1.32 0.00 0.35 0.00 0.00 41.96 41.46 2ka9 s TYR 176 CO 0.12 -0.10 1.71 -0.44 -1.34 0.00 0.00 175.55 175.49 2ka9 h ASP 177 N 1.06 0.00 -1.99 4.32 3.32 -1.92 -3.32 116.42 117.89 2ka9 h ASP 177 Ca -0.41 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.28 2ka9 h ASP 177 Cb 1.27 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.50 2ka9 h ASP 177 CO 0.59 0.00 -0.67 -0.69 -1.72 0.00 0.00 179.24 176.74 2ka9 s VAL 178 N -3.71 -0.35 0.10 -1.35 1.01 -1.26 0.76 120.40 115.60 2ka9 s VAL 178 Ca -0.03 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.17 2ka9 s VAL 178 Cb 0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2ka9 s VAL 178 CO 0.22 -0.56 -0.22 0.68 0.00 0.00 0.00 175.10 175.22 2ka9 s VAL 179 N 1.66 2.56 -0.13 2.92 -7.23 -0.50 -4.95 120.40 114.72 2ka9 s VAL 179 Ca 0.15 -1.52 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 2ka9 s VAL 179 Cb -0.15 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2ka9 s VAL 179 CO -0.10 0.17 0.35 -0.47 -0.31 0.00 0.00 175.10 174.74 2ka9 s TYR 180 N -1.03 3.50 0.08 2.82 6.14 -1.26 0.24 117.35 127.84 2ka9 s TYR 180 Ca 0.15 0.71 0.09 0.00 0.64 0.00 0.00 57.07 58.66 2ka9 s TYR 180 Cb -0.10 -2.39 -0.03 0.00 0.42 0.00 0.00 41.96 39.86 2ka9 s TYR 180 CO 0.07 0.27 -0.23 -0.51 0.64 0.00 0.00 175.55 175.79 2ka9 s LEU 181 N 0.34 2.41 -0.45 6.97 1.02 0.21 0.10 118.68 129.28 2ka9 s LEU 181 Ca 0.20 -0.58 -0.18 0.00 0.02 0.00 0.00 54.13 53.59 2ka9 s LEU 181 Cb -0.14 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.74 2ka9 s LEU 181 CO 0.06 0.22 0.50 -0.54 0.02 0.00 0.00 176.35 176.62 2ka9 s LYS 182 N -1.66 3.10 0.20 1.70 3.01 0.13 -1.39 119.74 124.83 2ka9 s LYS 182 Ca 0.14 -0.85 0.05 0.00 -1.01 0.00 0.00 55.97 54.30 2ka9 s LYS 182 Cb -0.10 -4.03 -0.03 0.00 -1.01 0.00 0.00 37.83 32.66 2ka9 s LYS 182 CO 0.05 -0.99 0.25 0.08 0.51 0.00 0.00 175.35 175.25 2ka9 s VAL 183 N 2.25 4.90 0.03 3.17 1.01 -0.68 -0.62 120.40 130.47 2ka9 s VAL 183 Ca 0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2ka9 s VAL 183 Cb -0.18 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ka9 s VAL 183 CO 0.13 -0.22 0.03 0.00 0.00 0.00 0.00 175.10 175.03 2ka9 s ALA 184 N -1.91 0.10 0.01 5.51 0.00 -0.09 0.85 121.76 126.24 2ka9 s ALA 184 Ca 0.33 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.69 2ka9 s ALA 184 Cb -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2ka9 s ALA 184 CO 0.27 -0.26 -0.21 0.15 0.00 0.00 0.00 175.76 175.70 2ka9 s LYS 185 N -2.38 1.62 -0.57 0.00 -0.14 -1.10 -3.94 119.74 113.23 2ka9 s LYS 185 Ca -0.07 -0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 53.43 2ka9 s LYS 185 Cb -0.03 -1.64 -0.09 0.00 -1.68 0.00 0.00 37.83 34.40 2ka9 s LYS 185 CO -0.04 0.44 2.40 -1.25 -0.76 0.00 0.00 175.35 176.13 2ka9 s PRO 186 N -0.78 1.98 0.54 -1.68 0.04 -1.26 -4.18 135.00 129.67 2ka9 s PRO 186 Ca 0.08 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.07 2ka9 s PRO 186 Cb -0.09 -4.63 -0.05 0.00 0.04 0.00 0.00 34.50 29.77 2ka9 s PRO 186 CO 0.00 -3.57 1.17 -1.12 0.04 0.00 0.00 177.00 173.52 2ka9 s SER 187 N 11.78 5.62 -0.58 6.66 0.01 -1.26 -2.83 113.70 133.10 2ka9 s SER 187 Ca 0.95 2.30 -0.00 0.00 1.31 0.00 0.00 55.95 60.52 2ka9 s SER 187 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2ka9 s SER 187 CO 0.21 -1.29 0.00 0.59 0.41 0.00 0.00 173.24 173.16 2ka9 n ASN 188 N -1.21 -2.58 0.00 2.44 3.02 -1.26 -4.79 115.26 110.89 2ka9 n ASN 188 Ca 0.11 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2ka9 n ASN 188 Cb 0.50 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64