#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 3.76 0.18 0.03 -2.85 -1.26 -4.93 119.74 114.66 2ky9 s LYS 2 Ca 0.00 1.67 -0.31 0.00 -1.00 0.00 0.00 55.97 56.34 2ky9 s LYS 2 Cb 0.00 -2.34 -0.09 0.00 -2.06 0.00 0.00 37.83 33.34 2ky9 s LYS 2 CO 0.00 -0.53 1.41 0.08 0.10 0.00 0.00 175.35 176.41 2ky9 s VAL 3 N -1.63 3.03 0.00 1.79 1.01 -1.26 -2.82 120.40 120.51 2ky9 s VAL 3 Ca 0.64 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2ky9 s VAL 3 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2ky9 s VAL 3 CO 0.31 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2ky9 n GLY 4 N 2.92 0.40 3.75 4.51 0.00 0.00 -5.01 105.19 111.75 2ky9 n GLY 4 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.22 6.82 -0.38 1.61 0.01 -1.13 -4.78 113.70 113.63 2ky9 s SER 5 Ca 0.00 2.53 -0.25 0.00 1.31 0.00 0.00 55.95 59.54 2ky9 s SER 5 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2ky9 s SER 5 CO 0.00 -0.56 0.91 -1.10 0.41 0.00 0.00 173.24 172.90 2ky9 s GLN 6 N -0.63 3.78 0.42 12.44 -1.52 -1.26 -1.41 119.66 131.49 2ky9 s GLN 6 Ca 0.55 0.48 0.04 0.00 -1.95 0.00 0.00 55.36 54.48 2ky9 s GLN 6 Cb -0.38 -3.82 -0.05 0.00 -0.22 0.00 0.00 33.01 28.54 2ky9 s GLN 6 CO 0.43 -0.98 0.04 0.14 -0.25 0.00 0.00 175.29 174.67 2ky9 s VAL 7 N 3.47 1.30 -0.03 1.09 -7.23 -0.49 -1.14 120.40 117.36 2ky9 s VAL 7 Ca 0.37 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2ky9 s VAL 7 Cb -0.12 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2ky9 s VAL 7 CO 0.20 0.00 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.25 2ky9 s ILE 8 N -2.99 0.95 -0.50 -0.62 1.01 -0.06 -0.31 121.20 118.67 2ky9 s ILE 8 Ca 0.24 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 2ky9 s ILE 8 Cb 0.06 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.72 2ky9 s ILE 8 CO 0.12 0.29 0.90 -0.63 0.00 0.00 0.00 174.94 175.63 2ky9 s ILE 9 N 0.25 4.47 -0.19 2.92 1.01 -0.44 -1.06 121.20 128.17 2ky9 s ILE 9 Ca -0.05 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 2ky9 s ILE 9 Cb -0.10 -4.46 -0.21 0.00 0.01 0.00 0.00 42.46 37.70 2ky9 s ILE 9 CO 0.01 -0.93 0.28 -0.55 0.00 0.00 0.00 174.94 173.75 2ky9 h ASN 10 N 9.16 0.08 -2.90 3.58 7.08 -1.59 -0.01 115.58 130.99 2ky9 h ASN 10 Ca -0.25 -0.62 -0.66 0.00 -3.08 0.00 0.00 56.30 51.69 2ky9 h ASN 10 Cb 1.08 -0.03 -0.08 0.00 -2.08 0.00 0.00 38.32 37.21 2ky9 h ASN 10 CO 1.04 1.53 -0.53 -0.89 -2.08 0.00 0.00 177.43 176.50 2ky9 s THR 11 N -2.39 5.11 0.06 6.14 2.01 -1.22 -4.67 115.64 120.68 2ky9 s THR 11 Ca -0.27 -0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 2ky9 s THR 11 Cb 0.05 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 69.33 2ky9 s THR 11 CO 0.63 0.47 0.55 -0.55 -0.69 0.00 0.00 174.62 175.03 2ky9 s SER 12 N -1.44 -0.48 -0.06 3.53 0.15 -1.26 -4.64 113.70 109.50 2ky9 s SER 12 Ca 0.20 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.86 2ky9 s SER 12 Cb -0.12 0.52 -0.30 0.00 -1.71 0.00 0.00 66.02 64.41 2ky9 s SER 12 CO 0.10 -0.77 0.71 0.45 1.20 0.00 0.00 173.24 174.93 2ky9 h HIS 13 N 2.61 0.59 -3.36 3.44 3.86 -1.98 -3.46 115.15 116.85 2ky9 h HIS 13 Ca -0.31 -0.43 -0.58 0.00 -1.16 0.00 0.00 60.37 57.89 2ky9 h HIS 13 Cb 1.23 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.59 2ky9 h HIS 13 CO 0.33 1.53 -0.06 -1.64 0.86 0.00 0.00 177.93 178.95 2ky9 s MET 14 N -2.50 4.33 0.46 2.45 -1.94 -1.26 -4.98 119.30 115.86 2ky9 s MET 14 Ca -0.16 0.53 0.32 0.00 -1.71 0.00 0.00 55.69 54.67 2ky9 s MET 14 Cb 0.04 -3.47 1.45 0.00 2.01 0.00 0.00 34.83 34.86 2ky9 s MET 14 CO 0.82 0.06 1.95 1.57 -0.01 0.00 0.00 175.02 179.41 2ky9 h LYS 15 N 6.90 0.00 0.00 2.03 5.09 -1.99 -1.55 116.57 127.06 2ky9 h LYS 15 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 2ky9 h LYS 15 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 2ky9 h LYS 15 CO 0.75 0.00 -0.58 0.41 -2.09 0.00 0.00 179.45 177.94 2ky9 n GLY 16 N -0.36 -1.26 0.12 0.07 0.00 -1.26 -4.24 105.19 98.26 2ky9 n GLY 16 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.00 -6.93 1.61 1.85 -1.66 -0.43 114.93 109.38 2ky9 h MET 17 Ca 0.00 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 58.57 2ky9 h MET 17 Cb 0.55 0.00 0.08 0.00 0.43 0.00 0.00 31.60 32.66 2ky9 h MET 17 CO 0.00 0.18 0.61 -1.59 -0.40 0.00 0.00 176.91 175.71 2ky9 s LYS 18 N -3.12 4.09 0.00 0.39 0.00 -1.22 -2.94 119.74 116.94 2ky9 s LYS 18 Ca -0.00 2.15 0.00 0.00 0.00 0.00 0.00 55.97 58.12 2ky9 s LYS 18 Cb 0.09 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 35.07 2ky9 s LYS 18 CO 0.78 -0.39 0.00 0.41 0.00 0.00 0.00 175.35 176.15 2ky9 n GLY 19 N 0.70 2.55 3.81 0.59 0.00 -0.02 -4.65 105.19 108.17 2ky9 n GLY 19 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.99 3.08 -0.42 4.61 0.00 -1.15 -4.82 121.76 120.07 2ky9 s ALA 20 Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 2ky9 s ALA 20 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2ky9 s ALA 20 CO 0.00 0.09 0.46 -1.83 0.00 0.00 0.00 175.76 174.48 2ky9 s GLU 21 N -2.84 3.16 0.46 0.00 -1.05 -1.26 -1.33 118.70 115.84 2ky9 s GLU 21 Ca 0.59 -0.68 0.08 0.00 -0.15 0.00 0.00 54.97 54.81 2ky9 s GLU 21 Cb -0.13 -3.95 0.02 0.00 -0.44 0.00 0.00 34.13 29.63 2ky9 s GLU 21 CO 0.17 -0.84 0.57 0.00 0.95 0.00 0.00 175.26 176.11 2ky9 s ALA 22 N 2.20 4.47 -0.12 -0.84 0.00 0.57 -4.34 121.76 123.71 2ky9 s ALA 22 Ca 0.13 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.31 2ky9 s ALA 22 Cb -0.17 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.55 2ky9 s ALA 22 CO 0.14 -0.40 -0.14 0.99 0.00 0.00 0.00 175.76 176.35 2ky9 s THR 23 N -2.46 1.44 -0.07 0.00 2.01 -0.31 -1.39 115.64 114.85 2ky9 s THR 23 Ca 0.54 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2ky9 s THR 23 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2ky9 s THR 23 CO 0.33 0.43 1.41 -0.69 -0.69 0.00 0.00 174.62 175.41 2ky9 s VAL 24 N 1.16 3.89 0.00 3.82 1.01 -0.50 -1.73 120.40 128.05 2ky9 s VAL 24 Ca -0.03 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2ky9 s VAL 24 Cb -0.14 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2ky9 s VAL 24 CO -0.04 -0.06 0.12 0.35 0.00 0.00 0.00 175.10 175.47 2ky9 n THR 25 N 5.10 0.00 -3.69 3.92 -2.24 -0.16 -0.82 114.28 116.39 2ky9 n THR 25 Ca 0.14 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2ky9 n THR 25 Cb 0.44 1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.42 -0.33 -0.09 3.38 0.00 -1.10 -4.91 107.32 103.85 2ky9 s GLY 26 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 2ky9 s GLY 26 CO 0.00 0.74 0.18 0.00 0.00 0.00 0.00 173.10 174.03 2ky9 s ALA 27 N -0.62 -0.29 -0.05 3.20 0.00 -1.26 -2.17 121.76 120.58 2ky9 s ALA 27 Ca -0.07 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2ky9 s ALA 27 Cb -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2ky9 s ALA 27 CO 0.04 -0.44 -0.06 0.71 0.00 0.00 0.00 175.76 176.01 2ky9 s TYR 28 N 1.93 0.90 -0.83 0.00 1.51 -0.31 -5.00 117.35 115.56 2ky9 s TYR 28 Ca -0.01 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 2ky9 s TYR 28 Cb -0.12 -0.74 0.22 0.00 -0.11 0.00 0.00 41.96 41.21 2ky9 s TYR 28 CO -0.07 -0.20 0.74 -0.51 -1.11 0.00 0.00 175.55 174.41 2ky9 s ASP 29 N 0.80 6.39 0.27 2.29 1.11 -1.26 -1.10 116.67 125.17 2ky9 s ASP 29 Ca -0.12 -3.00 0.02 0.00 0.18 0.00 0.00 52.55 49.63 2ky9 s ASP 29 Cb -0.14 -2.09 -0.05 0.00 1.07 0.00 0.00 42.92 41.71 2ky9 s ASP 29 CO 0.01 -0.43 0.11 0.28 1.18 0.00 0.00 175.17 176.32 2ky9 s THR 30 N -0.30 0.52 -0.48 -1.27 -1.32 -1.25 -5.06 115.64 106.47 2ky9 s THR 30 Ca 0.21 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.40 2ky9 s THR 30 Cb -0.12 -2.61 0.01 0.00 -1.51 0.00 0.00 72.50 68.27 2ky9 s THR 30 CO -0.08 0.00 1.42 -0.89 -2.21 0.00 0.00 174.62 172.86 2ky9 s THR 31 N -3.71 3.84 -0.41 5.08 2.01 -1.26 -3.93 115.64 117.26 2ky9 s THR 31 Ca 0.37 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.02 2ky9 s THR 31 Cb 0.07 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2ky9 s THR 31 CO 0.14 -0.94 0.34 0.00 -0.69 0.00 0.00 174.62 173.47 2ky9 s ALA 32 N 5.79 3.47 0.29 7.40 0.00 -0.06 -0.80 121.76 137.84 2ky9 s ALA 32 Ca 0.58 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 2ky9 s ALA 32 Cb -0.12 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 2ky9 s ALA 32 CO 0.29 -1.45 0.63 0.71 0.00 0.00 0.00 175.76 175.93 2ky9 s TYR 33 N 1.82 3.43 -0.28 0.00 2.02 -0.03 -1.75 117.35 122.56 2ky9 s TYR 33 Ca 0.07 0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 57.58 2ky9 s TYR 33 Cb -0.18 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 2ky9 s TYR 33 CO 0.11 0.15 0.20 0.08 -1.57 0.00 0.00 175.55 174.52 2ky9 s VAL 34 N -2.01 5.30 0.08 0.71 1.01 -0.51 -3.72 120.40 121.27 2ky9 s VAL 34 Ca 0.49 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.74 2ky9 s VAL 34 Cb -0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2ky9 s VAL 34 CO 0.24 0.25 -0.20 0.68 0.00 0.00 0.00 175.10 176.07 2ky9 s VAL 35 N 1.73 1.62 -0.16 2.92 -7.23 -1.21 -0.55 120.40 117.51 2ky9 s VAL 35 Ca 0.08 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2ky9 s VAL 35 Cb -0.16 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 2ky9 s VAL 35 CO 0.10 -0.01 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.81 2ky9 s SER 36 N -1.68 3.74 0.06 4.85 1.04 -0.58 -1.52 113.70 119.62 2ky9 s SER 36 Ca 0.06 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 2ky9 s SER 36 Cb -0.10 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.47 2ky9 s SER 36 CO 0.03 0.08 0.37 -0.72 0.98 0.00 0.00 173.24 173.98 2ky9 s TYR 37 N 0.87 -0.19 -0.30 5.02 1.13 -1.09 -1.22 117.35 121.57 2ky9 s TYR 37 Ca -0.04 0.04 -0.03 0.00 -1.41 0.00 0.00 57.07 55.63 2ky9 s TYR 37 Cb -0.15 0.18 0.04 0.00 -1.10 0.00 0.00 41.96 40.93 2ky9 s TYR 37 CO -0.01 -0.58 0.02 0.99 -2.51 0.00 0.00 175.55 173.46 2ky9 s THR 38 N -2.86 3.20 -0.18 -3.49 2.01 -1.26 -0.93 115.64 112.14 2ky9 s THR 38 Ca -0.03 -1.25 -0.36 0.00 0.31 0.00 0.00 61.69 60.37 2ky9 s THR 38 Cb 0.00 -2.80 -0.12 0.00 0.01 0.00 0.00 72.50 69.59 2ky9 s THR 38 CO -0.05 -0.08 1.90 -0.81 -0.69 0.00 0.00 174.62 174.90 2ky9 n PRO 39 N 4.68 1.79 0.22 4.92 -0.04 -1.26 -4.76 135.00 140.55 2ky9 n PRO 39 Ca -0.13 0.64 0.16 0.00 -0.04 0.00 0.00 63.50 64.12 2ky9 n PRO 39 Cb 0.44 -2.51 0.75 0.00 -0.04 0.00 0.00 33.50 32.14 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ky9 h THR 40 N 5.68 0.00 0.00 0.52 1.35 -1.53 -1.93 112.91 116.99 2ky9 h THR 40 Ca -0.45 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2ky9 h THR 40 Cb 1.29 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2ky9 h THR 40 CO 0.96 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 173.03 2ky9 n ASN 41 N -2.64 0.03 -0.33 5.36 5.15 -1.26 -4.88 115.26 116.69 2ky9 n ASN 41 Ca -0.01 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 2ky9 n ASN 41 Cb 0.15 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ky9 n GLY 42 N -0.38 0.54 0.00 8.20 0.00 -0.74 -5.07 105.19 107.74 2ky9 n GLY 42 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.33 2.69 3.62 -0.02 0.00 -1.11 -5.09 105.19 104.95 2ky9 n GLY 43 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 3.44 3.53 -0.01 1.61 -2.07 -1.26 -4.84 119.66 120.05 2ky9 s GLN 44 Ca 0.00 -0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 52.83 2ky9 s GLN 44 Cb 0.00 -2.98 -0.09 0.00 -1.09 0.00 0.00 33.01 28.85 2ky9 s GLN 44 CO 0.00 0.44 2.01 -2.13 -1.32 0.00 0.00 175.29 174.28 2ky9 n ARG 45 N 2.98 2.69 -2.78 9.60 0.63 -1.26 -4.49 116.66 124.04 2ky9 n ARG 45 Ca -0.18 0.96 -0.43 0.00 -0.92 0.00 0.00 57.85 57.29 2ky9 n ARG 45 Cb 0.53 -3.01 -0.04 0.00 0.45 0.00 0.00 32.46 30.39 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 4.99 4.43 -0.15 5.15 1.01 -0.10 -4.94 120.40 130.79 2ky9 s VAL 46 Ca 0.91 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.64 2ky9 s VAL 46 Cb -0.44 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.44 2ky9 s VAL 46 CO 0.42 -0.83 0.31 -1.81 0.00 0.00 0.00 175.10 173.19 2ky9 s ASP 47 N 2.25 6.47 -1.14 3.32 1.01 -1.26 -2.66 116.67 124.66 2ky9 s ASP 47 Ca 0.39 0.55 -0.12 0.00 0.71 0.00 0.00 52.55 54.09 2ky9 s ASP 47 Cb -0.10 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2ky9 s ASP 47 CO 0.26 0.10 0.82 1.41 0.21 0.00 0.00 175.17 177.98 2ky9 n HIS 48 N 3.49 -2.09 -2.35 4.23 8.25 -1.23 -4.95 115.22 120.57 2ky9 n HIS 48 Ca -0.12 0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 2ky9 n HIS 48 Cb 0.52 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.74 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 -3.48 3.11 -0.01 4.41 2.46 -0.58 -4.87 115.29 116.33 2ky9 s HIS 49 Ca 0.37 1.07 0.03 0.00 0.47 0.00 0.00 55.06 57.01 2ky9 s HIS 49 Cb -0.10 -3.52 -0.01 0.00 -0.13 0.00 0.00 32.58 28.82 2ky9 s HIS 49 CO 0.81 -1.78 -0.11 0.15 -2.47 0.00 0.00 174.74 171.34 2ky9 s LYS 50 N 2.02 0.95 -0.10 2.88 1.02 -1.26 -3.32 119.74 121.93 2ky9 s LYS 50 Ca 0.60 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.20 2ky9 s LYS 50 Cb -0.29 -0.91 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 2ky9 s LYS 50 CO 0.25 0.23 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.20 2ky9 s TRP 51 N -0.20 2.77 -0.03 3.18 0.52 -1.26 -4.94 118.94 118.98 2ky9 s TRP 51 Ca 0.03 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.69 2ky9 s TRP 51 Cb -0.05 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2ky9 s TRP 51 CO -0.00 -0.08 -0.07 0.14 0.02 0.00 0.00 176.95 176.96 2ky9 s VAL 52 N -0.01 3.66 0.29 4.03 -7.23 -1.24 -4.33 120.40 115.56 2ky9 s VAL 52 Ca -0.04 -0.63 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2ky9 s VAL 52 Cb -0.14 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2ky9 s VAL 52 CO 0.04 0.50 0.18 0.27 -0.31 0.00 0.00 175.10 175.78 2ky9 s ILE 53 N -0.90 3.87 0.19 -0.62 -4.36 -1.26 -0.85 121.20 117.27 2ky9 s ILE 53 Ca 0.15 -1.51 -0.13 0.00 -0.26 0.00 0.00 60.65 58.90 2ky9 s ILE 53 Cb -0.11 -3.20 0.13 0.00 1.25 0.00 0.00 42.46 40.53 2ky9 s ILE 53 CO 0.04 -0.29 1.69 -0.61 0.24 0.00 0.00 174.94 176.02 2ky9 h GLN 54 N 1.50 0.16 0.00 0.37 4.15 -1.33 -2.45 115.11 117.51 2ky9 h GLN 54 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2ky9 h GLN 54 Cb 1.25 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2ky9 h GLN 54 CO 0.60 0.11 0.00 0.39 -1.93 0.00 0.00 178.83 178.00 2ky9 n GLU 55 N -5.19 0.14 0.00 1.69 1.02 -1.26 -2.21 120.64 114.83 2ky9 n GLU 55 Ca 0.06 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2ky9 n GLU 55 Cb 0.28 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.45 2ky9 n GLU 55 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ky9 n GLU 56 N -1.41 0.20 -4.05 3.49 2.13 -0.92 -4.88 120.64 115.20 2ky9 n GLU 56 Ca 0.08 -0.12 -0.35 0.00 0.66 0.00 0.00 57.16 57.43 2ky9 n GLU 56 Cb 0.22 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 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 -2.88 5.04 0.05 6.31 1.01 -0.94 -2.88 121.20 126.90 2ky9 s ILE 57 Ca 0.14 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 2ky9 s ILE 57 Cb 0.18 -3.23 -0.17 0.00 0.01 0.00 0.00 42.46 39.25 2ky9 s ILE 57 CO 0.67 0.51 1.56 0.50 0.00 0.00 0.00 174.94 178.18 2ky9 h LYS 58 N 4.65 -0.04 0.00 2.79 3.64 -1.49 -3.26 116.57 122.86 2ky9 h LYS 58 Ca -0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2ky9 h LYS 58 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2ky9 h LYS 58 CO 0.60 0.14 0.00 -3.47 -2.27 0.00 0.00 179.45 174.45 2ky9 n ASP 59 N -5.02 0.00 -0.26 4.20 2.03 -1.26 -4.60 116.55 111.64 2ky9 n ASP 59 Ca -0.08 -0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 2ky9 n ASP 59 Cb 0.12 -0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ky9 n ALA 60 N -1.33 -0.20 -1.21 -1.67 0.00 -1.23 -4.81 120.51 110.05 2ky9 n ALA 60 Ca 0.12 0.62 -0.07 0.00 0.00 0.00 0.00 53.44 54.11 2ky9 n ALA 60 Cb 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.26 0.84 3.43 0.00 0.00 -1.26 -1.61 105.19 105.33 2ky9 n GLY 61 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.49 -1.88 -4.96 1.61 8.00 -1.26 -5.00 116.55 112.58 2ky9 n ASP 62 Ca -0.07 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.22 2ky9 n ASP 62 Cb 0.41 -2.27 -0.02 0.00 -0.02 0.00 0.00 41.12 39.22 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 -1.06 3.37 -0.48 -1.24 -2.85 -0.63 -5.07 119.74 111.78 2ky9 s LYS 63 Ca 0.00 -0.80 -0.27 0.00 -1.00 0.00 0.00 55.97 53.90 2ky9 s LYS 63 Cb 0.00 -2.86 0.03 0.00 -2.06 0.00 0.00 37.83 32.94 2ky9 s LYS 63 CO 0.00 0.40 1.01 0.99 0.10 0.00 0.00 175.35 177.85 2ky9 s THR 64 N -2.01 4.35 -0.08 3.79 2.01 -1.26 -4.92 115.64 117.53 2ky9 s THR 64 Ca 0.35 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 2ky9 s THR 64 Cb -0.09 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2ky9 s THR 64 CO 0.29 -0.94 1.39 -0.76 -0.69 0.00 0.00 174.62 173.90 2ky9 s LEU 65 N 4.06 4.26 0.09 4.42 1.43 -1.26 -5.02 118.68 126.67 2ky9 s LEU 65 Ca 0.40 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.43 2ky9 s LEU 65 Cb -0.09 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2ky9 s LEU 65 CO 0.28 -0.77 0.29 -1.10 0.23 0.00 0.00 176.35 175.29 2ky9 s GLN 66 N 3.15 3.54 -0.37 1.70 -0.21 -1.26 -4.72 119.66 121.50 2ky9 s GLN 66 Ca 0.62 -0.22 -0.41 0.00 0.02 0.00 0.00 55.36 55.37 2ky9 s GLN 66 Cb -0.28 -2.96 -0.16 0.00 1.00 0.00 0.00 33.01 30.62 2ky9 s GLN 66 CO 0.22 0.55 1.91 -2.30 -2.12 0.00 0.00 175.29 173.56 2ky9 n PRO 67 N 0.33 0.78 0.00 2.91 -0.02 -1.26 -1.89 135.00 135.85 2ky9 n PRO 67 Ca -0.05 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2ky9 n PRO 67 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 5.39 2.09 3.83 -1.23 0.00 -0.41 -5.04 105.19 109.82 2ky9 n GLY 68 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.85 6.26 -0.03 1.61 1.01 -0.79 -4.87 116.67 118.00 2ky9 s ASP 69 Ca 0.00 1.67 0.05 0.00 0.71 0.00 0.00 52.55 54.98 2ky9 s ASP 69 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2ky9 s ASP 69 CO 0.00 -0.84 -0.17 0.00 0.21 0.00 0.00 175.17 174.37 2ky9 s GLN 70 N -4.09 1.64 0.33 8.23 -2.07 -1.26 -0.98 119.66 121.46 2ky9 s GLN 70 Ca 0.61 -0.62 0.06 0.00 -1.82 0.00 0.00 55.36 53.59 2ky9 s GLN 70 Cb -0.13 -1.49 -0.02 0.00 -1.09 0.00 0.00 33.01 30.28 2ky9 s GLN 70 CO 0.34 0.30 0.31 1.33 -1.32 0.00 0.00 175.29 176.26 2ky9 n VAL 71 N 2.93 0.00 -4.54 3.63 0.24 -0.24 -4.96 118.33 115.39 2ky9 n VAL 71 Ca -0.17 -2.34 -0.30 0.00 -2.04 0.00 0.00 64.34 59.49 2ky9 n VAL 71 Cb 0.53 1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 33.98 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 -3.27 2.91 -0.23 1.34 -1.09 -1.26 -0.99 121.20 118.61 2ky9 s ILE 72 Ca 0.38 -1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 57.43 2ky9 s ILE 72 Cb 0.02 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2ky9 s ILE 72 CO 0.27 0.27 0.33 -0.76 -1.23 0.00 0.00 174.94 173.83 2ky9 s LEU 73 N -1.64 4.12 0.00 2.97 1.43 -1.23 -1.26 118.68 123.06 2ky9 s LEU 73 Ca 0.16 0.36 0.27 0.00 -1.03 0.00 0.00 54.13 53.89 2ky9 s LEU 73 Cb -0.11 -2.39 0.98 0.00 0.03 0.00 0.00 46.19 44.70 2ky9 s LEU 73 CO 0.07 -0.07 1.71 -0.62 0.23 0.00 0.00 176.35 177.67 2ky9 n GLU 74 N 4.64 0.57 -4.57 1.70 1.02 -1.14 -1.65 120.64 121.22 2ky9 n GLU 74 Ca -0.10 -0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 56.52 2ky9 n GLU 74 Cb 0.51 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.60 2.94 -0.12 0.62 0.00 -1.20 -5.00 121.76 116.41 2ky9 s ALA 75 Ca 0.24 -2.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.04 2ky9 s ALA 75 Cb 0.19 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.71 2ky9 s ALA 75 CO 0.53 -0.18 0.26 -1.54 0.00 0.00 0.00 175.76 174.82 2ky9 s SER 76 N -3.64 -0.14 0.06 0.00 1.04 -1.26 -3.82 113.70 105.94 2ky9 s SER 76 Ca 0.34 0.57 0.06 0.00 0.48 0.00 0.00 55.95 57.39 2ky9 s SER 76 Cb 0.09 0.50 -0.23 0.00 0.10 0.00 0.00 66.02 66.48 2ky9 s SER 76 CO 0.16 -0.18 1.07 0.45 0.98 0.00 0.00 173.24 175.72 2ky9 h HIS 77 N 7.44 0.11 -1.74 5.02 3.86 -2.01 -3.49 115.15 124.35 2ky9 h HIS 77 Ca -0.34 -0.08 -0.60 0.00 -1.16 0.00 0.00 60.37 58.18 2ky9 h HIS 77 Cb 1.15 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.48 2ky9 h HIS 77 CO 0.35 1.08 -0.52 -1.64 0.86 0.00 0.00 177.93 178.06 2ky9 s MET 78 N -2.67 2.02 -0.04 2.45 -1.94 -1.26 -5.12 119.30 112.74 2ky9 s MET 78 Ca -0.02 -2.25 -0.28 0.00 -1.71 0.00 0.00 55.69 51.43 2ky9 s MET 78 Cb 0.09 -1.01 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 2ky9 s MET 78 CO 0.83 -0.41 0.91 0.15 -0.01 0.00 0.00 175.02 176.49 2ky9 s LYS 79 N -3.78 4.49 0.00 2.03 1.02 -1.26 -3.44 119.74 118.80 2ky9 s LYS 79 Ca 0.18 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2ky9 s LYS 79 Cb 0.03 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2ky9 s LYS 79 CO 0.10 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 2ky9 n GLY 80 N 3.02 0.50 0.12 -3.33 0.00 -1.26 -4.62 105.19 99.62 2ky9 n GLY 80 Ca 0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 0.94 0.23 -6.49 1.61 -1.53 -1.92 -1.29 114.93 106.48 2ky9 h MET 81 Ca 0.00 -0.39 -0.53 0.00 -3.44 0.00 0.00 59.70 55.34 2ky9 h MET 81 Cb 0.00 0.14 0.02 0.00 -0.55 0.00 0.00 31.60 31.21 2ky9 h MET 81 CO 0.00 1.18 0.84 0.21 0.14 0.00 0.00 176.91 179.29 2ky9 s LYS 82 N -2.47 4.26 0.00 0.39 2.20 -1.25 -2.56 119.74 120.31 2ky9 s LYS 82 Ca -0.20 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 2ky9 s LYS 82 Cb 0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2ky9 s LYS 82 CO 0.75 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 2ky9 n GLY 83 N 3.70 2.51 3.78 5.54 0.00 -0.66 -4.99 105.19 115.08 2ky9 n GLY 83 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 2.68 -0.38 4.61 0.00 -1.06 -4.80 121.76 120.45 2ky9 s ALA 84 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 2ky9 s ALA 84 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2ky9 s ALA 84 CO 0.00 -0.82 0.92 0.99 0.00 0.00 0.00 175.76 176.85 2ky9 s THR 85 N -2.11 4.58 -0.20 0.00 2.01 -1.26 -3.49 115.64 115.17 2ky9 s THR 85 Ca 0.68 1.15 -0.10 0.00 0.31 0.00 0.00 61.69 63.74 2ky9 s THR 85 Cb -0.20 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 2ky9 s THR 85 CO 0.32 -0.56 0.12 0.00 -0.69 0.00 0.00 174.62 173.81 2ky9 s ALA 86 N 3.49 3.66 -0.31 7.40 0.00 -0.16 -4.38 121.76 131.46 2ky9 s ALA 86 Ca 0.38 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 2ky9 s ALA 86 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2ky9 s ALA 86 CO 0.19 0.17 0.22 -2.00 0.00 0.00 0.00 175.76 174.34 2ky9 s GLU 87 N 0.34 3.72 -0.71 0.00 2.12 -0.36 -1.08 118.70 122.73 2ky9 s GLU 87 Ca 0.08 -0.48 -0.26 0.00 0.36 0.00 0.00 54.97 54.67 2ky9 s GLU 87 Cb -0.11 -3.74 -0.08 0.00 0.26 0.00 0.00 34.13 30.46 2ky9 s GLU 87 CO -0.02 -0.32 2.19 0.42 -0.54 0.00 0.00 175.26 176.99 2ky9 s ILE 88 N 1.75 3.18 0.24 -3.70 -1.09 -0.15 -1.52 121.20 119.90 2ky9 s ILE 88 Ca 0.07 -0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 2ky9 s ILE 88 Cb -0.17 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2ky9 s ILE 88 CO 0.11 -0.41 1.57 -0.78 -1.23 0.00 0.00 174.94 174.19 2ky9 h ASP 89 N 14.54 0.31 -5.09 3.58 3.58 -1.15 -1.09 116.42 131.11 2ky9 h ASP 89 Ca -0.09 -0.17 0.16 0.00 0.42 0.00 0.00 57.03 57.35 2ky9 h ASP 89 Cb 1.10 -0.09 -0.11 0.00 1.72 0.00 0.00 39.33 41.95 2ky9 h ASP 89 CO 1.13 0.82 0.50 -0.55 -2.88 0.00 0.00 179.24 178.27 2ky9 s SER 90 N -6.90 -0.24 -0.05 2.28 0.15 -0.88 -4.80 113.70 103.27 2ky9 s SER 90 Ca -0.04 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.38 2ky9 s SER 90 Cb 0.12 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 2ky9 s SER 90 CO 0.80 -0.78 -0.08 0.00 1.20 0.00 0.00 173.24 174.38 2ky9 s ALA 91 N -3.20 0.90 -0.01 5.45 0.00 -1.26 -1.43 121.76 122.21 2ky9 s ALA 91 Ca 0.10 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.86 2ky9 s ALA 91 Cb -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2ky9 s ALA 91 CO -0.02 0.07 -0.12 -2.00 0.00 0.00 0.00 175.76 173.69 2ky9 s GLU 92 N 0.63 1.01 -0.69 0.00 2.12 -0.72 -4.99 118.70 116.06 2ky9 s GLU 92 Ca -0.10 -0.45 -0.18 0.00 0.36 0.00 0.00 54.97 54.60 2ky9 s GLU 92 Cb -0.13 -0.98 0.12 0.00 0.26 0.00 0.00 34.13 33.40 2ky9 s GLU 92 CO 0.01 0.27 0.81 0.15 -0.54 0.00 0.00 175.26 175.96 2ky9 s LYS 93 N -0.29 3.23 0.07 4.30 -0.14 -1.26 -0.89 119.74 124.76 2ky9 s LYS 93 Ca 0.05 -1.54 0.01 0.00 -1.36 0.00 0.00 55.97 53.13 2ky9 s LYS 93 Cb -0.05 -4.41 -0.04 0.00 -1.68 0.00 0.00 37.83 31.66 2ky9 s LYS 93 CO -0.00 -1.57 -0.05 -0.08 -0.76 0.00 0.00 175.35 172.88 2ky9 s THR 94 N 2.41 0.48 -0.14 2.17 -1.32 -1.25 -5.03 115.64 112.95 2ky9 s THR 94 Ca 0.17 -1.64 -0.23 0.00 -1.21 0.00 0.00 61.69 58.78 2ky9 s THR 94 Cb -0.18 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2ky9 s THR 94 CO 0.01 -0.78 0.73 -0.89 -2.21 0.00 0.00 174.62 171.49 2ky9 s THR 95 N -3.06 4.98 -0.05 5.08 2.01 -1.26 -3.95 115.64 119.39 2ky9 s THR 95 Ca 0.04 1.45 0.05 0.00 0.31 0.00 0.00 61.69 63.54 2ky9 s THR 95 Cb 0.02 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2ky9 s THR 95 CO -0.05 0.13 -0.20 0.68 -0.69 0.00 0.00 174.62 174.49 2ky9 s VAL 96 N 1.61 2.51 0.31 3.82 -7.23 -0.26 -3.74 120.40 117.42 2ky9 s VAL 96 Ca 0.35 -0.92 0.09 0.00 -1.81 0.00 0.00 61.98 59.69 2ky9 s VAL 96 Cb -0.17 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 2ky9 s VAL 96 CO 0.14 0.58 -0.10 -0.31 -0.31 0.00 0.00 175.10 175.10 2ky9 s TYR 97 N -0.49 2.21 -0.21 2.82 1.51 0.85 -1.16 117.35 122.89 2ky9 s TYR 97 Ca 0.06 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2ky9 s TYR 97 Cb -0.11 -1.22 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2ky9 s TYR 97 CO 0.01 0.50 -0.16 1.41 -1.11 0.00 0.00 175.55 176.20 2ky9 s MET 98 N -3.63 2.79 0.09 -0.62 -2.45 -0.92 -2.71 119.30 111.85 2ky9 s MET 98 Ca 0.31 -0.98 0.08 0.00 -1.25 0.00 0.00 55.69 53.85 2ky9 s MET 98 Cb 0.02 -2.70 -0.03 0.00 1.25 0.00 0.00 34.83 33.36 2ky9 s MET 98 CO 0.14 -0.32 -0.20 0.14 1.05 0.00 0.00 175.02 175.83 2ky9 s VAL 99 N 1.25 1.64 -0.23 10.11 -7.23 -0.41 -0.99 120.40 124.53 2ky9 s VAL 99 Ca 0.01 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2ky9 s VAL 99 Cb -0.15 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.32 2ky9 s VAL 99 CO -0.10 -0.06 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.73 2ky9 s ASP 100 N -1.84 4.07 0.34 4.85 1.11 -0.71 -0.70 116.67 123.79 2ky9 s ASP 100 Ca 0.05 -0.77 0.05 0.00 0.18 0.00 0.00 52.55 52.07 2ky9 s ASP 100 Cb -0.10 -1.63 -0.03 0.00 1.07 0.00 0.00 42.92 42.23 2ky9 s ASP 100 CO 0.04 -0.09 0.21 -0.72 1.18 0.00 0.00 175.17 175.79 2ky9 s TYR 101 N 1.33 1.70 -0.12 4.23 1.13 -0.51 -1.16 117.35 123.95 2ky9 s TYR 101 Ca 0.02 -1.50 0.02 0.00 -1.41 0.00 0.00 57.07 54.19 2ky9 s TYR 101 Cb -0.16 -0.85 0.01 0.00 -1.10 0.00 0.00 41.96 39.87 2ky9 s TYR 101 CO -0.06 -0.65 -0.17 0.99 -2.51 0.00 0.00 175.55 173.15 2ky9 s THR 102 N -3.45 1.65 0.16 -3.49 2.01 -1.26 -0.91 115.64 110.35 2ky9 s THR 102 Ca 0.35 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 2ky9 s THR 102 Cb 0.03 -1.50 -0.11 0.00 0.01 0.00 0.00 72.50 70.93 2ky9 s THR 102 CO 0.22 0.47 1.74 -0.55 -0.69 0.00 0.00 174.62 175.81 2ky9 s SER 103 N 0.97 6.44 0.07 3.53 0.15 -0.46 -4.65 113.70 119.76 2ky9 s SER 103 Ca -0.06 2.76 -0.18 0.00 0.70 0.00 0.00 55.95 59.18 2ky9 s SER 103 Cb -0.15 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.47 2ky9 s SER 103 CO -0.02 -0.96 1.40 0.71 1.20 0.00 0.00 173.24 175.57 2ky9 h THR 104 N 4.25 1.32 0.00 6.45 1.35 -1.33 -2.13 112.91 122.82 2ky9 h THR 104 Ca -0.44 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.09 2ky9 h THR 104 Cb 1.21 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2ky9 h THR 104 CO 0.95 0.41 -0.07 0.74 -0.25 0.00 0.00 175.52 177.29 2ky9 h THR 105 N 0.23 0.43 0.00 6.82 2.02 -1.85 -3.40 112.91 117.16 2ky9 h THR 105 Ca 0.04 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 2ky9 h THR 105 Cb 0.72 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2ky9 h THR 105 CO 0.05 0.15 -0.74 0.28 0.37 0.00 0.00 175.52 175.63 2ky9 h SER 106 N -1.00 0.00 0.00 4.18 0.02 -1.85 -3.48 113.55 111.42 2ky9 h SER 106 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ky9 h SER 106 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2ky9 h SER 106 CO -0.01 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 2ky9 n GLY 107 N 1.19 2.93 3.69 -3.77 0.00 -0.80 -5.00 105.19 103.42 2ky9 n GLY 107 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.35 4.18 -0.68 1.61 2.12 -1.26 -4.29 118.70 120.03 2ky9 s GLU 108 Ca 0.00 2.41 -0.26 0.00 0.36 0.00 0.00 54.97 57.47 2ky9 s GLU 108 Cb 0.00 -3.63 0.04 0.00 0.26 0.00 0.00 34.13 30.80 2ky9 s GLU 108 CO 0.00 -0.78 1.19 0.15 -0.54 0.00 0.00 175.26 175.28 2ky9 s LYS 109 N 2.78 3.27 -0.29 4.30 1.02 -1.26 -1.35 119.74 128.21 2ky9 s LYS 109 Ca 0.76 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 56.43 2ky9 s LYS 109 Cb -0.41 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 32.72 2ky9 s LYS 109 CO 0.34 -1.94 0.25 0.08 -0.92 0.00 0.00 175.35 173.16 2ky9 s VAL 110 N 5.18 5.26 -0.11 3.17 1.01 -0.09 -4.98 120.40 129.85 2ky9 s VAL 110 Ca 0.35 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2ky9 s VAL 110 Cb -0.09 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2ky9 s VAL 110 CO 0.17 0.18 0.03 -1.59 0.00 0.00 0.00 175.10 173.89 2ky9 s LYS 111 N 1.85 3.28 -1.45 2.72 0.00 -1.26 -1.43 119.74 123.45 2ky9 s LYS 111 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 55.97 55.59 2ky9 s LYS 111 Cb -0.16 -2.94 0.05 0.00 0.00 0.00 0.00 37.83 34.77 2ky9 s LYS 111 CO 0.11 0.61 1.09 0.09 0.00 0.00 0.00 175.35 177.24 2ky9 n ASN 112 N 2.45 -5.58 -4.73 0.03 4.13 -1.19 -4.96 115.26 105.41 2ky9 n ASN 112 Ca -0.18 -0.66 -0.42 0.00 1.68 0.00 0.00 54.58 55.00 2ky9 n ASN 112 Cb 0.54 -4.44 -0.03 0.00 -1.54 0.00 0.00 39.78 34.31 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 -3.31 3.03 0.00 3.10 2.46 0.12 -4.71 115.29 115.98 2ky9 s HIS 113 Ca 0.63 0.85 -0.18 0.00 0.47 0.00 0.00 55.06 56.82 2ky9 s HIS 113 Cb -0.30 -3.88 0.03 0.00 -0.13 0.00 0.00 32.58 28.31 2ky9 s HIS 113 CO 0.78 -3.03 0.39 -1.59 -2.47 0.00 0.00 174.74 168.83 2ky9 s LYS 114 N 0.28 0.81 -0.01 2.88 -2.85 -1.26 -1.29 119.74 118.29 2ky9 s LYS 114 Ca 0.64 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.41 2ky9 s LYS 114 Cb -0.43 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.67 2ky9 s LYS 114 CO 0.38 -0.25 0.04 -1.58 0.10 0.00 0.00 175.35 174.05 2ky9 s TRP 115 N -1.74 3.20 0.06 1.78 0.52 -1.26 -4.93 118.94 116.57 2ky9 s TRP 115 Ca -0.10 0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.23 2ky9 s TRP 115 Cb -0.03 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 2ky9 s TRP 115 CO 0.03 0.51 -0.14 0.14 0.02 0.00 0.00 176.95 177.51 2ky9 s VAL 116 N -1.12 1.09 0.50 4.03 -7.23 -1.10 -4.26 120.40 112.31 2ky9 s VAL 116 Ca 0.20 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.18 2ky9 s VAL 116 Cb -0.12 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.80 2ky9 s VAL 116 CO 0.11 -0.17 0.71 0.42 -0.31 0.00 0.00 175.10 175.86 2ky9 s THR 117 N -1.17 3.06 0.19 5.32 -4.23 -1.26 -0.11 115.64 117.44 2ky9 s THR 117 Ca -0.01 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.02 2ky9 s THR 117 Cb -0.09 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.80 2ky9 s THR 117 CO 0.02 -0.08 1.79 -0.08 -0.54 0.00 0.00 174.62 175.73 2ky9 h GLU 118 N 0.25 0.00 0.00 3.99 4.81 -1.93 -2.08 114.58 119.62 2ky9 h GLU 118 Ca -0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2ky9 h GLU 118 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2ky9 h GLU 118 CO 0.52 0.31 -0.00 0.22 -0.73 0.00 0.00 179.01 179.34 2ky9 h ASP 119 N 0.00 0.00 -0.02 1.04 3.58 -1.95 -2.09 116.42 116.99 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 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2ky9 h ASP 119 CO 0.04 0.00 -0.26 -0.62 -2.88 0.00 0.00 179.24 175.52 2ky9 n GLU 120 N -3.08 1.69 -4.44 0.28 1.02 -0.79 -4.51 120.64 110.81 2ky9 n GLU 120 Ca -0.03 -1.38 -0.25 0.00 -0.02 0.00 0.00 57.16 55.48 2ky9 n GLU 120 Cb 0.08 -1.45 -0.11 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 -2.20 2.57 -0.10 -4.62 1.43 -0.79 -1.51 118.68 113.47 2ky9 s LEU 121 Ca 0.22 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2ky9 s LEU 121 Cb 0.18 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 45.28 2ky9 s LEU 121 CO 0.44 0.07 0.20 -0.55 0.23 0.00 0.00 176.35 176.74 2ky9 s SER 122 N -3.16 0.36 -0.13 2.29 0.15 -0.22 -4.82 113.70 108.17 2ky9 s SER 122 Ca 0.26 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 57.06 2ky9 s SER 122 Cb -0.06 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2ky9 s SER 122 CO 0.13 -0.22 1.63 0.00 1.20 0.00 0.00 173.24 175.99 2ky9 s ALA 123 N 2.03 3.45 -0.14 5.45 0.00 -1.26 -0.88 121.76 130.41 2ky9 s ALA 123 Ca -0.01 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 2ky9 s ALA 123 Cb -0.12 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2ky9 s ALA 123 CO -0.07 -1.65 0.02 0.21 0.00 0.00 0.00 175.76 174.27 2ky9 s LYS 124 N 4.33 3.57 -0.04 0.00 2.20 -0.29 -4.94 119.74 124.57 2ky9 s LYS 124 Ca 0.72 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 56.00 2ky9 s LYS 124 Cb -0.29 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 2ky9 s LYS 124 CO 0.29 0.43 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.30 2ky9 s LEU 125 N -0.10 2.19 -0.05 5.43 2.96 -1.26 -4.68 118.68 123.17 2ky9 s LEU 125 Ca 0.05 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2ky9 s LEU 125 Cb -0.12 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.18 2ky9 s LEU 125 CO 0.02 0.29 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.60 2ky9 s GLU 126 N -0.42 1.54 -0.07 1.98 2.02 -1.26 -5.14 118.70 117.35 2ky9 s GLU 126 Ca 0.04 -0.42 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 2ky9 s GLU 126 Cb -0.12 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.77 2ky9 s GLU 126 CO 0.01 0.09 0.77 -1.58 0.02 0.00 0.00 175.26 174.57 2ky9 s HIS 127 N 0.44 3.57 0.00 1.61 5.65 -1.26 -5.03 115.29 120.27 2ky9 s HIS 127 Ca -0.10 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.54 2ky9 s HIS 127 Cb -0.13 -2.90 0.00 0.00 -1.18 0.00 0.00 32.58 28.37 2ky9 s HIS 127 CO 0.03 0.02 0.97 0.72 -0.65 0.00 0.00 174.74 175.83 2ky9 n HIS 128 N 4.03 0.00 -2.35 3.88 -0.00 -1.26 -3.33 115.22 116.19 2ky9 n HIS 128 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 2ky9 n HIS 128 Cb 0.51 -0.47 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 2ky9 n HIS 128 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ky9 n HIS 129 N -2.10 3.62 0.05 4.41 -0.00 -1.26 -4.71 115.22 115.22 2ky9 n HIS 129 Ca 0.00 -2.95 -0.13 0.00 0.46 0.00 0.00 57.72 55.10 2ky9 n HIS 129 Cb 0.00 -2.18 -0.14 0.00 -0.12 0.00 0.00 29.99 27.55 2ky9 n HIS 129 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2ky9 h HIS 130 N 6.23 0.29 -2.88 1.57 -0.00 -1.99 -3.45 115.15 114.92 2ky9 h HIS 130 Ca 0.42 -0.21 -0.56 0.00 -0.00 0.00 0.00 60.37 60.01 2ky9 h HIS 130 Cb 0.70 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.06 2ky9 h HIS 130 CO 1.28 1.24 0.98 -1.58 -0.00 0.00 0.00 177.93 179.85 2ky9 s HIS 131 N -2.64 2.55 -2.73 6.12 2.46 -1.26 -5.14 115.29 114.65 2ky9 s HIS 131 Ca -0.06 0.77 0.26 0.00 0.47 0.00 0.00 55.06 56.51 2ky9 s HIS 131 Cb 0.08 -3.73 0.65 0.00 -0.13 0.00 0.00 32.58 29.45 2ky9 s HIS 131 CO 0.84 -2.25 1.52 0.72 -2.47 0.00 0.00 174.74 173.10