#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky9 s LYS 2 N 0.00 2.71 0.14 0.03 0.00 -1.26 -4.94 119.74 116.43 2ky9 s LYS 2 Ca 0.00 1.11 -0.31 0.00 0.00 0.00 0.00 55.97 56.76 2ky9 s LYS 2 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 37.83 35.78 2ky9 s LYS 2 CO 0.00 -1.28 1.47 0.08 0.00 0.00 0.00 175.35 175.62 2ky9 s VAL 3 N -2.85 2.97 0.00 1.79 1.01 -1.26 -2.92 120.40 119.14 2ky9 s VAL 3 Ca 0.61 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.29 2ky9 s VAL 3 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2ky9 s VAL 3 CO 0.52 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2ky9 n GLY 4 N 3.59 1.24 3.85 4.51 0.00 -0.17 -5.03 105.19 113.19 2ky9 n GLY 4 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ky9 s SER 5 N -1.78 6.68 -0.06 1.61 0.01 -1.15 -4.83 113.70 114.18 2ky9 s SER 5 Ca 0.00 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2ky9 s SER 5 Cb 0.00 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2ky9 s SER 5 CO 0.00 -0.43 -0.03 -1.58 0.41 0.00 0.00 173.24 171.61 2ky9 s GLN 6 N -3.65 2.83 0.08 12.44 0.74 -1.26 -1.42 119.66 129.41 2ky9 s GLN 6 Ca 0.57 -0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.48 2ky9 s GLN 6 Cb -0.10 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 2ky9 s GLN 6 CO 0.25 0.67 -0.07 0.14 -0.55 0.00 0.00 175.29 175.73 2ky9 s VAL 7 N -0.89 0.65 -0.17 1.34 -7.23 0.00 -1.54 120.40 112.56 2ky9 s VAL 7 Ca 0.14 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2ky9 s VAL 7 Cb -0.11 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 2ky9 s VAL 7 CO 0.04 -0.76 0.29 -0.63 -0.31 0.00 0.00 175.10 173.72 2ky9 s ILE 8 N -3.10 5.30 -0.09 -0.62 -1.09 0.28 -1.28 121.20 120.61 2ky9 s ILE 8 Ca 0.07 0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 58.73 2ky9 s ILE 8 Cb 0.02 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 2ky9 s ILE 8 CO -0.04 0.37 0.89 -0.63 -1.23 0.00 0.00 174.94 174.30 2ky9 s ILE 9 N 0.62 4.89 -0.12 2.92 1.01 -0.88 -1.16 121.20 128.48 2ky9 s ILE 9 Ca 0.16 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 2ky9 s ILE 9 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2ky9 s ILE 9 CO 0.04 0.10 -0.20 0.59 0.00 0.00 0.00 174.94 175.47 2ky9 n ASN 10 N 4.54 1.32 -4.83 3.58 3.02 -0.58 -0.71 115.26 121.59 2ky9 n ASN 10 Ca 0.05 0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 54.55 2ky9 n ASN 10 Cb 0.50 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ky9 s THR 11 N -2.18 4.92 -0.00 3.41 2.01 -1.11 -4.67 115.64 118.02 2ky9 s THR 11 Ca -0.17 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.79 2ky9 s THR 11 Cb 0.02 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 2ky9 s THR 11 CO 0.25 0.51 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.65 2ky9 s SER 12 N -1.22 1.22 -0.04 3.53 1.04 -1.26 -4.84 113.70 112.14 2ky9 s SER 12 Ca 0.28 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 2ky9 s SER 12 Cb -0.17 -0.13 -0.29 0.00 0.10 0.00 0.00 66.02 65.53 2ky9 s SER 12 CO 0.16 0.12 0.71 0.45 0.98 0.00 0.00 173.24 175.66 2ky9 h HIS 13 N 5.82 0.57 -3.24 5.02 3.86 -1.95 -3.45 115.15 121.78 2ky9 h HIS 13 Ca -0.32 -0.42 -0.60 0.00 -1.16 0.00 0.00 60.37 57.87 2ky9 h HIS 13 Cb 1.18 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 29.51 2ky9 h HIS 13 CO 0.41 1.55 -0.46 -1.64 0.86 0.00 0.00 177.93 178.65 2ky9 s MET 14 N -2.59 4.16 0.33 2.45 -1.94 -1.26 -5.03 119.30 115.42 2ky9 s MET 14 Ca -0.13 -0.16 0.04 0.00 -1.71 0.00 0.00 55.69 53.73 2ky9 s MET 14 Cb 0.06 -3.41 0.66 0.00 2.01 0.00 0.00 34.83 34.15 2ky9 s MET 14 CO 0.85 0.31 1.89 1.57 -0.01 0.00 0.00 175.02 179.63 2ky9 h LYS 15 N 6.58 0.85 0.00 2.03 -0.00 -2.00 -1.18 116.57 122.85 2ky9 h LYS 15 Ca -0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2ky9 h LYS 15 Cb 1.16 -0.19 0.00 0.00 -0.00 0.00 0.00 32.23 33.20 2ky9 h LYS 15 CO 0.75 0.56 0.00 0.41 -0.00 0.00 0.00 179.45 181.17 2ky9 n GLY 16 N -1.41 -0.78 0.08 0.07 0.00 -1.26 -3.24 105.19 98.66 2ky9 n GLY 16 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2ky9 n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ky9 n MET 17 N -0.96 0.64 -2.05 1.61 0.00 -0.45 -1.19 117.12 114.72 2ky9 n MET 17 Ca 0.17 0.11 -0.42 0.00 0.00 0.00 0.00 57.70 57.56 2ky9 n MET 17 Cb 0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 33.22 31.55 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ky9 s LYS 18 N -2.97 4.22 0.00 2.12 2.20 -1.20 -2.35 119.74 121.75 2ky9 s LYS 18 Ca -0.05 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 2ky9 s LYS 18 Cb 0.09 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2ky9 s LYS 18 CO 0.83 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 2ky9 n GLY 19 N 3.93 1.99 3.79 5.54 0.00 0.11 -4.89 105.19 115.67 2ky9 n GLY 19 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2ky9 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 20 N -2.41 2.62 -0.62 4.61 0.00 -0.99 -4.58 121.76 120.38 2ky9 s ALA 20 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.17 2ky9 s ALA 20 Cb 0.00 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.94 2ky9 s ALA 20 CO 0.00 -1.05 0.84 -1.21 0.00 0.00 0.00 175.76 174.34 2ky9 s GLU 21 N -4.19 3.09 0.40 0.00 8.01 -1.26 -2.08 118.70 122.67 2ky9 s GLU 21 Ca 0.64 -1.03 -0.05 0.00 0.01 0.00 0.00 54.97 54.54 2ky9 s GLU 21 Cb -0.18 -4.24 -0.04 0.00 -4.31 0.00 0.00 34.13 25.36 2ky9 s GLU 21 CO 0.41 -1.68 0.69 0.00 0.01 0.00 0.00 175.26 174.69 2ky9 s ALA 22 N 3.43 3.50 -0.07 5.21 0.00 -0.40 -4.12 121.76 129.31 2ky9 s ALA 22 Ca 0.17 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2ky9 s ALA 22 Cb -0.20 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.50 2ky9 s ALA 22 CO 0.09 -0.11 -0.07 0.99 0.00 0.00 0.00 175.76 176.66 2ky9 s THR 23 N -2.46 0.81 -0.64 0.00 2.01 0.17 -0.82 115.64 114.71 2ky9 s THR 23 Ca 0.46 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 2ky9 s THR 23 Cb -0.10 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2ky9 s THR 23 CO 0.38 0.30 1.45 -0.69 -0.69 0.00 0.00 174.62 175.37 2ky9 s VAL 24 N 1.18 3.68 -0.94 3.82 1.01 -0.51 -1.43 120.40 127.21 2ky9 s VAL 24 Ca -0.06 0.47 0.22 0.00 0.00 0.00 0.00 61.98 62.62 2ky9 s VAL 24 Cb -0.14 -4.54 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 2ky9 s VAL 24 CO -0.02 -1.40 1.07 0.35 0.00 0.00 0.00 175.10 175.10 2ky9 n THR 25 N 6.73 0.01 -3.59 3.92 -2.24 0.06 -1.00 114.28 118.19 2ky9 n THR 25 Ca 0.10 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 2ky9 n THR 25 Cb 0.50 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 2ky9 n THR 25 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ky9 s GLY 26 N -3.09 -0.48 -0.07 3.38 0.00 -0.52 -4.94 107.32 101.60 2ky9 s GLY 26 Ca 0.08 1.14 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 2ky9 s GLY 26 CO 0.81 0.83 0.02 0.00 0.00 0.00 0.00 173.10 174.76 2ky9 s ALA 27 N -1.08 0.55 -0.19 3.20 0.00 -1.26 -1.74 121.76 121.24 2ky9 s ALA 27 Ca -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2ky9 s ALA 27 Cb -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2ky9 s ALA 27 CO 0.08 -0.51 -0.15 0.71 0.00 0.00 0.00 175.76 175.89 2ky9 s TYR 28 N 2.04 2.65 -1.05 0.00 1.51 -0.27 -5.02 117.35 117.20 2ky9 s TYR 28 Ca 0.05 -1.65 -0.13 0.00 -1.01 0.00 0.00 57.07 54.33 2ky9 s TYR 28 Cb -0.12 -1.79 0.21 0.00 -0.11 0.00 0.00 41.96 40.15 2ky9 s TYR 28 CO -0.05 -0.78 1.13 0.16 -1.11 0.00 0.00 175.55 174.91 2ky9 s ASP 29 N 1.33 7.03 0.34 2.29 -4.77 -1.26 -1.29 116.67 120.33 2ky9 s ASP 29 Ca 0.01 -3.00 0.05 0.00 -3.30 0.00 0.00 52.55 46.32 2ky9 s ASP 29 Cb -0.15 -2.29 -0.02 0.00 -1.09 0.00 0.00 42.92 39.37 2ky9 s ASP 29 CO -0.10 -0.60 0.18 1.07 0.70 0.00 0.00 175.17 176.42 2ky9 n THR 30 N 3.94 0.00 -3.25 2.11 5.66 -1.25 -5.03 114.28 116.45 2ky9 n THR 30 Ca 0.25 -2.15 -0.38 0.00 -3.05 0.00 0.00 64.05 58.72 2ky9 n THR 30 Cb 0.43 0.90 -0.06 0.00 -1.55 0.00 0.00 70.33 70.05 2ky9 n THR 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2ky9 s THR 31 N -3.04 5.14 0.23 1.09 2.01 -1.26 -2.49 115.64 117.32 2ky9 s THR 31 Ca 0.25 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.37 2ky9 s THR 31 Cb 0.01 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2ky9 s THR 31 CO 0.18 0.28 0.04 0.00 -0.69 0.00 0.00 174.62 174.43 2ky9 s ALA 32 N 0.91 3.28 0.04 7.40 0.00 0.20 -0.98 121.76 132.61 2ky9 s ALA 32 Ca 0.27 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2ky9 s ALA 32 Cb -0.16 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 2ky9 s ALA 32 CO 0.11 0.35 -0.09 0.71 0.00 0.00 0.00 175.76 176.84 2ky9 s TYR 33 N -2.05 0.75 -0.37 0.00 2.02 0.97 -1.63 117.35 117.03 2ky9 s TYR 33 Ca 0.30 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 2ky9 s TYR 33 Cb -0.08 -0.44 0.03 0.00 -0.40 0.00 0.00 41.96 41.07 2ky9 s TYR 33 CO 0.21 -0.06 0.19 0.08 -1.57 0.00 0.00 175.55 174.40 2ky9 s VAL 34 N -1.31 4.40 0.09 0.71 1.01 -0.54 -2.61 120.40 122.16 2ky9 s VAL 34 Ca -0.08 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.03 2ky9 s VAL 34 Cb -0.10 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2ky9 s VAL 34 CO 0.01 -0.25 -0.25 0.68 0.00 0.00 0.00 175.10 175.29 2ky9 s VAL 35 N 1.52 2.02 -0.06 2.92 -7.23 -1.06 -0.72 120.40 117.78 2ky9 s VAL 35 Ca 0.01 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 2ky9 s VAL 35 Cb -0.20 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2ky9 s VAL 35 CO 0.06 0.13 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.33 2ky9 s SER 36 N -1.72 4.33 0.14 4.85 0.15 -0.65 -0.37 113.70 120.44 2ky9 s SER 36 Ca 0.11 -0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.42 2ky9 s SER 36 Cb -0.10 -1.06 0.06 0.00 -1.71 0.00 0.00 66.02 63.22 2ky9 s SER 36 CO 0.04 0.34 0.57 -0.72 1.20 0.00 0.00 173.24 174.67 2ky9 s TYR 37 N -0.69 -0.49 -0.36 3.44 1.13 -0.27 -1.07 117.35 119.04 2ky9 s TYR 37 Ca 0.10 0.30 -0.08 0.00 -1.41 0.00 0.00 57.07 55.98 2ky9 s TYR 37 Cb -0.11 0.50 0.05 0.00 -1.10 0.00 0.00 41.96 41.30 2ky9 s TYR 37 CO 0.01 -0.81 0.16 0.99 -2.51 0.00 0.00 175.55 173.39 2ky9 s THR 38 N -3.61 4.04 0.67 -3.49 2.01 -1.26 -0.79 115.64 113.21 2ky9 s THR 38 Ca 0.01 -1.14 -0.17 0.00 0.31 0.00 0.00 61.69 60.69 2ky9 s THR 38 Cb -0.01 -3.33 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 2ky9 s THR 38 CO -0.12 -0.27 0.28 -2.65 -0.69 0.00 0.00 174.62 171.18 2ky9 n PRO 39 N 4.87 0.25 0.27 4.92 -0.02 -1.26 -4.80 135.00 139.23 2ky9 n PRO 39 Ca -0.12 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 2ky9 n PRO 39 Cb 0.45 -1.57 0.75 0.00 -0.02 0.00 0.00 33.50 33.11 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2ky9 h THR 40 N -0.24 0.50 0.00 3.45 1.35 -1.28 -0.50 112.91 116.20 2ky9 h THR 40 Ca -0.44 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2ky9 h THR 40 Cb 1.37 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2ky9 h THR 40 CO 0.42 0.10 0.00 -0.55 -0.25 0.00 0.00 175.52 175.24 2ky9 h ASN 41 N 0.00 0.00 -0.01 5.36 7.08 -1.89 -3.47 115.58 122.65 2ky9 h ASN 41 Ca -0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.21 2ky9 h ASN 41 Cb 0.33 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.57 2ky9 h ASN 41 CO 0.01 0.00 -0.00 0.61 -2.08 0.00 0.00 177.43 175.97 2ky9 n GLY 42 N -0.26 0.41 0.00 9.14 0.00 -0.19 -5.04 105.19 109.24 2ky9 n GLY 42 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2ky9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ky9 n GLY 43 N -2.97 0.76 3.71 -0.02 0.00 -1.26 -4.99 105.19 100.42 2ky9 n GLY 43 Ca -0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2ky9 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ky9 s GLN 44 N 1.41 4.33 0.25 1.61 -2.07 -1.26 -4.86 119.66 119.06 2ky9 s GLN 44 Ca 0.00 2.02 -0.31 0.00 -1.82 0.00 0.00 55.36 55.25 2ky9 s GLN 44 Cb 0.00 -3.33 -0.12 0.00 -1.09 0.00 0.00 33.01 28.47 2ky9 s GLN 44 CO 0.00 -0.44 1.60 -2.13 -1.32 0.00 0.00 175.29 173.00 2ky9 n ARG 45 N 4.23 2.56 -3.67 9.60 0.63 -1.26 -4.47 116.66 124.28 2ky9 n ARG 45 Ca 0.11 0.92 -0.39 0.00 -0.92 0.00 0.00 57.85 57.57 2ky9 n ARG 45 Cb 0.43 -2.70 -0.11 0.00 0.45 0.00 0.00 32.46 30.53 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ky9 s VAL 46 N 0.40 4.11 0.05 5.15 1.01 0.03 -5.00 120.40 126.14 2ky9 s VAL 46 Ca 0.69 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2ky9 s VAL 46 Cb -0.54 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2ky9 s VAL 46 CO 0.43 -0.27 0.14 1.51 0.00 0.00 0.00 175.10 176.91 2ky9 s ASP 47 N 1.59 5.97 -1.43 3.32 -4.77 -1.26 -1.12 116.67 118.97 2ky9 s ASP 47 Ca 0.01 0.16 -0.05 0.00 -3.30 0.00 0.00 52.55 49.37 2ky9 s ASP 47 Cb -0.20 -1.75 0.02 0.00 -1.09 0.00 0.00 42.92 39.90 2ky9 s ASP 47 CO 0.04 0.20 0.42 1.41 0.70 0.00 0.00 175.17 177.94 2ky9 n HIS 48 N 0.57 -1.73 -1.80 2.11 8.25 -1.00 -4.91 115.22 116.71 2ky9 n HIS 48 Ca -0.08 0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 57.33 2ky9 n HIS 48 Cb 0.52 -3.75 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 2ky9 n HIS 48 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ky9 s HIS 49 N -3.01 1.91 0.04 4.41 2.46 0.50 -4.68 115.29 116.92 2ky9 s HIS 49 Ca 0.26 -0.05 0.09 0.00 0.47 0.00 0.00 55.06 55.82 2ky9 s HIS 49 Cb -0.12 -4.11 -0.03 0.00 -0.13 0.00 0.00 32.58 28.19 2ky9 s HIS 49 CO 0.32 -4.70 -0.25 0.15 -2.47 0.00 0.00 174.74 167.79 2ky9 s LYS 50 N 3.45 1.72 0.01 2.88 1.02 -1.26 -2.57 119.74 124.97 2ky9 s LYS 50 Ca 0.80 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 55.79 2ky9 s LYS 50 Cb -0.42 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2ky9 s LYS 50 CO 0.36 0.48 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.63 2ky9 s TRP 51 N -0.77 2.91 -0.12 3.18 0.52 -1.26 -4.75 118.94 118.65 2ky9 s TRP 51 Ca 0.10 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.21 2ky9 s TRP 51 Cb -0.10 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 2ky9 s TRP 51 CO 0.02 0.39 -0.16 0.14 0.02 0.00 0.00 176.95 177.35 2ky9 s VAL 52 N -1.01 2.79 0.31 4.03 -7.23 -1.07 -4.44 120.40 113.78 2ky9 s VAL 52 Ca 0.17 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 2ky9 s VAL 52 Cb -0.11 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2ky9 s VAL 52 CO 0.08 0.53 0.30 0.27 -0.31 0.00 0.00 175.10 175.97 2ky9 s ILE 53 N 0.34 3.91 0.31 -0.62 -4.36 -1.26 -0.02 121.20 119.49 2ky9 s ILE 53 Ca -0.13 -1.30 0.06 0.00 -0.26 0.00 0.00 60.65 59.02 2ky9 s ILE 53 Cb -0.16 -3.30 0.31 0.00 1.25 0.00 0.00 42.46 40.55 2ky9 s ILE 53 CO 0.07 -0.22 1.81 -0.61 0.24 0.00 0.00 174.94 176.23 2ky9 h GLN 54 N 1.25 0.77 0.00 0.37 4.15 -1.41 -0.48 115.11 119.75 2ky9 h GLN 54 Ca -0.46 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 58.78 2ky9 h GLN 54 Cb 1.25 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2ky9 h GLN 54 CO 0.58 0.51 -0.61 1.49 -1.93 0.00 0.00 178.83 178.87 2ky9 h GLU 55 N 0.79 0.00 0.00 1.69 4.81 -1.96 -3.24 114.58 116.68 2ky9 h GLU 55 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2ky9 h GLU 55 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2ky9 h GLU 55 CO -0.31 0.61 -0.03 -1.91 -0.73 0.00 0.00 179.01 176.65 2ky9 n GLU 56 N -3.66 0.19 -4.48 1.92 2.13 -0.24 -4.72 120.64 111.78 2ky9 n GLU 56 Ca -0.01 0.15 -0.34 0.00 0.66 0.00 0.00 57.16 57.62 2ky9 n GLU 56 Cb 0.64 -1.71 -0.10 0.00 0.27 0.00 0.00 31.44 30.53 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ky9 s ILE 57 N -3.07 4.06 -0.07 6.31 1.01 -0.89 -2.33 121.20 126.22 2ky9 s ILE 57 Ca 0.11 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 2ky9 s ILE 57 Cb 0.14 -2.69 -0.13 0.00 0.01 0.00 0.00 42.46 39.80 2ky9 s ILE 57 CO 0.58 0.60 0.62 0.50 0.00 0.00 0.00 174.94 177.24 2ky9 h LYS 58 N 5.21 -0.17 0.00 2.79 3.64 -1.81 -3.34 116.57 122.89 2ky9 h LYS 58 Ca -0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2ky9 h LYS 58 Cb 1.18 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ky9 h LYS 58 CO 0.53 0.21 0.00 -0.25 -2.27 0.00 0.00 179.45 177.68 2ky9 n ASP 59 N -4.87 0.00 -0.12 4.20 9.92 -1.26 -3.52 116.55 120.90 2ky9 n ASP 59 Ca -0.06 0.10 -0.05 0.00 -0.53 0.00 0.00 54.79 54.25 2ky9 n ASP 59 Cb 0.23 -0.27 0.02 0.00 -0.64 0.00 0.00 41.12 40.46 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ky9 h ALA 60 N 2.53 0.25 -1.51 2.24 0.00 -1.83 -3.47 119.26 117.46 2ky9 h ALA 60 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 2ky9 h ALA 60 Cb 0.10 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2ky9 h ALA 60 CO 0.00 -0.47 -0.34 0.41 0.00 0.00 0.00 179.25 178.85 2ky9 n GLY 61 N -1.32 0.57 2.57 0.00 0.00 -1.23 -1.98 105.19 103.80 2ky9 n GLY 61 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ky9 n ASP 62 N -0.70 -5.06 -4.84 1.61 8.00 -1.26 -5.01 116.55 109.28 2ky9 n ASP 62 Ca -0.17 0.25 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 2ky9 n ASP 62 Cb 0.57 -3.45 -0.04 0.00 -0.02 0.00 0.00 41.12 38.19 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ky9 s LYS 63 N -2.68 2.23 -0.35 -1.24 -2.85 -0.84 -5.11 119.74 108.91 2ky9 s LYS 63 Ca 0.00 -2.27 -0.25 0.00 -1.00 0.00 0.00 55.97 52.45 2ky9 s LYS 63 Cb 0.00 -1.78 0.01 0.00 -2.06 0.00 0.00 37.83 34.00 2ky9 s LYS 63 CO 0.00 -0.53 0.89 0.99 0.10 0.00 0.00 175.35 176.80 2ky9 s THR 64 N -2.86 4.64 -0.29 3.79 2.01 -1.26 -4.94 115.64 116.73 2ky9 s THR 64 Ca 0.16 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 2ky9 s THR 64 Cb -0.01 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2ky9 s THR 64 CO 0.10 -0.47 1.27 -0.76 -0.69 0.00 0.00 174.62 174.07 2ky9 s LEU 65 N 3.34 3.92 0.21 4.42 1.43 -1.26 -5.03 118.68 125.71 2ky9 s LEU 65 Ca 0.37 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2ky9 s LEU 65 Cb -0.12 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 2ky9 s LEU 65 CO 0.17 -1.02 0.59 -1.10 0.23 0.00 0.00 176.35 175.22 2ky9 s GLN 66 N 4.04 3.92 -0.30 1.70 -0.21 -1.26 -4.63 119.66 122.92 2ky9 s GLN 66 Ca 0.55 0.44 -0.38 0.00 0.02 0.00 0.00 55.36 55.99 2ky9 s GLN 66 Cb -0.17 -2.73 -0.14 0.00 1.00 0.00 0.00 33.01 30.98 2ky9 s GLN 66 CO 0.21 0.35 1.93 -2.30 -2.12 0.00 0.00 175.29 173.36 2ky9 n PRO 67 N 0.21 1.17 0.00 2.91 -0.02 -1.26 -2.10 135.00 135.91 2ky9 n PRO 67 Ca -0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2ky9 n PRO 67 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2ky9 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ky9 n GLY 68 N 5.18 2.02 3.81 -1.23 0.00 -0.18 -4.99 105.19 109.81 2ky9 n GLY 68 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 2ky9 n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ky9 s ASP 69 N -1.45 6.93 -0.14 1.61 1.01 -0.89 -4.75 116.67 118.99 2ky9 s ASP 69 Ca 0.00 1.74 -0.04 0.00 0.71 0.00 0.00 52.55 54.96 2ky9 s ASP 69 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2ky9 s ASP 69 CO 0.00 -0.37 -0.00 -1.10 0.21 0.00 0.00 175.17 173.91 2ky9 s GLN 70 N -3.01 3.55 0.05 8.23 -0.21 -1.26 -1.54 119.66 125.47 2ky9 s GLN 70 Ca 0.61 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.54 2ky9 s GLN 70 Cb -0.11 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 2ky9 s GLN 70 CO 0.16 0.38 -0.04 0.14 -2.12 0.00 0.00 175.29 173.81 2ky9 s VAL 71 N 0.01 0.31 -0.15 1.09 -7.23 -0.37 -4.97 120.40 109.08 2ky9 s VAL 71 Ca 0.03 -1.45 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 2ky9 s VAL 71 Cb -0.13 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2ky9 s VAL 71 CO 0.02 -0.74 0.11 -0.63 -0.31 0.00 0.00 175.10 173.56 2ky9 s ILE 72 N -2.76 5.28 -0.29 -0.62 1.09 -1.26 -0.75 121.20 121.89 2ky9 s ILE 72 Ca -0.02 0.13 -0.22 0.00 -1.10 0.00 0.00 60.65 59.45 2ky9 s ILE 72 Cb -0.00 -3.34 -0.01 0.00 -1.06 0.00 0.00 42.46 38.05 2ky9 s ILE 72 CO -0.05 0.54 0.70 -0.76 -0.10 0.00 0.00 174.94 175.27 2ky9 s LEU 73 N -0.37 4.10 0.00 2.97 1.43 -1.07 -2.89 118.68 122.84 2ky9 s LEU 73 Ca 0.11 0.64 0.29 0.00 -1.03 0.00 0.00 54.13 54.14 2ky9 s LEU 73 Cb -0.12 -2.95 1.36 0.00 0.03 0.00 0.00 46.19 44.51 2ky9 s LEU 73 CO 0.01 -0.51 1.93 -0.62 0.23 0.00 0.00 176.35 177.40 2ky9 n GLU 74 N 5.97 0.87 -4.48 1.70 -0.58 -0.98 -1.21 120.64 121.92 2ky9 n GLU 74 Ca 0.01 -0.27 -0.23 0.00 -0.42 0.00 0.00 57.16 56.25 2ky9 n GLU 74 Cb 0.48 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ky9 s ALA 75 N -2.32 2.59 -0.15 0.62 0.00 -1.24 -4.93 121.76 116.33 2ky9 s ALA 75 Ca 0.34 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 2ky9 s ALA 75 Cb 0.21 0.69 0.06 0.00 0.00 0.00 0.00 23.12 24.08 2ky9 s ALA 75 CO 0.43 -0.32 0.34 -1.54 0.00 0.00 0.00 175.76 174.67 2ky9 s SER 76 N -3.53 -0.30 0.15 0.00 1.04 -1.26 -3.33 113.70 106.46 2ky9 s SER 76 Ca 0.31 0.74 0.25 0.00 0.48 0.00 0.00 55.95 57.73 2ky9 s SER 76 Cb 0.06 0.70 0.52 0.00 0.10 0.00 0.00 66.02 67.40 2ky9 s SER 76 CO 0.15 -0.19 1.49 1.41 0.98 0.00 0.00 173.24 177.08 2ky9 n HIS 77 N 4.50 0.69 -3.81 5.02 8.25 -1.26 -4.97 115.22 123.64 2ky9 n HIS 77 Ca -0.20 0.20 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2ky9 n HIS 77 Cb 0.53 -0.76 0.01 0.00 1.12 0.00 0.00 29.99 30.90 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 n MET 78 N -2.16 0.94 -2.11 -0.41 0.00 -1.26 -5.14 117.12 106.98 2ky9 n MET 78 Ca 0.04 -2.20 -0.41 0.00 0.00 0.00 0.00 57.70 55.13 2ky9 n MET 78 Cb 0.43 2.54 -0.03 0.00 0.00 0.00 0.00 33.22 36.17 2ky9 n MET 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2ky9 s LYS 79 N -2.27 4.33 -0.74 3.17 -2.85 -1.26 -3.42 119.74 116.70 2ky9 s LYS 79 Ca 0.18 2.20 0.00 0.00 -1.00 0.00 0.00 55.97 57.35 2ky9 s LYS 79 Cb -0.04 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2ky9 s LYS 79 CO 0.13 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.68 2ky9 n GLY 80 N 1.96 0.90 0.13 0.59 0.00 -1.26 -4.84 105.19 102.67 2ky9 n GLY 80 Ca 0.05 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2ky9 n GLY 80 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ky9 n MET 81 N -2.39 0.70 -2.10 1.61 0.00 -1.22 -0.76 117.12 112.96 2ky9 n MET 81 Ca -0.07 0.34 -0.42 0.00 0.00 0.00 0.00 57.70 57.55 2ky9 n MET 81 Cb 0.28 -1.70 -0.03 0.00 0.00 0.00 0.00 33.22 31.77 2ky9 n MET 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ky9 s LYS 82 N -2.51 4.28 0.00 2.12 2.20 -1.21 -2.64 119.74 121.99 2ky9 s LYS 82 Ca -0.25 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 2ky9 s LYS 82 Cb 0.07 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2ky9 s LYS 82 CO 0.71 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 2ky9 n GLY 83 N 3.60 2.28 3.77 5.54 0.00 -0.35 -4.89 105.19 115.14 2ky9 n GLY 83 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2ky9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 84 N -2.37 3.30 -0.44 4.61 0.00 -1.08 -4.78 121.76 121.00 2ky9 s ALA 84 Ca 0.00 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 2ky9 s ALA 84 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.78 2ky9 s ALA 84 CO 0.00 -0.38 0.70 0.99 0.00 0.00 0.00 175.76 177.07 2ky9 s THR 85 N -1.29 4.76 0.42 0.00 2.01 -1.26 -2.61 115.64 117.67 2ky9 s THR 85 Ca 0.51 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.84 2ky9 s THR 85 Cb -0.32 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 67.95 2ky9 s THR 85 CO 0.41 -0.63 0.59 0.00 -0.69 0.00 0.00 174.62 174.30 2ky9 s ALA 86 N 3.01 4.24 -0.02 7.40 0.00 0.07 -4.52 121.76 131.94 2ky9 s ALA 86 Ca 0.26 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2ky9 s ALA 86 Cb -0.13 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 2ky9 s ALA 86 CO 0.20 -0.30 -0.15 -1.83 0.00 0.00 0.00 175.76 173.68 2ky9 s GLU 87 N -4.39 1.33 -0.11 0.00 1.03 -0.23 -1.24 118.70 115.09 2ky9 s GLU 87 Ca 0.52 -0.53 -0.29 0.00 0.03 0.00 0.00 54.97 54.69 2ky9 s GLU 87 Cb -0.10 -1.24 -0.03 0.00 -0.80 0.00 0.00 34.13 31.96 2ky9 s GLU 87 CO 0.34 0.28 1.40 0.42 -1.33 0.00 0.00 175.26 176.37 2ky9 s ILE 88 N -0.19 4.00 -0.08 1.83 -1.09 -0.59 -1.63 121.20 123.46 2ky9 s ILE 88 Ca 0.02 1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 59.54 2ky9 s ILE 88 Cb -0.08 -3.80 -0.29 0.00 -1.58 0.00 0.00 42.46 36.72 2ky9 s ILE 88 CO 0.00 -0.10 0.62 0.44 -1.23 0.00 0.00 174.94 174.68 2ky9 h ASP 89 N 8.59 0.49 -5.02 3.58 3.32 -1.28 -0.45 116.42 125.66 2ky9 h ASP 89 Ca -0.32 -0.90 -0.07 0.00 0.02 0.00 0.00 57.03 55.77 2ky9 h ASP 89 Cb 1.14 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 2ky9 h ASP 89 CO 0.96 1.68 -0.02 -0.44 -1.72 0.00 0.00 179.24 179.70 2ky9 s SER 90 N -7.15 -0.39 0.06 6.45 0.01 -1.03 -4.73 113.70 106.92 2ky9 s SER 90 Ca -0.18 0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.31 2ky9 s SER 90 Cb 0.05 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 2ky9 s SER 90 CO 0.81 -0.67 -0.19 0.00 0.41 0.00 0.00 173.24 173.60 2ky9 s ALA 91 N -2.27 1.61 -0.23 1.44 0.00 -1.26 -1.46 121.76 119.59 2ky9 s ALA 91 Ca -0.06 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 2ky9 s ALA 91 Cb -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.92 2ky9 s ALA 91 CO -0.01 0.33 0.57 -2.00 0.00 0.00 0.00 175.76 174.66 2ky9 s GLU 92 N -1.43 0.58 -0.75 0.00 2.12 -0.65 -5.02 118.70 113.55 2ky9 s GLU 92 Ca 0.05 1.00 -0.21 0.00 0.36 0.00 0.00 54.97 56.17 2ky9 s GLU 92 Cb -0.09 0.11 0.09 0.00 0.26 0.00 0.00 34.13 34.50 2ky9 s GLU 92 CO 0.02 -0.14 1.01 0.15 -0.54 0.00 0.00 175.26 175.76 2ky9 s LYS 93 N 1.35 3.28 0.06 4.30 3.01 -1.26 -0.62 119.74 129.85 2ky9 s LYS 93 Ca -0.08 -1.20 0.02 0.00 -1.01 0.00 0.00 55.97 53.69 2ky9 s LYS 93 Cb -0.06 -4.49 -0.03 0.00 -1.01 0.00 0.00 37.83 32.23 2ky9 s LYS 93 CO -0.14 -1.79 -0.07 -0.08 0.51 0.00 0.00 175.35 173.78 2ky9 s THR 94 N 3.50 0.52 -0.16 2.17 -1.32 -1.04 -4.97 115.64 114.34 2ky9 s THR 94 Ca 0.25 -1.37 -0.25 0.00 -1.21 0.00 0.00 61.69 59.11 2ky9 s THR 94 Cb -0.13 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2ky9 s THR 94 CO 0.03 -0.59 0.82 -0.89 -2.21 0.00 0.00 174.62 171.78 2ky9 s THR 95 N -2.25 4.89 -0.06 5.08 2.01 -1.26 -3.82 115.64 120.22 2ky9 s THR 95 Ca -0.03 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.62 2ky9 s THR 95 Cb -0.04 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2ky9 s THR 95 CO -0.02 0.04 -0.12 0.68 -0.69 0.00 0.00 174.62 174.50 2ky9 s VAL 96 N 2.08 3.22 0.11 3.82 -7.23 -0.41 -3.05 120.40 118.96 2ky9 s VAL 96 Ca 0.38 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.98 2ky9 s VAL 96 Cb -0.17 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2ky9 s VAL 96 CO 0.13 0.58 -0.16 -0.31 -0.31 0.00 0.00 175.10 175.03 2ky9 s TYR 97 N -0.62 2.59 -0.34 2.82 2.02 0.33 -1.12 117.35 123.03 2ky9 s TYR 97 Ca 0.09 -0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.40 2ky9 s TYR 97 Cb -0.11 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2ky9 s TYR 97 CO 0.01 0.40 0.39 1.41 -1.57 0.00 0.00 175.55 176.20 2ky9 s MET 98 N -2.17 3.59 0.25 -0.62 -2.45 -0.71 -3.44 119.30 113.75 2ky9 s MET 98 Ca 0.19 -0.35 0.10 0.00 -1.25 0.00 0.00 55.69 54.38 2ky9 s MET 98 Cb -0.11 -3.80 -0.05 0.00 1.25 0.00 0.00 34.83 32.12 2ky9 s MET 98 CO 0.11 -0.54 -0.17 0.14 1.05 0.00 0.00 175.02 175.61 2ky9 s VAL 99 N 2.10 2.16 -0.19 10.11 -7.23 -0.91 -0.76 120.40 125.68 2ky9 s VAL 99 Ca 0.13 -2.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 2ky9 s VAL 99 Cb -0.16 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2ky9 s VAL 99 CO 0.12 -0.47 -0.15 -0.62 -0.31 0.00 0.00 175.10 173.67 2ky9 s ASP 100 N -3.43 3.35 0.33 4.85 2.15 -0.51 -1.08 116.67 122.32 2ky9 s ASP 100 Ca 0.27 -0.81 0.03 0.00 0.43 0.00 0.00 52.55 52.47 2ky9 s ASP 100 Cb -0.03 -1.37 -0.04 0.00 -0.30 0.00 0.00 42.92 41.18 2ky9 s ASP 100 CO 0.12 -0.08 0.12 -0.72 -0.17 0.00 0.00 175.17 174.44 2ky9 s TYR 101 N 1.32 1.71 -0.21 -5.34 1.13 -0.75 -0.65 117.35 114.56 2ky9 s TYR 101 Ca 0.01 -1.23 0.01 0.00 -1.41 0.00 0.00 57.07 54.45 2ky9 s TYR 101 Cb -0.15 -1.03 0.03 0.00 -1.10 0.00 0.00 41.96 39.71 2ky9 s TYR 101 CO -0.10 -0.33 -0.16 0.99 -2.51 0.00 0.00 175.55 173.45 2ky9 s THR 102 N -3.46 2.21 -0.05 -3.49 2.01 -1.26 -0.70 115.64 110.90 2ky9 s THR 102 Ca 0.33 -1.13 -0.34 0.00 0.31 0.00 0.00 61.69 60.86 2ky9 s THR 102 Cb 0.06 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.39 2ky9 s THR 102 CO 0.16 0.34 1.82 -0.24 -0.69 0.00 0.00 174.62 176.01 2ky9 n SER 103 N 4.58 3.32 0.18 3.53 2.88 0.34 -4.66 113.62 123.78 2ky9 n SER 103 Ca -0.19 1.00 0.02 0.00 -1.33 0.00 0.00 58.87 58.38 2ky9 n SER 103 Cb 0.48 -1.37 0.37 0.00 -0.75 0.00 0.00 64.21 62.94 2ky9 n SER 103 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2ky9 h THR 104 N 5.12 1.24 0.09 2.46 1.35 -1.48 -0.65 112.91 121.04 2ky9 h THR 104 Ca -0.48 -1.14 -0.28 0.00 -0.55 0.00 0.00 66.41 63.96 2ky9 h THR 104 Cb 1.27 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2ky9 h THR 104 CO 0.94 0.33 -1.40 0.00 -0.25 0.00 0.00 175.52 175.14 2ky9 h THR 105 N 0.04 1.29 0.00 6.82 1.03 -1.91 -3.39 112.91 116.79 2ky9 h THR 105 Ca 0.00 -2.94 -0.20 0.00 -0.01 0.00 0.00 66.41 63.26 2ky9 h THR 105 Cb 0.59 2.79 -0.04 0.00 -1.07 0.00 0.00 68.15 70.42 2ky9 h THR 105 CO 0.04 0.83 -1.87 -1.54 -0.01 0.00 0.00 175.52 172.97 2ky9 n SER 106 N -3.42 1.70 0.00 0.00 3.41 -1.23 -5.01 113.62 109.07 2ky9 n SER 106 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2ky9 n SER 106 Cb 1.02 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.96 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ky9 n GLY 107 N 2.08 0.58 3.81 5.00 0.00 -0.25 -5.06 105.19 111.34 2ky9 n GLY 107 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2ky9 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ky9 s GLU 108 N -0.10 4.11 -0.23 1.61 2.56 -1.25 -4.84 118.70 120.56 2ky9 s GLU 108 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 54.97 55.30 2ky9 s GLU 108 Cb 0.00 -3.26 -0.01 0.00 2.00 0.00 0.00 34.13 32.86 2ky9 s GLU 108 CO 0.00 0.59 0.83 0.21 -0.56 0.00 0.00 175.26 176.33 2ky9 s LYS 109 N -0.85 4.20 -0.35 4.30 2.20 -1.26 -0.51 119.74 127.47 2ky9 s LYS 109 Ca 0.27 0.95 -0.14 0.00 -0.36 0.00 0.00 55.97 56.70 2ky9 s LYS 109 Cb -0.18 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 2ky9 s LYS 109 CO 0.16 -0.49 0.27 0.08 -0.36 0.00 0.00 175.35 175.01 2ky9 s VAL 110 N 2.73 5.27 0.11 4.02 1.01 0.12 -4.96 120.40 128.70 2ky9 s VAL 110 Ca 0.35 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2ky9 s VAL 110 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2ky9 s VAL 110 CO 0.08 -0.08 -0.06 -1.59 0.00 0.00 0.00 175.10 173.45 2ky9 s LYS 111 N 1.75 2.30 -1.53 2.72 0.00 -1.26 -1.81 119.74 121.90 2ky9 s LYS 111 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 55.97 55.05 2ky9 s LYS 111 Cb -0.18 -2.39 0.01 0.00 0.00 0.00 0.00 37.83 35.27 2ky9 s LYS 111 CO 0.11 0.51 0.21 0.09 0.00 0.00 0.00 175.35 176.27 2ky9 n ASN 112 N 0.58 -5.38 -4.69 0.03 4.13 -1.13 -4.93 115.26 103.87 2ky9 n ASN 112 Ca -0.12 -0.08 -0.42 0.00 1.68 0.00 0.00 54.58 55.64 2ky9 n ASN 112 Cb 0.52 -4.45 -0.03 0.00 -1.54 0.00 0.00 39.78 34.28 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2ky9 s HIS 113 N -2.98 2.32 -0.01 3.10 2.46 -0.24 -4.75 115.29 115.18 2ky9 s HIS 113 Ca 0.12 0.25 -0.01 0.00 0.47 0.00 0.00 55.06 55.89 2ky9 s HIS 113 Cb -0.06 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 2ky9 s HIS 113 CO 0.15 -4.01 0.03 0.15 -2.47 0.00 0.00 174.74 168.59 2ky9 s LYS 114 N 2.83 0.04 0.08 2.88 1.02 -1.26 -2.14 119.74 123.19 2ky9 s LYS 114 Ca 0.75 0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.84 2ky9 s LYS 114 Cb -0.40 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 2ky9 s LYS 114 CO 0.33 -0.00 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.08 2ky9 s TRP 115 N 0.01 2.77 0.01 3.18 0.52 -1.26 -4.88 118.94 119.29 2ky9 s TRP 115 Ca -0.00 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.02 2ky9 s TRP 115 Cb -0.00 -1.47 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2ky9 s TRP 115 CO 0.00 0.41 -0.12 0.14 0.02 0.00 0.00 176.95 177.40 2ky9 s VAL 116 N -1.16 0.91 0.38 4.03 -7.23 -1.22 -4.11 120.40 112.00 2ky9 s VAL 116 Ca 0.20 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.79 2ky9 s VAL 116 Cb -0.11 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.03 2ky9 s VAL 116 CO 0.12 0.13 0.51 0.42 -0.31 0.00 0.00 175.10 175.98 2ky9 s THR 117 N -0.50 3.45 0.32 5.32 -4.23 -1.26 -0.52 115.64 118.23 2ky9 s THR 117 Ca 0.03 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2ky9 s THR 117 Cb -0.06 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.90 2ky9 s THR 117 CO 0.00 -0.07 1.90 -0.08 -0.54 0.00 0.00 174.62 175.83 2ky9 h GLU 118 N 0.78 0.86 -1.00 3.99 4.57 -1.92 -2.53 114.58 119.32 2ky9 h GLU 118 Ca -0.43 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 57.75 2ky9 h GLU 118 Cb 1.27 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.61 2ky9 h GLU 118 CO 0.49 0.57 0.65 0.22 -1.18 0.00 0.00 179.01 179.76 2ky9 h ASP 119 N 0.88 1.08 0.02 1.04 3.58 -1.95 -3.07 116.42 118.00 2ky9 h ASP 119 Ca 0.41 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2ky9 h ASP 119 Cb 0.39 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2ky9 h ASP 119 CO -0.17 0.73 -0.03 -0.62 -2.88 0.00 0.00 179.24 176.27 2ky9 n GLU 120 N -4.45 1.46 -4.52 0.28 1.02 -0.96 -4.86 120.64 108.62 2ky9 n GLU 120 Ca 0.14 -0.76 -0.25 0.00 -0.02 0.00 0.00 57.16 56.27 2ky9 n GLU 120 Cb 0.11 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ky9 s LEU 121 N -2.06 2.68 -0.10 -4.62 1.43 -1.16 -1.53 118.68 113.32 2ky9 s LEU 121 Ca 0.38 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2ky9 s LEU 121 Cb 0.21 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.49 2ky9 s LEU 121 CO 0.36 -0.16 0.21 -0.94 0.23 0.00 0.00 176.35 176.05 2ky9 s SER 122 N -3.57 0.23 0.21 2.29 1.04 -0.31 -4.84 113.70 108.75 2ky9 s SER 122 Ca 0.32 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.90 2ky9 s SER 122 Cb 0.01 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.47 2ky9 s SER 122 CO 0.16 -0.21 1.44 0.00 0.98 0.00 0.00 173.24 175.61 2ky9 s ALA 123 N 1.90 3.64 -0.55 5.32 0.00 -1.26 -0.55 121.76 130.26 2ky9 s ALA 123 Ca -0.03 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 2ky9 s ALA 123 Cb -0.12 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.54 2ky9 s ALA 123 CO -0.07 -0.71 0.62 0.21 0.00 0.00 0.00 175.76 175.81 2ky9 s LYS 124 N 0.10 3.05 -0.14 0.00 2.47 -0.59 -4.82 119.74 119.81 2ky9 s LYS 124 Ca 0.62 -1.27 -0.14 0.00 -1.56 0.00 0.00 55.97 53.62 2ky9 s LYS 124 Cb -0.41 -4.21 -0.06 0.00 -1.46 0.00 0.00 37.83 31.69 2ky9 s LYS 124 CO 0.39 -1.37 -0.28 1.28 0.16 0.00 0.00 175.35 175.52 2ky9 n LEU 125 N 6.01 1.75 -4.67 5.43 4.32 -1.26 -4.75 117.00 123.83 2ky9 n LEU 125 Ca -0.10 0.29 -0.29 0.00 -0.02 0.00 0.00 56.01 55.89 2ky9 n LEU 125 Cb 0.43 -0.66 0.17 0.00 -1.62 0.00 0.00 43.42 41.74 2ky9 n LEU 125 CO 0.55 -0.22 0.64 -1.83 -1.22 0.00 0.00 177.39 175.31 2ky9 s GLU 126 N -2.68 0.55 -1.47 3.23 1.03 -1.26 -4.09 118.70 114.00 2ky9 s GLU 126 Ca -0.25 0.68 -0.03 0.00 0.03 0.00 0.00 54.97 55.40 2ky9 s GLU 126 Cb 0.05 -1.74 0.00 0.00 -0.80 0.00 0.00 34.13 31.64 2ky9 s GLU 126 CO 0.36 -2.69 0.42 0.72 -1.33 0.00 0.00 175.26 172.73 2ky9 n HIS 127 N -4.17 -1.57 -1.76 4.83 8.25 -1.26 -4.96 115.22 114.58 2ky9 n HIS 127 Ca 0.06 0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 57.45 2ky9 n HIS 127 Cb 0.56 -4.08 -0.03 0.00 1.12 0.00 0.00 29.99 27.56 2ky9 n HIS 127 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ky9 s HIS 128 N -3.08 1.45 -0.68 4.41 -3.43 -1.26 -4.93 115.29 107.78 2ky9 s HIS 128 Ca 0.21 0.17 -0.27 0.00 -0.80 0.00 0.00 55.06 54.37 2ky9 s HIS 128 Cb -0.09 -4.06 0.03 0.00 -1.43 0.00 0.00 32.58 27.03 2ky9 s HIS 128 CO 0.25 -4.33 1.23 -1.01 -2.00 0.00 0.00 174.74 168.88 2ky9 s HIS 129 N 6.09 2.43 -0.00 0.38 3.76 -1.26 -5.00 115.29 121.69 2ky9 s HIS 129 Ca 0.88 0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 2ky9 s HIS 129 Cb -0.34 -4.56 -0.07 0.00 1.11 0.00 0.00 32.58 28.72 2ky9 s HIS 129 CO 0.36 -1.87 1.73 -1.58 -0.85 0.00 0.00 174.74 172.53 2ky9 s HIS 130 N 5.34 1.92 0.32 1.40 2.46 -1.26 -4.96 115.29 120.50 2ky9 s HIS 130 Ca 0.37 0.06 -0.29 0.00 0.47 0.00 0.00 55.06 55.67 2ky9 s HIS 130 Cb -0.08 -4.01 -0.11 0.00 -0.13 0.00 0.00 32.58 28.25 2ky9 s HIS 130 CO 0.18 -4.28 1.55 -1.58 -2.47 0.00 0.00 174.74 168.15 2ky9 s HIS 131 N 3.79 2.71 -0.34 3.88 2.46 -1.26 -5.32 115.29 121.20 2ky9 s HIS 131 Ca 0.77 0.91 0.03 0.00 0.47 0.00 0.00 55.06 57.24 2ky9 s HIS 131 Cb -0.37 -4.05 0.02 0.00 -0.13 0.00 0.00 32.58 28.05 2ky9 s HIS 131 CO 0.33 -3.37 0.59 0.72 -2.47 0.00 0.00 174.74 170.54