#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 4.15 0.25 0.03 2.20 -1.26 -4.90 119.74 120.21 2ky9 s LYS 2 Ca 0.00 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 2ky9 s LYS 2 Cb 0.00 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.95 2ky9 s LYS 2 CO 0.00 0.55 1.32 0.08 -0.36 0.00 0.00 175.35 176.94 2ky9 s VAL 3 N -0.73 2.97 0.00 4.02 1.01 -1.26 -2.69 120.40 123.72 2ky9 s VAL 3 Ca 0.27 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2ky9 s VAL 3 Cb -0.18 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2ky9 s VAL 3 CO 0.16 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2ky9 n GLY 4 N 1.81 1.78 3.90 4.51 0.00 -0.23 -5.04 105.19 111.92 2ky9 n GLY 4 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ky9 s SER 5 N -2.36 6.30 0.02 1.61 0.15 -1.10 -4.92 113.70 113.41 2ky9 s SER 5 Ca 0.00 0.96 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 2ky9 s SER 5 Cb 0.00 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2ky9 s SER 5 CO 0.00 -0.55 0.16 -1.10 1.20 0.00 0.00 173.24 172.95 2ky9 s GLN 6 N -4.59 3.32 0.08 5.44 -0.21 -1.26 -1.29 119.66 121.15 2ky9 s GLN 6 Ca 0.48 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.49 2ky9 s GLN 6 Cb -0.10 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 2ky9 s GLN 6 CO 0.43 0.64 -0.14 0.14 -2.12 0.00 0.00 175.29 174.24 2ky9 s VAL 7 N -1.36 1.11 -0.23 1.09 -7.23 -0.44 -1.58 120.40 111.75 2ky9 s VAL 7 Ca 0.29 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 2ky9 s VAL 7 Cb -0.13 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2ky9 s VAL 7 CO 0.21 -0.29 0.21 -0.63 -0.31 0.00 0.00 175.10 174.29 2ky9 s ILE 8 N -1.53 5.32 -0.53 -0.62 -1.09 0.13 -0.79 121.20 122.09 2ky9 s ILE 8 Ca 0.00 0.30 -0.28 0.00 -2.23 0.00 0.00 60.65 58.43 2ky9 s ILE 8 Cb -0.08 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 2ky9 s ILE 8 CO 0.02 0.32 1.27 -0.63 -1.23 0.00 0.00 174.94 174.69 2ky9 s ILE 9 N 1.13 3.99 -0.03 2.92 1.01 -0.66 -1.29 121.20 128.25 2ky9 s ILE 9 Ca 0.10 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.70 2ky9 s ILE 9 Cb -0.14 -4.55 -0.25 0.00 0.01 0.00 0.00 42.46 37.53 2ky9 s ILE 9 CO 0.05 -1.13 0.72 -0.55 0.00 0.00 0.00 174.94 174.03 2ky9 h ASN 10 N 10.03 0.24 -4.10 3.58 7.08 -1.84 0.02 115.58 130.58 2ky9 h ASN 10 Ca -0.25 -0.41 -0.38 0.00 -3.08 0.00 0.00 56.30 52.18 2ky9 h ASN 10 Cb 1.07 -0.08 -0.28 0.00 -2.08 0.00 0.00 38.32 36.96 2ky9 h ASN 10 CO 1.16 1.35 -0.77 -0.89 -2.08 0.00 0.00 177.43 176.19 2ky9 s THR 11 N -2.61 0.70 0.26 6.14 2.01 -1.14 -4.63 115.64 116.38 2ky9 s THR 11 Ca -0.10 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 2ky9 s THR 11 Cb 0.07 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 72.02 2ky9 s THR 11 CO 0.82 0.13 0.84 -0.94 -0.69 0.00 0.00 174.62 174.78 2ky9 s SER 12 N -0.39 -0.14 0.00 3.53 1.04 -1.26 -4.58 113.70 111.89 2ky9 s SER 12 Ca 0.02 -0.70 0.27 0.00 0.48 0.00 0.00 55.95 56.03 2ky9 s SER 12 Cb -0.04 0.67 0.96 0.00 0.10 0.00 0.00 66.02 67.71 2ky9 s SER 12 CO -0.00 -1.28 1.70 1.41 0.98 0.00 0.00 173.24 176.05 2ky9 n HIS 13 N -0.51 0.00 -4.25 5.02 8.25 -1.26 -4.83 115.22 117.64 2ky9 n HIS 13 Ca -0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 2ky9 n HIS 13 Cb 0.60 -0.24 -0.13 0.00 1.12 0.00 0.00 29.99 31.34 2ky9 n HIS 13 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 14 N -2.70 0.70 0.30 -0.41 -1.94 -1.26 -5.06 119.30 108.93 2ky9 s MET 14 Ca 0.21 -0.57 -0.02 0.00 -1.71 0.00 0.00 55.69 53.60 2ky9 s MET 14 Cb 0.19 -0.64 0.43 0.00 2.01 0.00 0.00 34.83 36.82 2ky9 s MET 14 CO 0.55 0.16 1.96 -0.22 -0.01 0.00 0.00 175.02 177.45 2ky9 h LYS 15 N 5.21 1.08 0.00 2.03 1.63 -1.93 -2.62 116.57 121.96 2ky9 h LYS 15 Ca -0.34 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2ky9 h LYS 15 Cb 1.19 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2ky9 h LYS 15 CO 0.45 0.73 -0.03 0.78 -3.45 0.00 0.00 179.45 177.93 2ky9 h GLY 16 N 1.12 0.00 0.59 5.01 0.00 -1.97 -2.49 103.07 105.32 2ky9 h GLY 16 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 2ky9 h GLY 16 CO -0.06 0.00 -1.80 1.03 0.00 0.00 0.00 176.54 175.71 2ky9 n MET 17 N -3.63 0.65 -2.05 4.80 2.81 -1.06 -1.16 117.12 117.48 2ky9 n MET 17 Ca -0.03 0.11 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 2ky9 n MET 17 Cb 0.13 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 30.92 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2ky9 s LYS 18 N -2.84 4.20 0.00 0.03 2.20 -0.94 -2.24 119.74 120.15 2ky9 s LYS 18 Ca -0.06 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 2ky9 s LYS 18 Cb 0.09 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2ky9 s LYS 18 CO 0.83 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2ky9 n GLY 19 N 4.03 0.84 3.89 5.54 0.00 -0.01 -4.92 105.19 114.57 2ky9 n GLY 19 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.32 3.34 -0.20 4.61 0.00 -0.95 -4.85 121.76 120.40 2ky9 s ALA 20 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 2ky9 s ALA 20 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2ky9 s ALA 20 CO 0.00 -0.34 0.61 -2.00 0.00 0.00 0.00 175.76 174.03 2ky9 s GLU 21 N -4.62 4.21 0.39 0.00 2.12 -1.26 -1.66 118.70 117.87 2ky9 s GLU 21 Ca 0.50 0.57 0.08 0.00 0.36 0.00 0.00 54.97 56.48 2ky9 s GLU 21 Cb -0.10 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.65 2ky9 s GLU 21 CO 0.43 -0.23 0.13 0.00 -0.54 0.00 0.00 175.26 175.06 2ky9 s ALA 22 N 1.87 3.46 -0.05 6.30 0.00 0.03 -3.20 121.76 130.16 2ky9 s ALA 22 Ca 0.28 -2.09 0.01 0.00 0.00 0.00 0.00 51.96 50.16 2ky9 s ALA 22 Cb -0.16 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2ky9 s ALA 22 CO 0.10 -0.11 -0.05 0.99 0.00 0.00 0.00 175.76 176.70 2ky9 s THR 23 N -2.59 0.58 -0.52 0.00 2.01 -0.04 -1.33 115.64 113.76 2ky9 s THR 23 Ca 0.39 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 2ky9 s THR 23 Cb 0.03 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2ky9 s THR 23 CO 0.21 0.24 1.58 -0.69 -0.69 0.00 0.00 174.62 175.28 2ky9 s VAL 24 N 1.03 3.64 -1.66 3.82 1.01 -0.41 -1.49 120.40 126.34 2ky9 s VAL 24 Ca -0.09 0.55 0.18 0.00 0.00 0.00 0.00 61.98 62.62 2ky9 s VAL 24 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2ky9 s VAL 24 CO -0.00 -0.94 0.93 0.35 0.00 0.00 0.00 175.10 175.43 2ky9 n THR 25 N 7.06 0.00 -3.65 3.92 -2.24 -0.53 -1.06 114.28 117.78 2ky9 n THR 25 Ca 0.16 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2ky9 n THR 25 Cb 0.49 1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -2.09 -0.57 -0.28 3.38 0.00 -0.58 -4.94 107.32 102.24 2ky9 s GLY 26 Ca 0.15 2.18 0.03 0.00 0.00 0.00 0.00 44.72 47.09 2ky9 s GLY 26 CO 0.46 2.11 -0.06 0.00 0.00 0.00 0.00 173.10 175.60 2ky9 s ALA 27 N 1.22 2.67 -0.12 3.20 0.00 -1.26 -1.45 121.76 126.02 2ky9 s ALA 27 Ca -0.07 -2.00 -0.02 0.00 0.00 0.00 0.00 51.96 49.87 2ky9 s ALA 27 Cb -0.05 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2ky9 s ALA 27 CO -0.13 -1.35 -0.06 0.71 0.00 0.00 0.00 175.76 174.94 2ky9 s TYR 28 N 1.04 2.97 -0.56 0.00 1.51 -0.60 -5.03 117.35 116.68 2ky9 s TYR 28 Ca -0.03 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2ky9 s TYR 28 Cb -0.20 -1.86 0.15 0.00 -0.11 0.00 0.00 41.96 39.93 2ky9 s TYR 28 CO -0.06 0.06 0.34 0.16 -1.11 0.00 0.00 175.55 174.94 2ky9 s ASP 29 N -0.02 4.27 0.33 2.29 -4.77 -1.26 -0.58 116.67 116.92 2ky9 s ASP 29 Ca 0.00 -3.24 0.05 0.00 -3.30 0.00 0.00 52.55 46.07 2ky9 s ASP 29 Cb -0.13 -1.50 -0.02 0.00 -1.09 0.00 0.00 42.92 40.17 2ky9 s ASP 29 CO 0.03 -0.19 0.19 1.07 0.70 0.00 0.00 175.17 176.98 2ky9 n THR 30 N 2.78 0.00 -2.42 2.11 5.66 -1.25 -5.03 114.28 116.13 2ky9 n THR 30 Ca 0.11 -2.14 -0.43 0.00 -3.05 0.00 0.00 64.05 58.55 2ky9 n THR 30 Cb 0.34 0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 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 -3.06 4.27 0.08 1.09 2.01 -1.26 -3.70 115.64 115.06 2ky9 s THR 31 Ca 0.27 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.82 2ky9 s THR 31 Cb 0.01 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2ky9 s THR 31 CO 0.19 -0.17 0.09 0.00 -0.69 0.00 0.00 174.62 174.05 2ky9 s ALA 32 N 3.59 3.60 0.02 7.40 0.00 -0.36 -0.96 121.76 135.04 2ky9 s ALA 32 Ca 0.55 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2ky9 s ALA 32 Cb -0.21 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2ky9 s ALA 32 CO 0.15 0.75 -0.15 0.71 0.00 0.00 0.00 175.76 177.22 2ky9 s TYR 33 N -1.41 1.36 -0.42 0.00 2.02 -0.05 -1.43 117.35 117.41 2ky9 s TYR 33 Ca 0.30 -0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 2ky9 s TYR 33 Cb -0.12 -0.84 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2ky9 s TYR 33 CO 0.23 0.02 0.38 0.08 -1.57 0.00 0.00 175.55 174.68 2ky9 s VAL 34 N -0.60 5.16 0.08 0.71 1.01 -0.81 -3.36 120.40 122.59 2ky9 s VAL 34 Ca 0.04 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2ky9 s VAL 34 Cb -0.07 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2ky9 s VAL 34 CO 0.00 -0.40 -0.21 0.68 0.00 0.00 0.00 175.10 175.18 2ky9 s VAL 35 N 1.94 1.70 -0.16 2.92 -7.23 -1.16 -0.71 120.40 117.70 2ky9 s VAL 35 Ca 0.09 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2ky9 s VAL 35 Cb -0.18 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2ky9 s VAL 35 CO 0.12 0.03 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.23 2ky9 s SER 36 N -1.67 3.61 0.06 4.85 0.15 -0.59 -0.72 113.70 119.39 2ky9 s SER 36 Ca 0.07 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.09 2ky9 s SER 36 Cb -0.10 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2ky9 s SER 36 CO 0.03 0.08 0.33 -0.72 1.20 0.00 0.00 173.24 174.16 2ky9 s TYR 37 N 0.85 -0.13 -0.26 3.44 1.13 -0.90 -0.72 117.35 120.77 2ky9 s TYR 37 Ca -0.05 -0.05 -0.08 0.00 -1.41 0.00 0.00 57.07 55.48 2ky9 s TYR 37 Cb -0.15 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 2ky9 s TYR 37 CO -0.01 -0.56 0.09 0.99 -2.51 0.00 0.00 175.55 173.56 2ky9 s THR 38 N -2.90 4.44 0.00 -3.49 2.01 -1.26 -1.70 115.64 112.75 2ky9 s THR 38 Ca -0.03 -0.17 -0.35 0.00 0.31 0.00 0.00 61.69 61.46 2ky9 s THR 38 Cb 0.00 -3.10 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 2ky9 s THR 38 CO -0.05 0.30 1.73 -2.65 -0.69 0.00 0.00 174.62 173.25 2ky9 n PRO 39 N 4.94 2.04 0.01 4.92 -0.02 -1.26 -4.68 135.00 140.96 2ky9 n PRO 39 Ca -0.16 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2ky9 n PRO 39 Cb 0.51 -2.54 0.14 0.00 -0.02 0.00 0.00 33.50 31.59 2ky9 n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ky9 n THR 40 N 4.31 1.61 0.69 3.45 -2.24 -0.82 -2.12 114.28 119.16 2ky9 n THR 40 Ca 0.20 0.42 0.07 0.00 -2.27 0.00 0.00 64.05 62.47 2ky9 n THR 40 Cb 0.28 -1.34 0.18 0.00 -2.10 0.00 0.00 70.33 67.35 2ky9 n THR 40 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ky9 n ASN 41 N -1.55 2.20 -0.71 3.42 3.02 -1.26 -4.88 115.26 115.50 2ky9 n ASN 41 Ca 0.01 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2ky9 n ASN 41 Cb 0.06 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ky9 n GLY 42 N 1.14 0.60 3.96 7.41 0.00 -0.93 -5.10 105.19 112.27 2ky9 n GLY 42 Ca 0.14 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2ky9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ky9 s GLY 43 N -2.69 1.28 0.18 -0.02 0.00 -0.90 -5.06 107.32 100.11 2ky9 s GLY 43 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 44.72 43.13 2ky9 s GLY 43 CO 0.00 -1.28 1.62 1.20 0.00 0.00 0.00 173.10 174.64 2ky9 s GLN 44 N -3.99 4.18 0.05 2.90 -0.21 -1.26 -4.26 119.66 117.08 2ky9 s GLN 44 Ca 0.35 2.45 -0.30 0.00 0.02 0.00 0.00 55.36 57.87 2ky9 s GLN 44 Cb -0.09 -3.13 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 2ky9 s GLN 44 CO 0.29 -0.65 1.69 0.50 -2.12 0.00 0.00 175.29 174.99 2ky9 s ARG 45 N 1.13 4.19 -0.39 2.91 3.52 -1.26 -4.55 118.95 124.49 2ky9 s ARG 45 Ca 0.71 2.35 -0.24 0.00 -0.13 0.00 0.00 55.73 58.42 2ky9 s ARG 45 Cb -0.46 -3.71 0.01 0.00 -1.56 0.00 0.00 34.95 29.24 2ky9 s ARG 45 CO 0.32 -0.78 0.82 0.08 -0.81 0.00 0.00 175.30 174.93 2ky9 s VAL 46 N 3.01 4.67 -0.02 7.11 1.01 -0.69 -4.93 120.40 130.57 2ky9 s VAL 46 Ca 0.75 0.84 -0.07 0.00 0.00 0.00 0.00 61.98 63.51 2ky9 s VAL 46 Cb -0.39 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 2ky9 s VAL 46 CO 0.33 -0.53 0.24 -1.81 0.00 0.00 0.00 175.10 173.33 2ky9 s ASP 47 N 1.94 6.49 -1.45 3.32 1.11 -1.26 -2.12 116.67 124.69 2ky9 s ASP 47 Ca 0.33 0.55 -0.06 0.00 0.18 0.00 0.00 52.55 53.54 2ky9 s ASP 47 Cb -0.12 -2.09 0.03 0.00 1.07 0.00 0.00 42.92 41.81 2ky9 s ASP 47 CO 0.19 0.29 0.57 1.41 1.18 0.00 0.00 175.17 178.81 2ky9 n HIS 48 N 1.33 -1.92 -1.65 4.23 8.25 -1.13 -4.88 115.22 119.45 2ky9 n HIS 48 Ca -0.13 0.51 -0.45 0.00 -0.26 0.00 0.00 57.72 57.39 2ky9 n HIS 48 Cb 0.53 -3.92 -0.04 0.00 1.12 0.00 0.00 29.99 27.68 2ky9 n HIS 48 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ky9 n HIS 49 N -4.30 2.34 -5.11 4.41 -0.00 0.10 -4.67 115.22 108.00 2ky9 n HIS 49 Ca -0.08 -0.19 -0.32 0.00 0.46 0.00 0.00 57.72 57.59 2ky9 n HIS 49 Cb 0.59 -2.74 -0.16 0.00 -0.12 0.00 0.00 29.99 27.56 2ky9 n HIS 49 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ky9 s LYS 50 N 4.67 3.02 0.20 1.57 1.02 -1.26 -2.99 119.74 125.96 2ky9 s LYS 50 Ca 0.93 -0.83 0.11 0.00 0.02 0.00 0.00 55.97 56.20 2ky9 s LYS 50 Cb -0.53 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2ky9 s LYS 50 CO 0.45 0.24 -0.21 -1.58 -0.92 0.00 0.00 175.35 173.34 2ky9 s TRP 51 N 0.21 2.37 0.09 3.18 0.52 -1.20 -4.82 118.94 119.28 2ky9 s TRP 51 Ca -0.13 -0.33 0.09 0.00 0.02 0.00 0.00 56.10 55.75 2ky9 s TRP 51 Cb -0.16 -1.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 2ky9 s TRP 51 CO 0.07 0.52 -0.24 0.14 0.02 0.00 0.00 176.95 177.46 2ky9 s VAL 52 N -1.76 1.97 0.43 4.03 -7.23 -1.21 -4.06 120.40 112.57 2ky9 s VAL 52 Ca 0.22 -1.54 0.08 0.00 -1.81 0.00 0.00 61.98 58.93 2ky9 s VAL 52 Cb -0.08 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2ky9 s VAL 52 CO 0.11 0.10 0.49 0.27 -0.31 0.00 0.00 175.10 175.77 2ky9 s ILE 53 N -1.01 2.81 0.42 -0.62 -4.36 -1.26 -0.87 121.20 116.31 2ky9 s ILE 53 Ca 0.10 -1.15 0.15 0.00 -0.26 0.00 0.00 60.65 59.49 2ky9 s ILE 53 Cb -0.10 -2.96 0.35 0.00 1.25 0.00 0.00 42.46 41.00 2ky9 s ILE 53 CO 0.04 0.00 1.92 -0.61 0.24 0.00 0.00 174.94 176.53 2ky9 h GLN 54 N 0.79 0.42 -0.00 0.37 4.15 -1.43 -2.16 115.11 117.24 2ky9 h GLN 54 Ca -0.40 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2ky9 h GLN 54 Cb 1.27 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2ky9 h GLN 54 CO 0.50 0.28 -0.01 0.39 -1.93 0.00 0.00 178.83 178.05 2ky9 n GLU 55 N -4.48 1.04 0.17 1.69 -0.58 -1.26 -3.55 120.64 113.67 2ky9 n GLU 55 Ca 0.14 -0.21 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 2ky9 n GLU 55 Cb 0.52 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 30.15 2ky9 n GLU 55 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2ky9 h GLU 56 N 0.52 0.00 -6.30 3.49 4.57 -1.77 -3.47 114.58 111.61 2ky9 h GLU 56 Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 2ky9 h GLU 56 Cb 0.16 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 28.46 2ky9 h GLU 56 CO 0.00 0.00 -0.87 0.42 -1.18 0.00 0.00 179.01 177.38 2ky9 s ILE 57 N -3.17 1.83 -0.08 2.32 1.01 -1.23 -2.11 121.20 119.76 2ky9 s ILE 57 Ca 0.08 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 2ky9 s ILE 57 Cb 0.08 -1.52 -0.23 0.00 0.01 0.00 0.00 42.46 40.79 2ky9 s ILE 57 CO 0.64 0.50 1.00 0.07 0.00 0.00 0.00 174.94 177.15 2ky9 h LYS 58 N 5.52 0.01 0.00 2.79 2.10 -1.87 -3.35 116.57 121.76 2ky9 h LYS 58 Ca -0.41 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2ky9 h LYS 58 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2ky9 h LYS 58 CO 0.47 0.78 0.00 -0.25 -2.00 0.00 0.00 179.45 178.45 2ky9 n ASP 59 N -4.71 0.00 0.44 7.07 8.00 -1.26 -2.82 116.55 123.27 2ky9 n ASP 59 Ca -0.09 0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 2ky9 n ASP 59 Cb 0.38 -0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ky9 h ALA 60 N 2.60 -1.12 -2.76 2.24 0.00 -1.88 -3.48 119.26 114.86 2ky9 h ALA 60 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 2ky9 h ALA 60 Cb 0.11 0.43 0.02 0.00 0.00 0.00 0.00 17.79 18.35 2ky9 h ALA 60 CO 0.00 -1.10 -0.41 0.41 0.00 0.00 0.00 179.25 178.15 2ky9 n GLY 61 N -1.43 -0.21 2.29 0.00 0.00 -1.13 -2.36 105.19 102.36 2ky9 n GLY 61 Ca -0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 2ky9 n GLY 61 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ky9 n ASP 62 N -1.08 -1.99 -4.99 1.61 5.68 -1.26 -4.99 116.55 109.53 2ky9 n ASP 62 Ca -0.13 0.34 -0.19 0.00 -0.50 0.00 0.00 54.79 54.31 2ky9 n ASP 62 Cb 0.61 -1.84 -0.00 0.00 -1.14 0.00 0.00 41.12 38.74 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ky9 s LYS 63 N -4.56 3.05 -0.50 0.11 -2.85 -0.99 -5.06 119.74 108.92 2ky9 s LYS 63 Ca 0.00 -1.07 -0.28 0.00 -1.00 0.00 0.00 55.97 53.62 2ky9 s LYS 63 Cb 0.00 -2.80 0.03 0.00 -2.06 0.00 0.00 37.83 33.00 2ky9 s LYS 63 CO 0.00 -0.01 1.11 0.99 0.10 0.00 0.00 175.35 177.55 2ky9 s THR 64 N -2.22 4.20 -0.01 3.79 2.01 -1.26 -4.90 115.64 117.26 2ky9 s THR 64 Ca 0.47 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 2ky9 s THR 64 Cb -0.09 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 67.77 2ky9 s THR 64 CO 0.31 -1.07 1.03 -0.76 -0.69 0.00 0.00 174.62 173.44 2ky9 s LEU 65 N 4.46 4.35 0.01 4.42 1.43 -1.26 -5.07 118.68 127.01 2ky9 s LEU 65 Ca 0.45 1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 2ky9 s LEU 65 Cb -0.08 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2ky9 s LEU 65 CO 0.29 -0.33 0.24 -1.10 0.23 0.00 0.00 176.35 175.68 2ky9 s GLN 66 N 1.21 3.53 0.08 1.70 -1.52 -1.26 -4.77 119.66 118.63 2ky9 s GLN 66 Ca 0.53 -0.16 -0.37 0.00 -1.95 0.00 0.00 55.36 53.41 2ky9 s GLN 66 Cb -0.22 -3.08 -0.17 0.00 -0.22 0.00 0.00 33.01 29.32 2ky9 s GLN 66 CO 0.27 0.65 1.30 -2.30 -0.25 0.00 0.00 175.29 174.96 2ky9 n PRO 67 N 1.03 0.99 0.00 2.91 -0.02 -1.26 -2.18 135.00 136.47 2ky9 n PRO 67 Ca -0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2ky9 n PRO 67 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.37 1.13 3.77 -1.23 0.00 -0.44 -5.04 105.19 105.76 2ky9 n GLY 68 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2ky9 n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ky9 s ASP 69 N -1.80 7.05 -0.16 1.61 2.15 -0.93 -4.87 116.67 119.72 2ky9 s ASP 69 Ca 0.00 2.06 -0.05 0.00 0.43 0.00 0.00 52.55 54.99 2ky9 s ASP 69 Cb 0.00 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2ky9 s ASP 69 CO 0.00 -0.29 -0.00 -1.10 -0.17 0.00 0.00 175.17 173.61 2ky9 s GLN 70 N -2.06 3.76 0.35 4.34 -1.52 -1.26 -1.56 119.66 121.70 2ky9 s GLN 70 Ca 0.52 -0.45 0.04 0.00 -1.95 0.00 0.00 55.36 53.52 2ky9 s GLN 70 Cb -0.24 -3.02 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 2ky9 s GLN 70 CO 0.31 0.27 0.15 0.14 -0.25 0.00 0.00 175.29 175.91 2ky9 s VAL 71 N 0.31 0.47 -0.06 1.09 -7.23 -0.72 -4.99 120.40 109.28 2ky9 s VAL 71 Ca -0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2ky9 s VAL 71 Cb -0.13 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2ky9 s VAL 71 CO 0.02 0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.97 2ky9 s ILE 72 N -3.42 2.46 -0.24 -0.62 -1.09 -1.26 -1.18 121.20 115.85 2ky9 s ILE 72 Ca 0.32 -0.92 -0.21 0.00 -2.23 0.00 0.00 60.65 57.60 2ky9 s ILE 72 Cb 0.04 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2ky9 s ILE 72 CO 0.17 0.57 0.67 -0.76 -1.23 0.00 0.00 174.94 174.36 2ky9 s LEU 73 N -0.26 4.08 0.00 2.97 1.43 -0.81 -3.09 118.68 123.00 2ky9 s LEU 73 Ca 0.00 0.79 0.25 0.00 -1.03 0.00 0.00 54.13 54.14 2ky9 s LEU 73 Cb -0.13 -2.92 0.67 0.00 0.03 0.00 0.00 46.19 43.84 2ky9 s LEU 73 CO 0.03 -0.38 1.53 -0.62 0.23 0.00 0.00 176.35 177.14 2ky9 n GLU 74 N 5.63 1.97 -2.82 1.70 1.02 -0.90 -1.34 120.64 125.90 2ky9 n GLU 74 Ca 0.00 -1.43 -0.28 0.00 -0.02 0.00 0.00 57.16 55.44 2ky9 n GLU 74 Cb 0.49 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ky9 s ALA 75 N -1.91 3.43 -0.12 0.62 0.00 -1.23 -4.88 121.76 117.67 2ky9 s ALA 75 Ca 0.34 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2ky9 s ALA 75 Cb 0.20 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 2ky9 s ALA 75 CO 0.31 -0.16 -0.20 -1.54 0.00 0.00 0.00 175.76 174.17 2ky9 s SER 76 N -3.71 3.40 0.00 0.00 1.04 -1.26 -2.41 113.70 110.76 2ky9 s SER 76 Ca 0.48 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2ky9 s SER 76 Cb -0.10 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2ky9 s SER 76 CO 0.39 0.14 0.00 1.41 0.98 0.00 0.00 173.24 176.16 2ky9 n HIS 77 N 3.64 -0.05 -3.59 5.02 8.25 -1.26 -5.06 115.22 122.17 2ky9 n HIS 77 Ca -0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.21 2ky9 n HIS 77 Cb 0.53 0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.79 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 -1.78 0.65 -1.72 -0.41 0.00 -1.26 -5.10 117.12 107.49 2ky9 n MET 78 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 57.70 55.79 2ky9 n MET 78 Cb 0.00 1.73 -0.03 0.00 0.00 0.00 0.00 33.22 34.92 2ky9 n MET 78 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2ky9 s LYS 79 N -2.17 4.14 -0.10 3.17 -0.14 -1.26 -2.77 119.74 120.61 2ky9 s LYS 79 Ca 0.12 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.31 2ky9 s LYS 79 Cb -0.02 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.42 2ky9 s LYS 79 CO 0.09 -0.86 0.00 0.41 -0.76 0.00 0.00 175.35 174.23 2ky9 n GLY 80 N 4.28 0.49 0.29 -3.33 0.00 -1.26 -4.63 105.19 101.03 2ky9 n GLY 80 Ca 0.18 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2ky9 n GLY 80 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 81 N 0.50 -0.65 -6.54 1.61 -1.53 -1.82 -2.18 114.93 104.33 2ky9 h MET 81 Ca -0.02 0.04 -0.53 0.00 -3.44 0.00 0.00 59.70 55.76 2ky9 h MET 81 Cb 0.12 0.15 0.03 0.00 -0.55 0.00 0.00 31.60 31.35 2ky9 h MET 81 CO 0.03 -0.41 0.80 0.21 0.14 0.00 0.00 176.91 177.68 2ky9 s LYS 82 N -3.85 4.28 0.00 0.39 2.20 -1.01 -2.92 119.74 118.82 2ky9 s LYS 82 Ca -0.11 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 2ky9 s LYS 82 Cb 0.01 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2ky9 s LYS 82 CO 0.33 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 2ky9 n GLY 83 N 3.61 0.19 3.81 5.54 0.00 -0.45 -4.93 105.19 112.97 2ky9 n GLY 83 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 3.07 -0.22 4.61 0.00 -1.15 -4.86 121.76 121.16 2ky9 s ALA 84 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 2ky9 s ALA 84 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2ky9 s ALA 84 CO 0.00 0.11 0.61 0.99 0.00 0.00 0.00 175.76 177.48 2ky9 s THR 85 N -2.03 5.02 -0.06 0.00 2.01 -1.26 -1.93 115.64 117.39 2ky9 s THR 85 Ca 0.59 1.13 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 2ky9 s THR 85 Cb -0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2ky9 s THR 85 CO 0.16 0.09 0.03 0.00 -0.69 0.00 0.00 174.62 174.21 2ky9 s ALA 86 N 2.08 3.40 -0.34 7.40 0.00 -0.32 -4.24 121.76 129.75 2ky9 s ALA 86 Ca 0.27 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2ky9 s ALA 86 Cb -0.16 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2ky9 s ALA 86 CO 0.10 0.62 0.29 -2.00 0.00 0.00 0.00 175.76 174.77 2ky9 s GLU 87 N -1.16 3.55 -0.71 0.00 2.56 0.10 -1.75 118.70 121.29 2ky9 s GLU 87 Ca 0.16 -0.53 -0.26 0.00 0.00 0.00 0.00 54.97 54.35 2ky9 s GLU 87 Cb -0.12 -3.80 -0.04 0.00 2.00 0.00 0.00 34.13 32.18 2ky9 s GLU 87 CO 0.06 -0.46 1.93 0.42 -0.56 0.00 0.00 175.26 176.65 2ky9 s ILE 88 N 1.85 3.36 0.17 -3.70 -1.09 -0.60 -1.54 121.20 119.65 2ky9 s ILE 88 Ca 0.09 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 2ky9 s ILE 88 Cb -0.17 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.74 2ky9 s ILE 88 CO 0.11 -0.86 1.47 0.44 -1.23 0.00 0.00 174.94 174.87 2ky9 h ASP 89 N 13.83 0.68 -4.85 3.58 3.32 -1.26 -1.16 116.42 130.56 2ky9 h ASP 89 Ca -0.13 -0.38 0.12 0.00 0.02 0.00 0.00 57.03 56.67 2ky9 h ASP 89 Cb 1.11 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.33 2ky9 h ASP 89 CO 1.21 1.11 0.48 -0.55 -1.72 0.00 0.00 179.24 179.76 2ky9 s SER 90 N -6.94 -0.32 -0.03 6.45 0.15 -1.12 -4.77 113.70 107.10 2ky9 s SER 90 Ca -0.08 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.50 2ky9 s SER 90 Cb 0.11 0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2ky9 s SER 90 CO 0.85 -0.72 -0.13 0.00 1.20 0.00 0.00 173.24 174.45 2ky9 s ALA 91 N -3.20 1.19 -0.01 5.45 0.00 -1.26 -1.93 121.76 122.00 2ky9 s ALA 91 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2ky9 s ALA 91 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2ky9 s ALA 91 CO -0.06 0.21 -0.01 -2.00 0.00 0.00 0.00 175.76 173.90 2ky9 s GLU 92 N 0.10 0.17 -0.79 0.00 2.12 -0.52 -5.03 118.70 114.76 2ky9 s GLU 92 Ca -0.03 0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.12 2ky9 s GLU 92 Cb -0.10 -0.27 0.11 0.00 0.26 0.00 0.00 34.13 34.13 2ky9 s GLU 92 CO 0.01 -0.05 1.00 0.15 -0.54 0.00 0.00 175.26 175.84 2ky9 s LYS 93 N 0.47 3.35 0.07 4.30 -0.14 -1.26 -1.22 119.74 125.31 2ky9 s LYS 93 Ca -0.04 -1.40 0.02 0.00 -1.36 0.00 0.00 55.97 53.19 2ky9 s LYS 93 Cb -0.07 -4.58 -0.03 0.00 -1.68 0.00 0.00 37.83 31.47 2ky9 s LYS 93 CO -0.01 -1.75 -0.07 -0.08 -0.76 0.00 0.00 175.35 172.68 2ky9 s THR 94 N 3.10 0.60 -0.32 2.17 -1.32 -1.24 -5.02 115.64 113.60 2ky9 s THR 94 Ca 0.26 -1.50 -0.23 0.00 -1.21 0.00 0.00 61.69 59.01 2ky9 s THR 94 Cb -0.12 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2ky9 s THR 94 CO -0.00 -0.63 0.74 -0.89 -2.21 0.00 0.00 174.62 171.63 2ky9 s THR 95 N -2.51 4.82 -0.10 5.08 2.01 -1.26 -3.90 115.64 119.78 2ky9 s THR 95 Ca 0.01 1.03 -0.00 0.00 0.31 0.00 0.00 61.69 63.03 2ky9 s THR 95 Cb -0.02 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2ky9 s THR 95 CO -0.02 -0.26 -0.09 0.68 -0.69 0.00 0.00 174.62 174.24 2ky9 s VAL 96 N 2.89 3.51 0.09 3.82 -7.23 0.25 -2.90 120.40 120.83 2ky9 s VAL 96 Ca 0.30 -0.53 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 2ky9 s VAL 96 Cb -0.14 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2ky9 s VAL 96 CO 0.13 0.55 -0.13 -0.31 -0.31 0.00 0.00 175.10 175.04 2ky9 s TYR 97 N -0.22 2.68 -0.37 2.82 1.51 0.14 -1.56 117.35 122.35 2ky9 s TYR 97 Ca 0.02 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 2ky9 s TYR 97 Cb -0.13 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2ky9 s TYR 97 CO 0.03 0.39 0.22 1.41 -1.11 0.00 0.00 175.55 176.48 2ky9 s MET 98 N -1.99 2.98 0.08 -0.62 -2.45 -0.53 -3.67 119.30 113.11 2ky9 s MET 98 Ca 0.19 -0.98 0.08 0.00 -1.25 0.00 0.00 55.69 53.73 2ky9 s MET 98 Cb -0.11 -3.77 -0.03 0.00 1.25 0.00 0.00 34.83 32.17 2ky9 s MET 98 CO 0.11 -0.65 -0.22 0.14 1.05 0.00 0.00 175.02 175.45 2ky9 s VAL 99 N 1.60 1.80 -0.28 10.11 -7.23 -0.93 -1.45 120.40 124.03 2ky9 s VAL 99 Ca 0.03 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 2ky9 s VAL 99 Cb -0.19 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2ky9 s VAL 99 CO 0.08 0.09 0.11 -1.81 -0.31 0.00 0.00 175.10 173.26 2ky9 s ASP 100 N -1.60 5.36 0.29 4.85 1.11 -0.55 -0.45 116.67 125.68 2ky9 s ASP 100 Ca 0.08 -0.38 0.03 0.00 0.18 0.00 0.00 52.55 52.46 2ky9 s ASP 100 Cb -0.10 -1.96 -0.06 0.00 1.07 0.00 0.00 42.92 41.87 2ky9 s ASP 100 CO 0.03 -0.12 0.06 -0.72 1.18 0.00 0.00 175.17 175.60 2ky9 s TYR 101 N 1.61 1.76 -0.09 4.23 1.13 -0.27 -0.86 117.35 124.86 2ky9 s TYR 101 Ca 0.05 -1.02 0.03 0.00 -1.41 0.00 0.00 57.07 54.73 2ky9 s TYR 101 Cb -0.16 -1.10 -0.01 0.00 -1.10 0.00 0.00 41.96 39.59 2ky9 s TYR 101 CO 0.05 -0.10 -0.19 0.99 -2.51 0.00 0.00 175.55 173.79 2ky9 s THR 102 N -3.46 2.59 0.06 -3.49 2.01 -1.19 -1.91 115.64 110.26 2ky9 s THR 102 Ca 0.35 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 2ky9 s THR 102 Cb 0.08 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 2ky9 s THR 102 CO 0.14 0.56 1.26 -0.55 -0.69 0.00 0.00 174.62 175.33 2ky9 s SER 103 N 0.01 7.00 0.16 3.53 0.15 -0.65 -4.48 113.70 119.42 2ky9 s SER 103 Ca -0.06 2.08 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 2ky9 s SER 103 Cb -0.15 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2ky9 s SER 103 CO 0.05 -0.54 1.62 0.71 1.20 0.00 0.00 173.24 176.28 2ky9 h THR 104 N 4.52 1.26 0.00 6.45 1.35 -1.47 -1.59 112.91 123.43 2ky9 h THR 104 Ca -0.41 -1.08 -0.13 0.00 -0.55 0.00 0.00 66.41 64.24 2ky9 h THR 104 Cb 1.21 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2ky9 h THR 104 CO 0.84 0.38 -0.72 0.71 -0.25 0.00 0.00 175.52 176.48 2ky9 h THR 105 N 0.80 1.29 0.00 6.82 1.35 -1.87 -3.40 112.91 117.90 2ky9 h THR 105 Ca 0.15 -2.25 -0.11 0.00 -0.55 0.00 0.00 66.41 63.65 2ky9 h THR 105 Cb 0.51 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 2ky9 h THR 105 CO 0.02 0.44 -1.18 0.28 -0.25 0.00 0.00 175.52 174.84 2ky9 h SER 106 N -1.00 0.00 0.00 5.36 0.02 -1.90 -3.48 113.55 112.55 2ky9 h SER 106 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2ky9 h SER 106 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ky9 h SER 106 CO -0.12 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2ky9 n GLY 107 N 1.31 0.64 3.72 -3.77 0.00 -0.60 -4.99 105.19 101.51 2ky9 n GLY 107 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2ky9 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ky9 s GLU 108 N -0.26 4.32 -1.08 1.61 0.41 -1.26 -4.61 118.70 117.83 2ky9 s GLU 108 Ca 0.00 2.12 -0.19 0.00 -0.41 0.00 0.00 54.97 56.49 2ky9 s GLU 108 Cb 0.00 -3.21 0.10 0.00 -1.78 0.00 0.00 34.13 29.24 2ky9 s GLU 108 CO 0.00 -0.41 1.40 0.15 -0.49 0.00 0.00 175.26 175.92 2ky9 s LYS 109 N 0.66 3.77 -0.22 1.61 1.02 -1.26 -1.63 119.74 123.68 2ky9 s LYS 109 Ca 0.63 -1.76 -0.09 0.00 0.02 0.00 0.00 55.97 54.77 2ky9 s LYS 109 Cb -0.38 -5.20 -0.04 0.00 -0.52 0.00 0.00 37.83 31.69 2ky9 s LYS 109 CO 0.34 -2.00 0.10 0.08 -0.92 0.00 0.00 175.35 172.94 2ky9 s VAL 110 N 3.49 4.88 0.18 3.17 1.01 -0.80 -5.02 120.40 127.31 2ky9 s VAL 110 Ca 0.43 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2ky9 s VAL 110 Cb -0.01 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2ky9 s VAL 110 CO -0.04 0.38 -0.19 -1.59 0.00 0.00 0.00 175.10 173.66 2ky9 s LYS 111 N 0.94 1.70 -1.82 2.72 0.00 -1.26 -1.12 119.74 120.91 2ky9 s LYS 111 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 55.97 54.62 2ky9 s LYS 111 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.72 2ky9 s LYS 111 CO 0.03 0.42 0.00 0.09 0.00 0.00 0.00 175.35 175.89 2ky9 n ASN 112 N 0.29 -5.78 -4.72 0.03 5.03 -0.79 -4.92 115.26 104.40 2ky9 n ASN 112 Ca -0.13 0.06 -0.42 0.00 0.87 0.00 0.00 54.58 54.97 2ky9 n ASN 112 Cb 0.55 -4.84 -0.03 0.00 -1.02 0.00 0.00 39.78 34.45 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2ky9 s HIS 113 N -2.98 3.16 0.01 3.10 2.46 0.41 -4.57 115.29 116.87 2ky9 s HIS 113 Ca 0.00 0.80 -0.28 0.00 0.47 0.00 0.00 55.06 56.05 2ky9 s HIS 113 Cb 0.00 -3.80 0.08 0.00 -0.13 0.00 0.00 32.58 28.73 2ky9 s HIS 113 CO 0.00 -2.88 0.73 -1.59 -2.47 0.00 0.00 174.74 168.53 2ky9 s LYS 114 N 1.09 1.03 -0.16 2.88 -2.85 -1.26 -2.18 119.74 118.29 2ky9 s LYS 114 Ca 0.67 -0.08 -0.07 0.00 -1.00 0.00 0.00 55.97 55.49 2ky9 s LYS 114 Cb -0.40 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 2ky9 s LYS 114 CO 0.31 -0.39 0.07 -1.58 0.10 0.00 0.00 175.35 173.86 2ky9 s TRP 115 N -2.31 3.31 -0.01 1.78 0.52 -1.26 -4.90 118.94 116.07 2ky9 s TRP 115 Ca -0.03 0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.33 2ky9 s TRP 115 Cb -0.01 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 2ky9 s TRP 115 CO -0.02 0.31 -0.17 0.14 0.02 0.00 0.00 176.95 177.23 2ky9 s VAL 116 N -0.04 1.34 0.59 4.03 -7.23 -1.24 -3.26 120.40 114.58 2ky9 s VAL 116 Ca 0.07 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2ky9 s VAL 116 Cb -0.12 -1.12 0.07 0.00 0.56 0.00 0.00 36.38 35.76 2ky9 s VAL 116 CO 0.01 0.38 0.81 0.42 -0.31 0.00 0.00 175.10 176.41 2ky9 s THR 117 N -0.37 2.48 0.42 5.32 -4.23 -1.26 -0.69 115.64 117.31 2ky9 s THR 117 Ca 0.06 -0.74 0.40 0.00 -1.18 0.00 0.00 61.69 60.23 2ky9 s THR 117 Cb -0.07 -2.74 0.43 0.00 1.34 0.00 0.00 72.50 71.45 2ky9 s THR 117 CO -0.01 0.00 2.21 -0.08 -0.54 0.00 0.00 174.62 176.20 2ky9 h GLU 118 N -0.01 0.00 -0.13 3.99 4.81 -1.87 -1.87 114.58 119.50 2ky9 h GLU 118 Ca -0.38 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 2ky9 h GLU 118 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2ky9 h GLU 118 CO 0.46 0.00 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.79 2ky9 h ASP 119 N 0.00 0.40 0.18 1.04 5.19 -1.94 -3.04 116.42 118.25 2ky9 h ASP 119 Ca 0.00 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2ky9 h ASP 119 Cb 0.22 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2ky9 h ASP 119 CO 0.00 0.84 -0.08 -0.62 -3.12 0.00 0.00 179.24 176.26 2ky9 n GLU 120 N -3.96 1.03 -4.38 3.56 4.71 -0.72 -4.79 120.64 116.09 2ky9 n GLU 120 Ca -0.02 -0.42 -0.20 0.00 -0.01 0.00 0.00 57.16 56.51 2ky9 n GLU 120 Cb 0.56 -1.49 -0.10 0.00 -1.01 0.00 0.00 31.44 29.40 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ky9 s LEU 121 N -2.26 2.55 0.01 -4.62 1.43 -1.11 -2.90 118.68 111.78 2ky9 s LEU 121 Ca 0.34 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2ky9 s LEU 121 Cb 0.21 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 2ky9 s LEU 121 CO 0.42 -0.16 0.00 -0.44 0.23 0.00 0.00 176.35 176.40 2ky9 s SER 122 N -3.38 0.14 0.98 2.29 0.01 -0.41 -4.80 113.70 108.53 2ky9 s SER 122 Ca 0.25 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 2ky9 s SER 122 Cb -0.01 0.09 0.16 0.00 0.21 0.00 0.00 66.02 66.48 2ky9 s SER 122 CO 0.09 -0.22 0.99 0.00 0.41 0.00 0.00 173.24 174.51 2ky9 n ALA 123 N 2.03 -1.58 -1.54 1.44 0.00 -1.26 0.18 120.51 119.78 2ky9 n ALA 123 Ca -0.20 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 2ky9 n ALA 123 Cb 0.57 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 2ky9 n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ky9 n LYS 124 N -4.02 0.72 -4.70 0.00 3.00 -0.62 -3.76 118.16 108.79 2ky9 n LYS 124 Ca 0.09 -0.09 -0.31 0.00 -0.00 0.00 0.00 58.31 58.01 2ky9 n LYS 124 Cb 0.53 -2.96 -0.09 0.00 0.00 0.00 0.00 35.03 32.51 2ky9 n LYS 124 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2ky9 s LEU 125 N 11.39 2.46 0.62 3.14 2.96 -1.26 -4.97 118.68 133.02 2ky9 s LEU 125 Ca 1.07 -1.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 2ky9 s LEU 125 Cb -0.44 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 2ky9 s LEU 125 CO 0.31 -0.72 1.09 -0.70 -1.32 0.00 0.00 176.35 175.01 2ky9 s GLU 126 N -3.82 3.05 0.07 1.98 2.56 -1.26 -4.95 118.70 116.34 2ky9 s GLU 126 Ca 0.17 1.36 0.10 0.00 0.00 0.00 0.00 54.97 56.59 2ky9 s GLU 126 Cb 0.05 -1.99 0.46 0.00 2.00 0.00 0.00 34.13 34.65 2ky9 s GLU 126 CO 0.09 -1.05 1.31 0.72 -0.56 0.00 0.00 175.26 175.77 2ky9 n HIS 127 N -2.13 0.19 -2.00 5.30 8.25 -1.26 -4.97 115.22 118.60 2ky9 n HIS 127 Ca 0.10 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2ky9 n HIS 127 Cb 0.52 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2ky9 n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ky9 n HIS 128 N -1.69 -2.03 0.79 4.41 1.44 -1.26 -4.80 115.22 112.09 2ky9 n HIS 128 Ca 0.01 1.21 0.00 0.00 -2.01 0.00 0.00 57.72 56.93 2ky9 n HIS 128 Cb 0.08 -2.03 0.00 0.00 0.12 0.00 0.00 29.99 28.16 2ky9 n HIS 128 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2ky9 n HIS 129 N 1.85 0.00 -3.15 -1.40 1.44 -1.26 -4.43 115.22 108.27 2ky9 n HIS 129 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 2ky9 n HIS 129 Cb 0.00 -0.08 -0.01 0.00 0.12 0.00 0.00 29.99 30.03 2ky9 n HIS 129 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2ky9 s HIS 130 N -1.02 -1.40 -0.07 -1.40 5.65 -1.26 -5.18 115.29 110.61 2ky9 s HIS 130 Ca 0.00 1.25 -0.30 0.00 0.25 0.00 0.00 55.06 56.26 2ky9 s HIS 130 Cb 0.00 0.40 0.10 0.00 -1.18 0.00 0.00 32.58 31.90 2ky9 s HIS 130 CO 0.00 -0.78 0.83 -1.58 -0.65 0.00 0.00 174.74 172.56 2ky9 s HIS 131 N 2.88 -0.49 -2.00 3.88 5.04 -1.26 -5.25 115.29 118.08 2ky9 s HIS 131 Ca 0.15 0.76 0.16 0.00 -1.54 0.00 0.00 55.06 54.58 2ky9 s HIS 131 Cb -0.12 0.45 0.13 0.00 0.04 0.00 0.00 32.58 33.08 2ky9 s HIS 131 CO -0.21 -0.51 1.01 0.72 -2.34 0.00 0.00 174.74 173.41