#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 2.07 0.25 3.17 -0.14 -1.26 -5.03 119.74 118.79 2ky9 s LYS 2 Ca 0.00 -2.25 -0.30 0.00 -1.36 0.00 0.00 55.97 52.06 2ky9 s LYS 2 Cb 0.00 -1.54 -0.10 0.00 -1.68 0.00 0.00 37.83 34.51 2ky9 s LYS 2 CO 0.00 -0.22 1.35 0.08 -0.76 0.00 0.00 175.35 175.80 2ky9 s VAL 3 N -2.82 2.93 0.00 3.17 1.01 -1.26 -2.82 120.40 120.60 2ky9 s VAL 3 Ca 0.20 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2ky9 s VAL 3 Cb 0.06 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2ky9 s VAL 3 CO 0.10 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2ky9 n GLY 4 N 1.93 1.13 3.79 4.51 0.00 -0.25 -5.02 105.19 111.28 2ky9 n GLY 4 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.77 7.29 -0.22 1.61 0.15 -1.13 -4.83 113.70 113.81 2ky9 s SER 5 Ca 0.00 1.63 -0.20 0.00 0.70 0.00 0.00 55.95 58.08 2ky9 s SER 5 Cb 0.00 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2ky9 s SER 5 CO 0.00 0.11 0.58 -1.10 1.20 0.00 0.00 173.24 174.03 2ky9 s GLN 6 N -1.56 4.16 0.16 5.44 1.11 -1.26 -1.38 119.66 126.32 2ky9 s GLN 6 Ca 0.41 0.50 0.10 0.00 0.01 0.00 0.00 55.36 56.37 2ky9 s GLN 6 Cb -0.21 -3.60 -0.04 0.00 -1.01 0.00 0.00 33.01 28.15 2ky9 s GLN 6 CO 0.25 -0.28 -0.22 0.14 0.01 0.00 0.00 175.29 175.18 2ky9 s VAL 7 N 2.06 2.08 -0.23 1.09 -7.23 -0.28 -3.68 120.40 114.22 2ky9 s VAL 7 Ca 0.26 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2ky9 s VAL 7 Cb -0.16 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2ky9 s VAL 7 CO 0.09 -0.15 0.08 -0.63 -0.31 0.00 0.00 175.10 174.19 2ky9 s ILE 8 N -1.64 4.60 -0.08 -0.62 -1.09 0.31 -0.72 121.20 121.96 2ky9 s ILE 8 Ca 0.16 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 2ky9 s ILE 8 Cb -0.08 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 2ky9 s ILE 8 CO 0.08 0.37 1.13 -0.63 -1.23 0.00 0.00 174.94 174.66 2ky9 s ILE 9 N 1.16 4.46 -0.02 2.92 1.01 -0.70 -1.32 121.20 128.70 2ky9 s ILE 9 Ca 0.05 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.44 2ky9 s ILE 9 Cb -0.14 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2ky9 s ILE 9 CO 0.04 -0.00 -0.03 -1.13 0.00 0.00 0.00 174.94 173.82 2ky9 h ASN 10 N 7.32 0.00 -2.83 3.58 -1.24 -1.46 -0.44 115.58 120.51 2ky9 h ASN 10 Ca -0.33 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.05 2ky9 h ASN 10 Cb 1.15 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.15 2ky9 h ASN 10 CO 0.87 0.12 -0.44 -0.89 -1.29 0.00 0.00 177.43 175.80 2ky9 s THR 11 N -1.19 5.38 0.01 -3.57 2.01 -1.10 -4.43 115.64 112.75 2ky9 s THR 11 Ca -0.02 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 2ky9 s THR 11 Cb 0.00 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 69.04 2ky9 s THR 11 CO 0.03 0.38 0.63 -0.94 -0.69 0.00 0.00 174.62 174.04 2ky9 s SER 12 N -1.71 -0.60 -0.03 3.53 1.04 -1.26 -4.88 113.70 109.78 2ky9 s SER 12 Ca 0.26 0.48 -0.06 0.00 0.48 0.00 0.00 55.95 57.12 2ky9 s SER 12 Cb -0.13 0.54 -0.28 0.00 0.10 0.00 0.00 66.02 66.25 2ky9 s SER 12 CO 0.16 -0.70 0.71 0.45 0.98 0.00 0.00 173.24 174.84 2ky9 h HIS 13 N 2.78 0.53 -3.37 5.02 3.86 -1.98 -3.46 115.15 118.53 2ky9 h HIS 13 Ca -0.29 -0.39 -0.55 0.00 -1.16 0.00 0.00 60.37 57.98 2ky9 h HIS 13 Cb 1.19 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.59 2ky9 h HIS 13 CO 0.35 1.52 0.26 -1.64 0.86 0.00 0.00 177.93 179.28 2ky9 s MET 14 N -2.59 4.47 0.46 2.45 -1.94 -1.26 -4.98 119.30 115.91 2ky9 s MET 14 Ca -0.13 1.14 0.13 0.00 -1.71 0.00 0.00 55.69 55.13 2ky9 s MET 14 Cb 0.06 -3.47 1.06 0.00 2.01 0.00 0.00 34.83 34.50 2ky9 s MET 14 CO 0.84 -0.04 2.05 1.57 -0.01 0.00 0.00 175.02 179.43 2ky9 h LYS 15 N 6.85 0.10 -0.00 2.03 5.09 -1.97 -1.89 116.57 126.78 2ky9 h LYS 15 Ca -0.39 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.33 2ky9 h LYS 15 Cb 1.20 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.51 2ky9 h LYS 15 CO 0.77 0.16 -0.37 0.41 -2.09 0.00 0.00 179.45 178.32 2ky9 n GLY 16 N -1.27 -1.20 0.08 0.07 0.00 -1.26 -3.91 105.19 97.71 2ky9 n GLY 16 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 2ky9 n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 17 N 0.17 0.00 -6.25 1.61 4.05 -1.71 -3.06 114.93 109.74 2ky9 h MET 17 Ca 0.00 0.00 -0.55 0.00 -0.28 0.00 0.00 59.70 58.87 2ky9 h MET 17 Cb 0.49 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2ky9 h MET 17 CO 0.00 0.75 1.10 0.21 0.23 0.00 0.00 176.91 179.19 2ky9 s LYS 18 N -2.76 4.08 0.00 0.39 2.20 -1.19 -2.30 119.74 120.16 2ky9 s LYS 18 Ca 0.00 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2ky9 s LYS 18 Cb 0.09 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2ky9 s LYS 18 CO 0.81 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2ky9 n GLY 19 N 4.26 0.81 3.83 5.54 0.00 -0.17 -5.04 105.19 114.41 2ky9 n GLY 19 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.11 3.05 -0.03 4.61 0.00 -0.97 -4.78 121.76 120.52 2ky9 s ALA 20 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.02 2ky9 s ALA 20 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2ky9 s ALA 20 CO 0.00 -0.05 0.70 -1.21 0.00 0.00 0.00 175.76 175.20 2ky9 s GLU 21 N -3.61 4.43 0.26 0.00 2.02 -1.26 -1.73 118.70 118.81 2ky9 s GLU 21 Ca 0.61 0.91 0.02 0.00 0.02 0.00 0.00 54.97 56.52 2ky9 s GLU 21 Cb -0.09 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 2ky9 s GLU 21 CO 0.22 0.17 0.21 0.00 0.02 0.00 0.00 175.26 175.87 2ky9 s ALA 22 N 0.43 1.39 0.02 5.21 0.00 0.10 -2.50 121.76 126.41 2ky9 s ALA 22 Ca 0.37 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2ky9 s ALA 22 Cb -0.19 1.41 -0.02 0.00 0.00 0.00 0.00 23.12 24.33 2ky9 s ALA 22 CO 0.19 -0.63 -0.04 0.99 0.00 0.00 0.00 175.76 176.27 2ky9 s THR 23 N -3.84 0.28 -0.28 0.00 2.01 -0.59 -1.12 115.64 112.10 2ky9 s THR 23 Ca 0.39 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 2ky9 s THR 23 Cb 0.05 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.22 2ky9 s THR 23 CO 0.18 -0.27 1.07 -0.69 -0.69 0.00 0.00 174.62 174.23 2ky9 s VAL 24 N -0.95 4.56 -0.28 3.82 1.01 -0.48 -1.30 120.40 126.78 2ky9 s VAL 24 Ca -0.08 1.84 0.22 0.00 0.00 0.00 0.00 61.98 63.96 2ky9 s VAL 24 Cb -0.07 -4.35 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 2ky9 s VAL 24 CO -0.00 -0.35 0.84 0.35 0.00 0.00 0.00 175.10 175.94 2ky9 n THR 25 N 5.64 0.27 -3.62 3.92 -2.24 0.45 -1.09 114.28 117.61 2ky9 n THR 25 Ca 0.12 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 2ky9 n THR 25 Cb 0.47 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 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 -4.20 -0.47 -0.09 3.38 0.00 -0.85 -4.92 107.32 100.18 2ky9 s GLY 26 Ca -0.02 1.41 -0.01 0.00 0.00 0.00 0.00 44.72 46.10 2ky9 s GLY 26 CO 0.84 1.13 -0.02 0.00 0.00 0.00 0.00 173.10 175.04 2ky9 s ALA 27 N -0.48 0.92 0.07 3.20 0.00 -1.26 -1.19 121.76 123.02 2ky9 s ALA 27 Ca -0.06 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2ky9 s ALA 27 Cb -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2ky9 s ALA 27 CO 0.05 -0.47 -0.15 0.71 0.00 0.00 0.00 175.76 175.90 2ky9 s TYR 28 N 1.88 1.26 -0.46 0.00 1.51 -0.76 -5.03 117.35 115.76 2ky9 s TYR 28 Ca 0.05 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2ky9 s TYR 28 Cb -0.13 -0.71 0.13 0.00 -0.11 0.00 0.00 41.96 41.14 2ky9 s TYR 28 CO -0.06 0.07 0.23 0.16 -1.11 0.00 0.00 175.55 174.83 2ky9 s ASP 29 N -1.71 3.97 0.35 2.29 -4.77 -1.26 -0.78 116.67 114.76 2ky9 s ASP 29 Ca -0.01 -2.69 0.05 0.00 -3.30 0.00 0.00 52.55 46.60 2ky9 s ASP 29 Cb -0.10 -1.27 -0.03 0.00 -1.09 0.00 0.00 42.92 40.43 2ky9 s ASP 29 CO 0.02 -0.27 0.19 0.28 0.70 0.00 0.00 175.17 176.10 2ky9 s THR 30 N 0.21 0.30 -0.39 2.11 -1.32 -1.17 -4.90 115.64 110.49 2ky9 s THR 30 Ca 0.17 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.36 2ky9 s THR 30 Cb -0.24 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 2ky9 s THR 30 CO -0.01 0.00 1.50 -0.89 -2.21 0.00 0.00 174.62 173.01 2ky9 s THR 31 N -3.41 3.81 0.26 5.08 2.01 -1.26 -2.09 115.64 120.04 2ky9 s THR 31 Ca 0.33 0.83 0.06 0.00 0.31 0.00 0.00 61.69 63.21 2ky9 s THR 31 Cb 0.03 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2ky9 s THR 31 CO 0.20 -0.67 0.35 0.00 -0.69 0.00 0.00 174.62 173.81 2ky9 s ALA 32 N 5.72 3.93 0.01 7.40 0.00 0.32 -3.01 121.76 136.13 2ky9 s ALA 32 Ca 0.65 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2ky9 s ALA 32 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2ky9 s ALA 32 CO 0.33 0.19 -0.03 0.71 0.00 0.00 0.00 175.76 176.95 2ky9 s TYR 33 N -2.05 0.28 -0.40 0.00 2.02 0.99 -1.86 117.35 116.33 2ky9 s TYR 33 Ca 0.36 -0.26 -0.15 0.00 -0.37 0.00 0.00 57.07 56.65 2ky9 s TYR 33 Cb -0.09 -0.18 0.01 0.00 -0.40 0.00 0.00 41.96 41.31 2ky9 s TYR 33 CO 0.29 -0.07 0.29 0.08 -1.57 0.00 0.00 175.55 174.57 2ky9 s VAL 34 N -0.69 5.26 0.01 0.71 1.01 -0.78 -2.52 120.40 123.41 2ky9 s VAL 34 Ca -0.06 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2ky9 s VAL 34 Cb -0.05 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ky9 s VAL 34 CO -0.00 -0.26 -0.09 0.68 0.00 0.00 0.00 175.10 175.42 2ky9 s VAL 35 N 1.70 3.44 -0.13 2.92 -7.23 -1.01 -0.74 120.40 119.35 2ky9 s VAL 35 Ca 0.05 -0.85 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2ky9 s VAL 35 Cb -0.19 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2ky9 s VAL 35 CO 0.10 0.40 -0.17 -0.94 -0.31 0.00 0.00 175.10 174.18 2ky9 s SER 36 N -1.37 3.61 0.09 4.85 1.04 -0.68 -0.82 113.70 120.41 2ky9 s SER 36 Ca 0.16 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 2ky9 s SER 36 Cb -0.11 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.50 2ky9 s SER 36 CO 0.07 0.13 0.33 -0.72 0.98 0.00 0.00 173.24 174.03 2ky9 s TYR 37 N 0.52 -0.10 -0.27 5.02 1.13 -1.11 -1.08 117.35 121.45 2ky9 s TYR 37 Ca -0.11 -0.17 -0.07 0.00 -1.41 0.00 0.00 57.07 55.31 2ky9 s TYR 37 Cb -0.16 0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.83 2ky9 s TYR 37 CO 0.04 -0.61 0.06 0.99 -2.51 0.00 0.00 175.55 173.53 2ky9 s THR 38 N -3.39 3.99 0.10 -3.49 2.01 -1.26 -0.79 115.64 112.80 2ky9 s THR 38 Ca 0.01 -0.51 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 2ky9 s THR 38 Cb 0.02 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.46 2ky9 s THR 38 CO -0.09 0.20 1.85 -2.16 -0.69 0.00 0.00 174.62 173.73 2ky9 s PRO 39 N 1.53 4.14 0.28 4.92 0.04 -1.26 -4.67 135.00 139.99 2ky9 s PRO 39 Ca 0.04 2.58 0.21 0.00 0.04 0.00 0.00 61.00 63.87 2ky9 s PRO 39 Cb -0.16 -3.72 1.05 0.00 0.04 0.00 0.00 34.50 31.71 2ky9 s PRO 39 CO 0.02 -0.86 1.64 0.25 0.04 0.00 0.00 177.00 178.09 2ky9 n THR 40 N 4.92 1.03 1.20 1.26 -2.24 -0.75 -2.62 114.28 117.08 2ky9 n THR 40 Ca 0.18 0.57 0.03 0.00 -2.27 0.00 0.00 64.05 62.56 2ky9 n THR 40 Cb 0.39 -1.55 0.10 0.00 -2.10 0.00 0.00 70.33 67.17 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 -2.20 1.31 -1.07 3.42 5.03 -1.26 -4.89 115.26 115.59 2ky9 n ASN 41 Ca -0.00 -2.04 0.00 0.00 0.87 0.00 0.00 54.58 53.41 2ky9 n ASN 41 Cb 0.09 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ky9 n GLY 42 N 0.75 0.59 3.60 7.41 0.00 -1.08 -5.11 105.19 111.36 2ky9 n GLY 42 Ca 0.07 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 2.42 0.29 -0.02 0.00 -1.21 -5.11 107.32 100.82 2ky9 s GLY 43 Ca 0.00 -2.25 -0.30 0.00 0.00 0.00 0.00 44.72 42.17 2ky9 s GLY 43 CO 0.00 -2.07 1.55 -0.18 0.00 0.00 0.00 173.10 172.40 2ky9 n GLN 44 N -0.92 2.58 -1.70 2.90 -0.06 -1.26 -4.53 117.38 114.38 2ky9 n GLN 44 Ca -0.05 0.92 -0.43 0.00 -2.00 0.00 0.00 57.00 55.44 2ky9 n GLN 44 Cb 0.66 -2.67 -0.02 0.00 -4.06 0.00 0.00 30.24 24.15 2ky9 n GLN 44 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2ky9 n ARG 45 N 2.03 2.27 -2.83 3.69 1.85 -1.26 -4.55 116.66 117.86 2ky9 n ARG 45 Ca 0.09 0.81 -0.43 0.00 -1.00 0.00 0.00 57.85 57.31 2ky9 n ARG 45 Cb 0.36 -2.48 -0.04 0.00 -1.05 0.00 0.00 32.46 29.25 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2ky9 s VAL 46 N -0.37 4.33 -0.51 8.89 1.01 0.03 -5.00 120.40 128.77 2ky9 s VAL 46 Ca 0.63 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 2ky9 s VAL 46 Cb -0.58 -4.62 0.03 0.00 0.00 0.00 0.00 36.38 31.22 2ky9 s VAL 46 CO 0.53 -1.29 1.13 -1.81 0.00 0.00 0.00 175.10 173.66 2ky9 s ASP 47 N 3.23 6.55 -0.46 3.32 1.11 -1.26 -2.76 116.67 126.40 2ky9 s ASP 47 Ca 0.27 0.29 -0.17 0.00 0.18 0.00 0.00 52.55 53.13 2ky9 s ASP 47 Cb -0.14 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.33 2ky9 s ASP 47 CO 0.15 -1.31 0.62 1.41 1.18 0.00 0.00 175.17 177.22 2ky9 n HIS 48 N 7.96 -3.36 -3.21 4.23 8.25 -1.25 -4.99 115.22 122.84 2ky9 n HIS 48 Ca 0.10 1.35 -0.43 0.00 -0.26 0.00 0.00 57.72 58.48 2ky9 n HIS 48 Cb 0.49 -3.84 -0.08 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 0.00 176.34 175.40 2ky9 s HIS 49 N -2.52 3.11 -0.02 4.41 2.46 -0.00 -4.91 115.29 117.82 2ky9 s HIS 49 Ca 0.24 -0.24 0.08 0.00 0.47 0.00 0.00 55.06 55.61 2ky9 s HIS 49 Cb -0.06 -3.15 -0.02 0.00 -0.13 0.00 0.00 32.58 29.22 2ky9 s HIS 49 CO 0.78 -0.80 -0.25 -1.59 -2.47 0.00 0.00 174.74 170.41 2ky9 s LYS 50 N 2.49 1.99 0.25 2.88 -2.85 -1.26 -2.40 119.74 120.84 2ky9 s LYS 50 Ca 0.17 -0.89 0.11 0.00 -1.00 0.00 0.00 55.97 54.36 2ky9 s LYS 50 Cb -0.16 -1.93 -0.05 0.00 -2.06 0.00 0.00 37.83 33.63 2ky9 s LYS 50 CO 0.16 0.53 -0.15 -1.58 0.10 0.00 0.00 175.35 174.41 2ky9 s TRP 51 N -0.59 2.42 0.02 1.78 0.52 -0.73 -4.77 118.94 117.59 2ky9 s TRP 51 Ca 0.10 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.96 2ky9 s TRP 51 Cb -0.10 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 2ky9 s TRP 51 CO -0.01 0.64 -0.12 0.14 0.02 0.00 0.00 176.95 177.62 2ky9 s VAL 52 N -2.23 0.93 0.57 4.03 -7.23 -1.05 -1.88 120.40 113.55 2ky9 s VAL 52 Ca 0.28 -0.77 0.07 0.00 -1.81 0.00 0.00 61.98 59.75 2ky9 s VAL 52 Cb -0.06 -0.83 0.06 0.00 0.56 0.00 0.00 36.38 36.11 2ky9 s VAL 52 CO 0.15 0.06 0.53 0.27 -0.31 0.00 0.00 175.10 175.81 2ky9 s ILE 53 N -0.64 1.70 0.45 -0.62 -4.36 -1.26 -0.01 121.20 116.46 2ky9 s ILE 53 Ca 0.02 -1.35 0.25 0.00 -0.26 0.00 0.00 60.65 59.31 2ky9 s ILE 53 Cb -0.06 -2.04 0.45 0.00 1.25 0.00 0.00 42.46 42.05 2ky9 s ILE 53 CO 0.00 0.00 1.79 -0.61 0.24 0.00 0.00 174.94 176.36 2ky9 h GLN 54 N 0.53 0.23 0.00 0.37 4.15 -1.93 -2.32 115.11 116.14 2ky9 h GLN 54 Ca -0.34 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 2ky9 h GLN 54 Cb 1.30 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2ky9 h GLN 54 CO 0.52 0.15 -0.19 1.49 -1.93 0.00 0.00 178.83 178.86 2ky9 h GLU 55 N 0.23 0.00 0.00 1.69 4.81 -1.95 -3.11 114.58 116.26 2ky9 h GLU 55 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2ky9 h GLU 55 Cb 1.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.16 2ky9 h GLU 55 CO -0.19 0.19 -0.06 0.39 -0.73 0.00 0.00 179.01 178.61 2ky9 n GLU 56 N -3.43 0.04 -4.76 1.92 4.71 -0.87 -4.86 120.64 113.39 2ky9 n GLU 56 Ca -0.00 0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.85 2ky9 n GLU 56 Cb 0.38 -1.55 -0.13 0.00 -1.01 0.00 0.00 31.44 29.13 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ky9 s ILE 57 N -3.02 3.21 0.06 -3.67 1.01 -1.17 -0.95 121.20 116.67 2ky9 s ILE 57 Ca 0.13 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2ky9 s ILE 57 Cb 0.18 -2.32 -0.12 0.00 0.01 0.00 0.00 42.46 40.21 2ky9 s ILE 57 CO 0.56 0.55 1.44 0.50 0.00 0.00 0.00 174.94 177.99 2ky9 h LYS 58 N 6.11 0.37 0.00 2.79 3.64 -1.49 -3.22 116.57 124.77 2ky9 h LYS 58 Ca -0.35 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2ky9 h LYS 58 Cb 1.19 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2ky9 h LYS 58 CO 0.54 0.65 -0.03 0.22 -2.27 0.00 0.00 179.45 178.56 2ky9 h ASP 59 N 0.08 0.00 -0.79 4.20 3.58 -1.96 -3.37 116.42 118.16 2ky9 h ASP 59 Ca 0.04 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.59 2ky9 h ASP 59 Cb 0.52 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.46 2ky9 h ASP 59 CO 0.02 0.03 -0.40 0.00 -2.88 0.00 0.00 179.24 176.02 2ky9 n ALA 60 N -2.18 -0.33 -1.41 -0.78 0.00 -1.22 -4.84 120.51 109.75 2ky9 n ALA 60 Ca -0.02 0.72 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 2ky9 n ALA 60 Cb 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 2ky9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky9 n GLY 61 N -1.27 1.45 2.70 0.00 0.00 -1.26 -1.67 105.19 105.14 2ky9 n GLY 61 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ky9 n ASP 62 N -0.41 -5.48 -4.78 1.61 2.03 -1.26 -5.01 116.55 103.25 2ky9 n ASP 62 Ca -0.14 0.27 -0.22 0.00 0.52 0.00 0.00 54.79 55.22 2ky9 n ASP 62 Cb 0.48 -3.95 -0.05 0.00 -0.72 0.00 0.00 41.12 36.88 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2ky9 s LYS 63 N -2.86 2.77 -0.01 -0.67 -2.85 -0.67 -5.10 119.74 110.35 2ky9 s LYS 63 Ca 0.00 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 2ky9 s LYS 63 Cb 0.00 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.27 2ky9 s LYS 63 CO 0.00 0.38 1.11 0.95 0.10 0.00 0.00 175.35 177.90 2ky9 s THR 64 N -2.19 4.42 0.04 3.79 -4.23 -1.26 -4.90 115.64 111.31 2ky9 s THR 64 Ca 0.33 1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 62.36 2ky9 s THR 64 Cb -0.07 -4.11 -0.06 0.00 1.34 0.00 0.00 72.50 69.59 2ky9 s THR 64 CO 0.24 0.08 0.63 -0.76 -0.54 0.00 0.00 174.62 174.27 2ky9 s LEU 65 N 1.47 4.46 0.14 4.79 1.43 -1.26 -5.10 118.68 124.61 2ky9 s LEU 65 Ca 0.55 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 2ky9 s LEU 65 Cb -0.24 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2ky9 s LEU 65 CO 0.25 0.14 0.11 -1.10 0.23 0.00 0.00 176.35 175.99 2ky9 s GLN 66 N -0.47 2.87 0.17 1.70 1.11 -1.26 -4.82 119.66 118.97 2ky9 s GLN 66 Ca 0.32 -0.83 -0.33 0.00 0.01 0.00 0.00 55.36 54.53 2ky9 s GLN 66 Cb -0.19 -2.65 -0.14 0.00 -1.01 0.00 0.00 33.01 29.02 2ky9 s GLN 66 CO 0.19 0.51 1.58 -2.30 0.01 0.00 0.00 175.29 175.28 2ky9 n PRO 67 N -0.10 2.21 0.00 2.91 -0.02 -1.26 -2.46 135.00 136.27 2ky9 n PRO 67 Ca -0.08 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2ky9 n PRO 67 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.37 2.81 3.80 -1.23 0.00 -0.50 -5.03 105.19 108.41 2ky9 n GLY 68 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.91 5.37 -0.04 1.61 1.01 -1.03 -4.88 116.67 117.79 2ky9 s ASP 69 Ca 0.00 1.78 0.04 0.00 0.71 0.00 0.00 52.55 55.09 2ky9 s ASP 69 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 2ky9 s ASP 69 CO 0.00 -1.45 -0.18 -1.58 0.21 0.00 0.00 175.17 172.17 2ky9 s GLN 70 N -4.50 1.81 0.29 8.23 0.74 -1.26 -1.24 119.66 123.72 2ky9 s GLN 70 Ca 0.62 -0.62 0.06 0.00 0.05 0.00 0.00 55.36 55.47 2ky9 s GLN 70 Cb -0.16 -1.57 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 2ky9 s GLN 70 CO 0.46 0.26 0.23 1.33 -0.55 0.00 0.00 175.29 177.01 2ky9 n VAL 71 N 3.11 0.00 -4.67 1.34 0.24 0.23 -5.01 118.33 113.57 2ky9 n VAL 71 Ca -0.18 -2.09 -0.23 0.00 -2.04 0.00 0.00 64.34 59.80 2ky9 n VAL 71 Cb 0.53 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.76 2ky9 n VAL 71 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2ky9 s ILE 72 N -3.13 1.22 -0.10 1.34 1.01 -1.26 -0.98 121.20 119.31 2ky9 s ILE 72 Ca 0.32 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 2ky9 s ILE 72 Cb 0.02 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2ky9 s ILE 72 CO 0.23 0.30 0.54 -0.76 0.00 0.00 0.00 174.94 175.24 2ky9 s LEU 73 N -0.50 4.29 0.05 2.97 1.43 -0.85 -1.25 118.68 124.84 2ky9 s LEU 73 Ca 0.05 0.93 0.24 0.00 -1.03 0.00 0.00 54.13 54.32 2ky9 s LEU 73 Cb -0.06 -2.81 0.27 0.00 0.03 0.00 0.00 46.19 43.63 2ky9 s LEU 73 CO -0.00 -0.03 1.24 -0.62 0.23 0.00 0.00 176.35 177.17 2ky9 n GLU 74 N 3.66 0.18 -3.59 1.70 1.02 -0.12 -1.23 120.64 122.26 2ky9 n GLU 74 Ca -0.06 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 2ky9 n GLU 74 Cb 0.52 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.11 3.83 -0.03 0.62 0.00 -1.15 -4.82 121.76 117.11 2ky9 s ALA 75 Ca 0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2ky9 s ALA 75 Cb 0.15 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.37 2ky9 s ALA 75 CO 0.75 0.06 0.05 0.45 0.00 0.00 0.00 175.76 177.06 2ky9 s SER 76 N -4.04 0.49 0.00 0.00 0.15 -1.26 -3.05 113.70 106.00 2ky9 s SER 76 Ca 0.38 0.07 0.08 0.00 0.70 0.00 0.00 55.95 57.18 2ky9 s SER 76 Cb -0.09 -0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 2ky9 s SER 76 CO 0.33 -0.18 0.78 1.41 1.20 0.00 0.00 173.24 176.78 2ky9 n HIS 77 N 4.65 0.02 -3.80 3.44 8.25 -1.26 -4.93 115.22 121.59 2ky9 n HIS 77 Ca -0.18 -0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.16 2ky9 n HIS 77 Cb 0.50 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 s MET 78 N -0.68 1.58 -0.50 -0.41 0.23 -1.26 -5.09 119.30 113.17 2ky9 s MET 78 Ca 0.10 -0.94 -0.27 0.00 -1.03 0.00 0.00 55.69 53.56 2ky9 s MET 78 Cb 0.07 0.56 -0.05 0.00 -1.53 0.00 0.00 34.83 33.88 2ky9 s MET 78 CO 0.10 -0.70 2.17 0.21 -2.03 0.00 0.00 175.02 174.77 2ky9 s LYS 79 N -3.90 2.45 0.00 3.16 2.20 -1.26 -2.29 119.74 120.09 2ky9 s LYS 79 Ca 0.11 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 2ky9 s LYS 79 Cb -0.03 -4.47 0.00 0.00 -1.51 0.00 0.00 37.83 31.81 2ky9 s LYS 79 CO 0.02 -2.90 0.00 0.41 -0.36 0.00 0.00 175.35 172.52 2ky9 n GLY 80 N 5.84 1.41 0.13 5.54 0.00 -1.26 -4.57 105.19 112.29 2ky9 n GLY 80 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.55 0.72 -2.05 1.61 0.00 -0.97 -1.80 117.12 113.09 2ky9 n MET 81 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 57.70 57.50 2ky9 n MET 81 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 33.22 31.54 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 -2.55 4.16 0.00 2.12 2.20 -1.17 -2.13 119.74 122.38 2ky9 s LYS 82 Ca -0.25 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2ky9 s LYS 82 Cb 0.07 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2ky9 s LYS 82 CO 0.72 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2ky9 n GLY 83 N 4.12 0.95 3.79 5.54 0.00 -0.36 -5.02 105.19 114.20 2ky9 n GLY 83 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.39 3.08 -0.25 4.61 0.00 -0.90 -4.83 121.76 121.08 2ky9 s ALA 84 Ca 0.00 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 2ky9 s ALA 84 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2ky9 s ALA 84 CO 0.00 -0.04 0.77 0.99 0.00 0.00 0.00 175.76 177.48 2ky9 s THR 85 N -1.81 4.87 0.09 0.00 2.01 -1.26 -2.00 115.64 117.54 2ky9 s THR 85 Ca 0.58 1.42 0.07 0.00 0.31 0.00 0.00 61.69 64.07 2ky9 s THR 85 Cb -0.17 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2ky9 s THR 85 CO 0.22 -0.07 -0.09 0.00 -0.69 0.00 0.00 174.62 173.99 2ky9 s ALA 86 N 2.77 2.97 -0.14 7.40 0.00 -0.15 -4.10 121.76 130.51 2ky9 s ALA 86 Ca 0.32 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2ky9 s ALA 86 Cb -0.15 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.04 2ky9 s ALA 86 CO 0.08 0.64 -0.20 -2.00 0.00 0.00 0.00 175.76 174.29 2ky9 s GLU 87 N -2.12 3.11 -0.53 0.00 2.12 -0.24 -0.60 118.70 120.44 2ky9 s GLU 87 Ca 0.21 -0.81 -0.27 0.00 0.36 0.00 0.00 54.97 54.46 2ky9 s GLU 87 Cb -0.11 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 2ky9 s GLU 87 CO 0.13 0.05 1.90 0.42 -0.54 0.00 0.00 175.26 177.22 2ky9 s ILE 88 N 0.69 3.35 0.13 -3.70 -1.09 -0.38 -1.69 121.20 118.51 2ky9 s ILE 88 Ca -0.09 0.26 -0.10 0.00 -2.23 0.00 0.00 60.65 58.48 2ky9 s ILE 88 Cb -0.16 -3.77 -0.10 0.00 -1.58 0.00 0.00 42.46 36.85 2ky9 s ILE 88 CO 0.01 -0.69 1.40 0.44 -1.23 0.00 0.00 174.94 174.87 2ky9 h ASP 89 N 14.90 0.92 -4.77 3.58 3.32 -1.25 -1.34 116.42 131.78 2ky9 h ASP 89 Ca -0.28 -0.52 -0.09 0.00 0.02 0.00 0.00 57.03 56.17 2ky9 h ASP 89 Cb 1.17 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.26 2ky9 h ASP 89 CO 1.16 1.31 -0.04 -0.55 -1.72 0.00 0.00 179.24 179.40 2ky9 s SER 90 N -6.98 -0.46 -0.04 6.45 0.15 -1.19 -4.64 113.70 106.99 2ky9 s SER 90 Ca -0.10 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2ky9 s SER 90 Cb 0.10 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 2ky9 s SER 90 CO 0.89 -0.46 -0.08 0.00 1.20 0.00 0.00 173.24 174.79 2ky9 s ALA 91 N -0.94 0.82 -0.09 5.45 0.00 -1.26 -1.86 121.76 123.88 2ky9 s ALA 91 Ca -0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 2ky9 s ALA 91 Cb -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2ky9 s ALA 91 CO 0.06 0.08 0.29 -2.00 0.00 0.00 0.00 175.76 174.19 2ky9 s GLU 92 N 0.51 0.41 -0.78 0.00 2.56 -0.78 -4.95 118.70 115.67 2ky9 s GLU 92 Ca -0.08 0.27 -0.19 0.00 0.00 0.00 0.00 54.97 54.97 2ky9 s GLU 92 Cb -0.11 0.19 0.12 0.00 2.00 0.00 0.00 34.13 36.33 2ky9 s GLU 92 CO 0.01 -0.07 0.97 0.15 -0.56 0.00 0.00 175.26 175.76 2ky9 s LYS 93 N -0.18 3.36 0.09 4.30 3.01 -1.26 -0.52 119.74 128.54 2ky9 s LYS 93 Ca -0.03 -1.49 0.03 0.00 -1.01 0.00 0.00 55.97 53.46 2ky9 s LYS 93 Cb -0.03 -4.57 -0.04 0.00 -1.01 0.00 0.00 37.83 32.18 2ky9 s LYS 93 CO 0.01 -1.70 -0.08 -0.08 0.51 0.00 0.00 175.35 174.01 2ky9 s THR 94 N 2.84 0.76 -0.22 2.17 -1.32 -0.89 -4.92 115.64 114.07 2ky9 s THR 94 Ca 0.24 -1.70 -0.29 0.00 -1.21 0.00 0.00 61.69 58.74 2ky9 s THR 94 Cb -0.12 -1.40 0.01 0.00 -1.51 0.00 0.00 72.50 69.48 2ky9 s THR 94 CO -0.01 -0.69 1.04 -0.89 -2.21 0.00 0.00 174.62 171.86 2ky9 s THR 95 N -2.85 4.68 -0.08 5.08 2.01 -1.26 -3.03 115.64 120.18 2ky9 s THR 95 Ca 0.06 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.12 2ky9 s THR 95 Cb -0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 2ky9 s THR 95 CO -0.02 -0.17 -0.17 0.68 -0.69 0.00 0.00 174.62 174.25 2ky9 s VAL 96 N 3.15 2.76 -0.10 3.82 -7.23 0.04 -3.32 120.40 119.52 2ky9 s VAL 96 Ca 0.44 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 2ky9 s VAL 96 Cb -0.15 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2ky9 s VAL 96 CO 0.07 0.56 -0.06 -0.31 -0.31 0.00 0.00 175.10 175.04 2ky9 s TYR 97 N -0.12 2.96 -0.24 2.82 2.02 0.17 -1.83 117.35 123.13 2ky9 s TYR 97 Ca -0.02 -0.14 -0.20 0.00 -0.37 0.00 0.00 57.07 56.34 2ky9 s TYR 97 Cb -0.14 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2ky9 s TYR 97 CO 0.04 0.16 0.60 1.41 -1.57 0.00 0.00 175.55 176.19 2ky9 s MET 98 N -0.33 4.13 0.04 -0.62 -2.45 -0.34 -3.43 119.30 116.31 2ky9 s MET 98 Ca 0.05 0.51 0.06 0.00 -1.25 0.00 0.00 55.69 55.05 2ky9 s MET 98 Cb -0.12 -3.63 -0.02 0.00 1.25 0.00 0.00 34.83 32.30 2ky9 s MET 98 CO 0.02 -0.34 -0.16 0.14 1.05 0.00 0.00 175.02 175.73 2ky9 s VAL 99 N 2.27 1.31 -0.24 10.11 -7.23 -1.16 -0.41 120.40 125.05 2ky9 s VAL 99 Ca 0.25 -1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 59.27 2ky9 s VAL 99 Cb -0.16 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 2ky9 s VAL 99 CO 0.09 0.07 0.06 1.51 -0.31 0.00 0.00 175.10 176.51 2ky9 s ASP 100 N -1.18 5.05 0.27 4.85 -4.77 -0.42 -0.82 116.67 119.65 2ky9 s ASP 100 Ca 0.04 -0.22 0.05 0.00 -3.30 0.00 0.00 52.55 49.12 2ky9 s ASP 100 Cb -0.08 -1.90 -0.06 0.00 -1.09 0.00 0.00 42.92 39.79 2ky9 s ASP 100 CO 0.02 -0.02 -0.03 -0.72 0.70 0.00 0.00 175.17 175.11 2ky9 s TYR 101 N 1.54 1.84 -0.40 2.11 1.13 -0.50 -1.54 117.35 121.54 2ky9 s TYR 101 Ca 0.06 -0.79 -0.11 0.00 -1.41 0.00 0.00 57.07 54.82 2ky9 s TYR 101 Cb -0.15 -1.08 0.04 0.00 -1.10 0.00 0.00 41.96 39.67 2ky9 s TYR 101 CO 0.03 0.16 0.24 0.99 -2.51 0.00 0.00 175.55 174.46 2ky9 s THR 102 N -3.15 4.64 -0.32 -3.49 2.01 -1.04 -0.99 115.64 113.29 2ky9 s THR 102 Ca 0.30 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 2ky9 s THR 102 Cb 0.05 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2ky9 s THR 102 CO 0.11 -0.33 2.16 -0.55 -0.69 0.00 0.00 174.62 175.32 2ky9 s SER 103 N 1.77 5.32 0.47 3.53 0.15 -0.30 -4.48 113.70 120.16 2ky9 s SER 103 Ca 0.03 1.52 0.13 0.00 0.70 0.00 0.00 55.95 58.33 2ky9 s SER 103 Cb -0.20 -2.51 1.11 0.00 -1.71 0.00 0.00 66.02 62.70 2ky9 s SER 103 CO 0.06 -2.13 2.09 0.71 1.20 0.00 0.00 173.24 175.18 2ky9 h THR 104 N 7.18 1.01 0.00 6.45 1.35 -1.84 -0.01 112.91 127.05 2ky9 h THR 104 Ca -0.35 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2ky9 h THR 104 Cb 1.23 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2ky9 h THR 104 CO 1.03 0.04 0.00 1.07 -0.25 0.00 0.00 175.52 177.41 2ky9 n THR 105 N -4.50 0.57 0.00 6.82 5.66 -1.26 -4.30 114.28 117.27 2ky9 n THR 105 Ca 0.01 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2ky9 n THR 105 Cb 0.15 -0.75 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 2ky9 n THR 105 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2ky9 n SER 106 N -2.01 1.96 0.00 1.09 2.88 -0.91 -5.03 113.62 111.60 2ky9 n SER 106 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2ky9 n SER 106 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ky9 n GLY 107 N 2.96 2.97 3.75 0.46 0.00 -0.07 -5.08 105.19 110.18 2ky9 n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.89 4.55 -0.29 1.61 2.56 -1.26 -4.80 118.70 120.18 2ky9 s GLU 108 Ca 0.00 1.84 -0.19 0.00 0.00 0.00 0.00 54.97 56.62 2ky9 s GLU 108 Cb 0.00 -3.22 -0.02 0.00 2.00 0.00 0.00 34.13 32.90 2ky9 s GLU 108 CO 0.00 0.04 0.58 0.15 -0.56 0.00 0.00 175.26 175.46 2ky9 s LYS 109 N -0.76 3.94 -0.27 4.30 1.02 -1.26 -1.15 119.74 125.56 2ky9 s LYS 109 Ca 0.49 0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.67 2ky9 s LYS 109 Cb -0.32 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 2ky9 s LYS 109 CO 0.39 -0.49 0.11 0.08 -0.92 0.00 0.00 175.35 174.52 2ky9 s VAL 110 N 2.48 4.60 0.13 3.17 1.01 -0.16 -4.97 120.40 126.65 2ky9 s VAL 110 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2ky9 s VAL 110 Cb -0.15 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2ky9 s VAL 110 CO 0.11 0.26 0.17 -1.59 0.00 0.00 0.00 175.10 174.05 2ky9 s LYS 111 N 1.65 3.09 -1.47 2.72 -2.85 -1.26 -1.42 119.74 120.19 2ky9 s LYS 111 Ca 0.06 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.97 54.21 2ky9 s LYS 111 Cb -0.16 -2.79 0.06 0.00 -2.06 0.00 0.00 37.83 32.89 2ky9 s LYS 111 CO 0.06 0.53 0.93 0.09 0.10 0.00 0.00 175.35 177.05 2ky9 n ASN 112 N -0.15 -4.04 -4.73 0.03 4.13 -0.63 -4.88 115.26 105.00 2ky9 n ASN 112 Ca -0.08 -0.78 -0.42 0.00 1.68 0.00 0.00 54.58 54.98 2ky9 n ASN 112 Cb 0.53 -3.98 -0.02 0.00 -1.54 0.00 0.00 39.78 34.78 2ky9 n ASN 112 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2ky9 n HIS 113 N -4.61 2.74 -4.35 3.10 -0.00 0.00 -4.68 115.22 107.41 2ky9 n HIS 113 Ca -0.04 0.25 -0.21 0.00 -0.00 0.00 0.00 57.72 57.72 2ky9 n HIS 113 Cb 0.56 -2.59 -0.16 0.00 -0.00 0.00 0.00 29.99 27.81 2ky9 n HIS 113 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2ky9 s LYS 114 N -0.27 1.08 0.19 1.57 1.02 -1.26 -2.99 119.74 119.07 2ky9 s LYS 114 Ca 0.66 -0.25 0.11 0.00 0.02 0.00 0.00 55.97 56.51 2ky9 s LYS 114 Cb -0.52 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2ky9 s LYS 114 CO 0.47 0.02 -0.22 -1.58 -0.92 0.00 0.00 175.35 173.11 2ky9 s TRP 115 N 0.58 2.35 0.19 3.18 0.52 -0.79 -4.81 118.94 120.16 2ky9 s TRP 115 Ca -0.09 -0.34 0.08 0.00 0.02 0.00 0.00 56.10 55.76 2ky9 s TRP 115 Cb -0.13 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2ky9 s TRP 115 CO 0.01 0.49 -0.15 0.14 0.02 0.00 0.00 176.95 177.46 2ky9 s VAL 116 N -1.63 1.73 0.51 4.03 -7.23 -1.22 -1.78 120.40 114.81 2ky9 s VAL 116 Ca 0.21 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 2ky9 s VAL 116 Cb -0.08 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.95 2ky9 s VAL 116 CO 0.10 -0.50 0.51 0.42 -0.31 0.00 0.00 175.10 175.32 2ky9 s THR 117 N -2.63 2.16 0.33 5.32 -4.23 -1.26 -0.65 115.64 114.67 2ky9 s THR 117 Ca 0.19 -1.29 0.21 0.00 -1.18 0.00 0.00 61.69 59.62 2ky9 s THR 117 Cb -0.03 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.56 2ky9 s THR 117 CO 0.06 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 175.98 2ky9 h GLU 118 N 0.68 0.00 0.00 3.99 4.81 -1.89 -1.78 114.58 120.38 2ky9 h GLU 118 Ca -0.36 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2ky9 h GLU 118 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2ky9 h GLU 118 CO 0.52 0.25 -0.14 0.22 -0.73 0.00 0.00 179.01 179.13 2ky9 h ASP 119 N 0.00 0.00 -0.27 1.04 3.58 -1.95 -2.98 116.42 115.84 2ky9 h ASP 119 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ky9 h ASP 119 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2ky9 h ASP 119 CO 0.03 0.14 0.00 -0.62 -2.88 0.00 0.00 179.24 175.92 2ky9 n GLU 120 N -4.24 2.36 -4.73 0.28 1.02 -0.69 -4.85 120.64 109.79 2ky9 n GLU 120 Ca -0.02 -2.03 -0.25 0.00 -0.02 0.00 0.00 57.16 54.84 2ky9 n GLU 120 Cb 0.22 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.64 2.10 -0.11 -4.62 1.43 -1.09 -1.17 118.68 113.57 2ky9 s LEU 121 Ca 0.36 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2ky9 s LEU 121 Cb 0.22 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.55 2ky9 s LEU 121 CO 0.31 0.18 -0.07 -0.94 0.23 0.00 0.00 176.35 176.06 2ky9 s SER 122 N -0.80 2.17 -0.57 2.29 1.04 -0.43 -4.89 113.70 112.51 2ky9 s SER 122 Ca 0.07 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 2ky9 s SER 122 Cb -0.08 -0.81 0.04 0.00 0.10 0.00 0.00 66.02 65.28 2ky9 s SER 122 CO 0.00 -0.13 0.98 0.00 0.98 0.00 0.00 173.24 175.07 2ky9 s ALA 123 N 1.73 3.13 0.00 5.32 0.00 -1.26 -0.53 121.76 130.15 2ky9 s ALA 123 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2ky9 s ALA 123 Cb -0.13 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2ky9 s ALA 123 CO -0.08 -2.48 0.00 1.17 0.00 0.00 0.00 175.76 174.37 2ky9 n LYS 124 N 7.65 0.00 -1.65 0.00 3.00 -1.24 -4.88 118.16 121.03 2ky9 n LYS 124 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.92 2ky9 n LYS 124 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.52 2ky9 n LYS 124 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2ky9 n LEU 125 N 0.00 3.48 -2.09 3.14 -0.00 -1.26 -3.05 117.00 117.21 2ky9 n LEU 125 Ca 0.00 1.03 -0.18 0.00 -0.00 0.00 0.00 56.01 56.85 2ky9 n LEU 125 Cb 0.00 -1.43 -0.03 0.00 -0.00 0.00 0.00 43.42 41.96 2ky9 n LEU 125 CO 0.00 -1.16 -0.22 -0.62 -0.00 0.00 0.00 177.39 175.40 2ky9 n GLU 126 N -0.12 -1.68 -1.49 1.47 -0.58 -1.26 -4.96 120.64 112.02 2ky9 n GLU 126 Ca 0.09 0.97 -0.38 0.00 -0.42 0.00 0.00 57.16 57.42 2ky9 n GLU 126 Cb 0.41 -5.51 0.05 0.00 -0.57 0.00 0.00 31.44 25.82 2ky9 n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2ky9 n HIS 127 N -3.25 -0.16 -0.95 -0.32 1.44 -1.17 -2.29 115.22 108.51 2ky9 n HIS 127 Ca -0.21 0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 2ky9 n HIS 127 Cb 0.65 -2.01 0.00 0.00 0.12 0.00 0.00 29.99 28.74 2ky9 n HIS 127 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2ky9 n HIS 128 N -1.84 0.00 -1.86 -1.40 -0.00 -1.26 -5.02 115.22 103.84 2ky9 n HIS 128 Ca 0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.54 2ky9 n HIS 128 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 2ky9 n HIS 128 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ky9 s HIS 129 N -3.06 1.48 0.46 1.57 5.04 -0.97 -4.96 115.29 114.85 2ky9 s HIS 129 Ca 0.00 1.12 -0.24 0.00 -1.54 0.00 0.00 55.06 54.40 2ky9 s HIS 129 Cb 0.00 -3.86 -0.07 0.00 0.04 0.00 0.00 32.58 28.69 2ky9 s HIS 129 CO 0.00 -2.09 1.27 -3.38 -2.34 0.00 0.00 174.74 168.20 2ky9 s HIS 130 N 10.99 2.70 0.03 3.88 -3.43 -1.26 -5.04 115.29 123.17 2ky9 s HIS 130 Ca 0.79 1.44 -0.24 0.00 -0.80 0.00 0.00 55.06 56.25 2ky9 s HIS 130 Cb -0.12 -3.61 0.06 0.00 -1.43 0.00 0.00 32.58 27.48 2ky9 s HIS 130 CO 0.14 -2.10 0.56 -3.38 -2.00 0.00 0.00 174.74 167.96 2ky9 s HIS 131 N -1.37 -0.48 -2.00 0.38 -3.43 -1.26 -5.23 115.29 101.91 2ky9 s HIS 131 Ca 0.63 0.60 0.08 0.00 -0.80 0.00 0.00 55.06 55.57 2ky9 s HIS 131 Cb -0.35 0.37 0.47 0.00 -1.43 0.00 0.00 32.58 31.63 2ky9 s HIS 131 CO 0.44 -0.65 0.93 0.72 -2.00 0.00 0.00 174.74 174.18