#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 4.26 0.08 0.03 2.20 -1.26 -4.90 119.74 120.15 2ky9 s LYS 2 Ca 0.00 0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 56.16 2ky9 s LYS 2 Cb 0.00 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.25 2ky9 s LYS 2 CO 0.00 0.46 1.55 0.08 -0.36 0.00 0.00 175.35 177.08 2ky9 s VAL 3 N -1.40 3.15 0.00 4.02 1.01 -1.26 -2.04 120.40 123.88 2ky9 s VAL 3 Ca 0.39 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2ky9 s VAL 3 Cb -0.18 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2ky9 s VAL 3 CO 0.21 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2ky9 n GLY 4 N 3.81 0.99 3.92 4.51 0.00 -0.08 -5.02 105.19 113.31 2ky9 n GLY 4 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.82 6.14 -0.03 1.61 0.15 -0.87 -4.92 113.70 113.96 2ky9 s SER 5 Ca 0.00 0.78 0.07 0.00 0.70 0.00 0.00 55.95 57.49 2ky9 s SER 5 Cb 0.00 -2.08 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2ky9 s SER 5 CO 0.00 -0.62 -0.23 -1.58 1.20 0.00 0.00 173.24 172.01 2ky9 s GLN 6 N -4.70 2.01 0.26 5.44 0.74 -1.26 -1.20 119.66 120.95 2ky9 s GLN 6 Ca 0.47 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 55.07 2ky9 s GLN 6 Cb -0.10 -1.87 -0.05 0.00 1.10 0.00 0.00 33.01 32.09 2ky9 s GLN 6 CO 0.43 0.46 0.11 0.14 -0.55 0.00 0.00 175.29 175.88 2ky9 s VAL 7 N -0.42 0.46 -0.06 1.34 -7.23 -0.04 -4.48 120.40 109.97 2ky9 s VAL 7 Ca 0.05 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2ky9 s VAL 7 Cb -0.10 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2ky9 s VAL 7 CO 0.00 0.00 0.05 -0.63 -0.31 0.00 0.00 175.10 174.21 2ky9 s ILE 8 N -3.76 4.62 0.14 -0.62 -1.09 -0.01 -0.53 121.20 119.95 2ky9 s ILE 8 Ca 0.37 -0.24 -0.31 0.00 -2.23 0.00 0.00 60.65 58.24 2ky9 s ILE 8 Cb 0.07 -3.02 -0.10 0.00 -1.58 0.00 0.00 42.46 37.84 2ky9 s ILE 8 CO 0.14 0.52 1.55 -0.63 -1.23 0.00 0.00 174.94 175.29 2ky9 s ILE 9 N -1.01 2.77 -0.37 2.92 -1.09 -0.67 -0.86 121.20 122.88 2ky9 s ILE 9 Ca 0.17 0.52 0.13 0.00 -2.23 0.00 0.00 60.65 59.23 2ky9 s ILE 9 Cb -0.12 -3.33 -0.16 0.00 -1.58 0.00 0.00 42.46 37.27 2ky9 s ILE 9 CO 0.07 0.03 0.44 -3.20 -1.23 0.00 0.00 174.94 171.05 2ky9 n ASN 10 N 4.19 1.16 -3.80 3.58 5.15 -0.37 -4.28 115.26 120.89 2ky9 n ASN 10 Ca 0.14 -0.48 -0.13 0.00 -0.60 0.00 0.00 54.58 53.51 2ky9 n ASN 10 Cb 0.39 1.24 -0.12 0.00 -0.53 0.00 0.00 39.78 40.76 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ky9 s THR 11 N -2.48 -0.00 -0.23 -0.44 2.01 -0.86 -4.91 115.64 108.73 2ky9 s THR 11 Ca 0.01 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 2ky9 s THR 11 Cb 0.09 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.32 2ky9 s THR 11 CO 0.53 0.01 -0.06 -0.94 -0.69 0.00 0.00 174.62 173.47 2ky9 s SER 12 N 0.20 4.21 -0.08 3.53 1.04 -1.26 -4.88 113.70 116.45 2ky9 s SER 12 Ca -0.01 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2ky9 s SER 12 Cb -0.02 -1.70 -0.25 0.00 0.10 0.00 0.00 66.02 64.15 2ky9 s SER 12 CO -0.00 -0.05 0.52 0.45 0.98 0.00 0.00 173.24 175.13 2ky9 h HIS 13 N 8.08 0.32 -2.98 5.02 3.86 -1.95 -3.47 115.15 124.03 2ky9 h HIS 13 Ca -0.39 -0.24 -0.61 0.00 -1.16 0.00 0.00 60.37 57.97 2ky9 h HIS 13 Cb 1.14 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 2ky9 h HIS 13 CO 0.57 1.48 -0.33 1.41 0.86 0.00 0.00 177.93 181.92 2ky9 s MET 14 N -2.58 3.65 0.53 2.45 -2.45 -1.26 -5.02 119.30 114.62 2ky9 s MET 14 Ca -0.15 0.03 0.29 0.00 -1.25 0.00 0.00 55.69 54.61 2ky9 s MET 14 Cb 0.07 -3.05 1.46 0.00 1.25 0.00 0.00 34.83 34.56 2ky9 s MET 14 CO 0.80 0.62 2.06 1.57 1.05 0.00 0.00 175.02 181.11 2ky9 h LYS 15 N 3.90 0.00 -0.01 4.11 5.09 -2.01 -1.87 116.57 125.77 2ky9 h LYS 15 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 2ky9 h LYS 15 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 2ky9 h LYS 15 CO 0.66 0.11 -0.11 0.41 -2.09 0.00 0.00 179.45 178.43 2ky9 n GLY 16 N -0.54 -0.30 0.07 0.07 0.00 -1.26 -4.33 105.19 98.90 2ky9 n GLY 16 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 1.79 0.00 -6.35 1.61 4.05 -1.72 -2.02 114.93 112.30 2ky9 h MET 17 Ca 0.00 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.89 2ky9 h MET 17 Cb 0.49 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2ky9 h MET 17 CO 0.00 0.87 1.24 0.21 0.23 0.00 0.00 176.91 179.46 2ky9 s LYS 18 N -2.73 4.12 0.00 0.39 2.20 -1.26 -2.20 119.74 120.26 2ky9 s LYS 18 Ca 0.01 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 2ky9 s LYS 18 Cb 0.09 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2ky9 s LYS 18 CO 0.81 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 2ky9 n GLY 19 N 4.58 0.93 3.79 5.54 0.00 -1.26 -4.68 105.19 114.10 2ky9 n GLY 19 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.74 2.90 -0.56 4.61 0.00 -0.94 -4.83 121.76 119.20 2ky9 s ALA 20 Ca 0.00 0.63 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 2ky9 s ALA 20 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2ky9 s ALA 20 CO 0.00 -0.31 0.73 -2.00 0.00 0.00 0.00 175.76 174.18 2ky9 s GLU 21 N -3.14 3.11 0.33 0.00 2.12 -1.26 -1.68 118.70 118.19 2ky9 s GLU 21 Ca 0.66 -0.97 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2ky9 s GLU 21 Cb -0.17 -4.17 -0.09 0.00 0.26 0.00 0.00 34.13 29.96 2ky9 s GLU 21 CO 0.21 -1.44 0.73 0.00 -0.54 0.00 0.00 175.26 174.22 2ky9 s ALA 22 N 2.99 3.33 -0.19 6.30 0.00 0.31 -4.20 121.76 130.29 2ky9 s ALA 22 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2ky9 s ALA 22 Cb -0.20 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.21 2ky9 s ALA 22 CO 0.10 0.29 -0.12 0.99 0.00 0.00 0.00 175.76 177.03 2ky9 s THR 23 N -2.03 1.72 -0.73 0.00 2.01 0.54 -0.86 115.64 116.29 2ky9 s THR 23 Ca 0.54 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.28 2ky9 s THR 23 Cb -0.10 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 2ky9 s THR 23 CO 0.19 0.24 1.74 -0.69 -0.69 0.00 0.00 174.62 175.41 2ky9 s VAL 24 N 1.37 3.49 -2.09 3.82 1.01 -0.34 -1.28 120.40 126.38 2ky9 s VAL 24 Ca -0.00 0.03 0.23 0.00 0.00 0.00 0.00 61.98 62.24 2ky9 s VAL 24 Cb -0.16 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2ky9 s VAL 24 CO -0.09 -1.18 1.17 0.35 0.00 0.00 0.00 175.10 175.36 2ky9 n THR 25 N 7.19 0.00 -3.68 3.92 -2.24 -0.31 -0.90 114.28 118.26 2ky9 n THR 25 Ca 0.23 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2ky9 n THR 25 Cb 0.50 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.44 -0.43 -0.25 3.38 0.00 -0.91 -4.88 107.32 101.79 2ky9 s GLY 26 Ca 0.20 1.64 0.01 0.00 0.00 0.00 0.00 44.72 46.57 2ky9 s GLY 26 CO 0.54 1.43 -0.05 0.00 0.00 0.00 0.00 173.10 175.02 2ky9 s ALA 27 N 0.37 2.11 -0.30 3.20 0.00 -1.26 -1.52 121.76 124.36 2ky9 s ALA 27 Ca -0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.38 2ky9 s ALA 27 Cb -0.04 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.60 2ky9 s ALA 27 CO -0.00 -1.26 0.03 0.71 0.00 0.00 0.00 175.76 175.25 2ky9 s TYR 28 N 1.32 3.19 -1.09 0.00 1.51 -0.39 -5.02 117.35 116.87 2ky9 s TYR 28 Ca -0.04 -1.49 -0.13 0.00 -1.01 0.00 0.00 57.07 54.41 2ky9 s TYR 28 Cb -0.19 -2.18 0.21 0.00 -0.11 0.00 0.00 41.96 39.70 2ky9 s TYR 28 CO -0.07 -0.72 1.18 0.34 -1.11 0.00 0.00 175.55 175.17 2ky9 s ASP 29 N 1.36 7.07 0.35 2.29 2.15 -1.26 -1.00 116.67 127.63 2ky9 s ASP 29 Ca -0.01 -3.07 0.05 0.00 0.43 0.00 0.00 52.55 49.94 2ky9 s ASP 29 Cb -0.18 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2ky9 s ASP 29 CO 0.00 -0.59 0.18 0.28 -0.17 0.00 0.00 175.17 174.88 2ky9 s THR 30 N 0.44 0.32 -0.13 1.71 -1.32 -1.25 -5.01 115.64 110.40 2ky9 s THR 30 Ca 0.34 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.57 2ky9 s THR 30 Cb -0.07 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.46 2ky9 s THR 30 CO -0.05 0.00 0.76 -0.89 -2.21 0.00 0.00 174.62 172.23 2ky9 s THR 31 N -3.41 4.96 0.15 5.08 2.01 -1.26 -2.92 115.64 120.24 2ky9 s THR 31 Ca 0.33 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.88 2ky9 s THR 31 Cb 0.03 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2ky9 s THR 31 CO 0.19 0.12 0.19 0.00 -0.69 0.00 0.00 174.62 174.43 2ky9 s ALA 32 N 1.63 3.72 0.02 7.40 0.00 -0.08 -2.33 121.76 132.12 2ky9 s ALA 32 Ca 0.37 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2ky9 s ALA 32 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 2ky9 s ALA 32 CO 0.14 0.54 -0.05 0.71 0.00 0.00 0.00 175.76 177.11 2ky9 s TYR 33 N -1.72 0.41 -0.26 0.00 2.02 0.74 -1.71 117.35 116.84 2ky9 s TYR 33 Ca 0.32 -0.33 -0.10 0.00 -0.37 0.00 0.00 57.07 56.60 2ky9 s TYR 33 Cb -0.11 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 2ky9 s TYR 33 CO 0.25 -0.08 0.14 0.08 -1.57 0.00 0.00 175.55 174.38 2ky9 s VAL 34 N -0.88 5.02 0.27 0.71 1.01 -0.63 -2.57 120.40 123.34 2ky9 s VAL 34 Ca -0.07 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2ky9 s VAL 34 Cb -0.07 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2ky9 s VAL 34 CO -0.00 0.31 -0.13 0.68 0.00 0.00 0.00 175.10 175.95 2ky9 s VAL 35 N 1.49 2.04 -0.09 2.92 -7.23 -1.07 -0.37 120.40 118.08 2ky9 s VAL 35 Ca 0.07 -2.25 -0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2ky9 s VAL 35 Cb -0.15 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2ky9 s VAL 35 CO 0.07 -0.38 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.47 2ky9 s SER 36 N -3.47 1.91 0.00 4.85 1.04 -0.22 -1.13 113.70 116.69 2ky9 s SER 36 Ca 0.29 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 2ky9 s SER 36 Cb -0.00 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.40 2ky9 s SER 36 CO 0.13 -0.11 0.25 -0.72 0.98 0.00 0.00 173.24 173.77 2ky9 s TYR 37 N 1.56 -0.08 -0.44 5.02 1.13 -0.98 -0.46 117.35 123.10 2ky9 s TYR 37 Ca 0.01 0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 55.55 2ky9 s TYR 37 Cb -0.13 0.04 0.03 0.00 -1.10 0.00 0.00 41.96 40.80 2ky9 s TYR 37 CO -0.05 -0.38 0.47 0.99 -2.51 0.00 0.00 175.55 174.06 2ky9 s THR 38 N -1.66 5.06 0.57 -3.49 2.01 -1.24 -0.54 115.64 116.34 2ky9 s THR 38 Ca -0.12 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 2ky9 s THR 38 Cb -0.05 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 2ky9 s THR 38 CO 0.02 -0.49 0.94 -2.65 -0.69 0.00 0.00 174.62 171.75 2ky9 n PRO 39 N 5.68 0.96 0.23 4.92 -0.02 -1.26 -4.37 135.00 141.13 2ky9 n PRO 39 Ca -0.07 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 2ky9 n PRO 39 Cb 0.47 -2.12 0.76 0.00 -0.02 0.00 0.00 33.50 32.59 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2ky9 h THR 40 N 0.66 0.00 0.00 3.45 1.35 -1.17 -0.59 112.91 116.60 2ky9 h THR 40 Ca -0.48 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2ky9 h THR 40 Cb 1.36 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2ky9 h THR 40 CO 0.52 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.57 2ky9 h ASN 41 N 0.00 0.00 -0.27 5.36 -0.26 -1.79 -3.48 115.58 115.14 2ky9 h ASN 41 Ca 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2ky9 h ASN 41 Cb 0.18 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2ky9 h ASN 41 CO 0.00 0.00 -0.06 0.61 -1.06 0.00 0.00 177.43 176.92 2ky9 n GLY 42 N 0.07 0.44 0.00 2.83 0.00 -0.23 -5.02 105.19 103.28 2ky9 n GLY 42 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.86 1.91 3.42 -0.02 0.00 -1.26 -5.02 105.19 102.35 2ky9 n GLY 43 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 0.01 2.19 -0.21 1.61 -2.07 -1.26 -5.06 119.66 114.86 2ky9 s GLN 44 Ca 0.00 -0.89 -0.29 0.00 -1.82 0.00 0.00 55.36 52.36 2ky9 s GLN 44 Cb 0.00 -2.19 -0.03 0.00 -1.09 0.00 0.00 33.01 29.70 2ky9 s GLN 44 CO 0.00 0.57 1.61 0.50 -1.32 0.00 0.00 175.29 176.65 2ky9 s ARG 45 N -0.99 3.83 -1.10 9.60 3.52 -1.26 -4.39 118.95 128.15 2ky9 s ARG 45 Ca 0.12 1.69 -0.19 0.00 -0.13 0.00 0.00 55.73 57.22 2ky9 s ARG 45 Cb -0.10 -4.02 0.10 0.00 -1.56 0.00 0.00 34.95 29.36 2ky9 s ARG 45 CO 0.02 -1.26 1.43 0.08 -0.81 0.00 0.00 175.30 174.77 2ky9 s VAL 46 N 5.09 4.41 0.77 7.11 1.01 0.30 -4.87 120.40 134.22 2ky9 s VAL 46 Ca 0.71 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2ky9 s VAL 46 Cb -0.25 -4.99 0.06 0.00 0.00 0.00 0.00 36.38 31.19 2ky9 s VAL 46 CO 0.29 -1.79 1.12 1.51 0.00 0.00 0.00 175.10 176.23 2ky9 s ASP 47 N 4.01 4.31 -1.50 3.32 -4.77 -1.26 -2.31 116.67 118.47 2ky9 s ASP 47 Ca 0.44 1.99 0.00 0.00 -3.30 0.00 0.00 52.55 51.68 2ky9 s ASP 47 Cb -0.01 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2ky9 s ASP 47 CO -0.03 -2.17 0.00 1.41 0.70 0.00 0.00 175.17 175.08 2ky9 n HIS 48 N -3.31 -1.10 -1.95 2.11 8.25 -0.86 -4.92 115.22 113.43 2ky9 n HIS 48 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2ky9 n HIS 48 Cb 0.52 -3.42 -0.03 0.00 1.12 0.00 0.00 29.99 28.19 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 -2.82 2.93 -0.04 4.41 2.46 -0.28 -4.82 115.29 117.13 2ky9 s HIS 49 Ca 0.00 0.58 0.03 0.00 0.47 0.00 0.00 55.06 56.14 2ky9 s HIS 49 Cb 0.00 -3.91 0.01 0.00 -0.13 0.00 0.00 32.58 28.54 2ky9 s HIS 49 CO 0.00 -3.43 -0.12 0.15 -2.47 0.00 0.00 174.74 168.87 2ky9 s LYS 50 N 1.49 1.38 0.29 2.88 1.02 -1.26 -2.61 119.74 122.93 2ky9 s LYS 50 Ca 0.70 -0.41 0.12 0.00 0.02 0.00 0.00 55.97 56.40 2ky9 s LYS 50 Cb -0.42 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2ky9 s LYS 50 CO 0.31 0.12 -0.18 -1.58 -0.92 0.00 0.00 175.35 173.10 2ky9 s TRP 51 N 0.32 2.30 0.01 3.18 0.52 -1.20 -4.75 118.94 119.32 2ky9 s TRP 51 Ca -0.07 -0.36 0.05 0.00 0.02 0.00 0.00 56.10 55.74 2ky9 s TRP 51 Cb -0.12 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.13 2ky9 s TRP 51 CO 0.02 0.69 -0.16 0.14 0.02 0.00 0.00 176.95 177.66 2ky9 s VAL 52 N -2.53 1.28 0.38 4.03 -7.23 -1.06 -4.08 120.40 111.19 2ky9 s VAL 52 Ca 0.30 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 2ky9 s VAL 52 Cb -0.04 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 2ky9 s VAL 52 CO 0.15 0.26 0.33 0.27 -0.31 0.00 0.00 175.10 175.80 2ky9 s ILE 53 N -0.53 3.04 0.14 -0.62 -4.36 -1.26 -0.19 121.20 117.42 2ky9 s ILE 53 Ca 0.05 -1.38 -0.28 0.00 -0.26 0.00 0.00 60.65 58.78 2ky9 s ILE 53 Cb -0.07 -3.08 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 2ky9 s ILE 53 CO 0.00 -0.08 1.57 -0.61 0.24 0.00 0.00 174.94 176.06 2ky9 h GLN 54 N 1.16 -0.38 -0.06 0.37 4.15 -1.84 -2.43 115.11 116.09 2ky9 h GLN 54 Ca -0.43 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2ky9 h GLN 54 Cb 1.26 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.04 2ky9 h GLN 54 CO 0.58 -0.25 0.00 0.39 -1.93 0.00 0.00 178.83 177.62 2ky9 n GLU 55 N -5.42 1.17 0.01 1.69 -0.58 -1.26 -2.13 120.64 114.12 2ky9 n GLU 55 Ca -0.02 -0.26 0.12 0.00 -0.42 0.00 0.00 57.16 56.58 2ky9 n GLU 55 Cb 0.36 -1.19 0.16 0.00 -0.57 0.00 0.00 31.44 30.20 2ky9 n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ky9 n GLU 56 N -0.42 0.09 -5.09 3.49 2.13 -0.92 -4.88 120.64 115.05 2ky9 n GLU 56 Ca 0.09 0.01 -0.32 0.00 0.66 0.00 0.00 57.16 57.60 2ky9 n GLU 56 Cb 0.09 -1.54 -0.14 0.00 0.27 0.00 0.00 31.44 30.12 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ky9 s ILE 57 N -3.05 2.59 0.18 6.31 1.01 -0.90 -3.16 121.20 124.17 2ky9 s ILE 57 Ca 0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2ky9 s ILE 57 Cb 0.16 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.59 2ky9 s ILE 57 CO 0.74 0.59 1.47 0.07 0.00 0.00 0.00 174.94 177.80 2ky9 h LYS 58 N 5.41 0.54 0.00 2.79 2.10 -1.82 -3.20 116.57 122.39 2ky9 h LYS 58 Ca -0.45 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 57.83 2ky9 h LYS 58 Cb 1.14 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2ky9 h LYS 58 CO 0.49 0.99 0.00 -3.47 -2.00 0.00 0.00 179.45 175.45 2ky9 n ASP 59 N -3.92 0.00 -0.19 7.07 2.03 -1.26 -4.20 116.55 116.07 2ky9 n ASP 59 Ca -0.04 0.38 -0.05 0.00 0.52 0.00 0.00 54.79 55.61 2ky9 n ASP 59 Cb 0.64 -0.45 -0.05 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.45 -0.29 -1.47 -1.67 0.00 -1.21 -4.84 120.51 109.58 2ky9 n ALA 60 Ca 0.06 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 2ky9 n ALA 60 Cb 0.20 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.11 1.62 3.54 0.00 0.00 -1.26 -1.27 105.19 106.70 2ky9 n GLY 61 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.59 0.00 -5.00 1.61 2.03 -1.26 -5.01 116.55 108.32 2ky9 n ASP 62 Ca -0.16 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.97 2ky9 n ASP 62 Cb 0.53 -0.90 0.01 0.00 -0.72 0.00 0.00 41.12 40.04 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 -0.28 2.93 -0.27 -0.67 0.00 -0.39 -5.09 119.74 115.96 2ky9 s LYS 63 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 55.97 54.65 2ky9 s LYS 63 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 37.83 35.04 2ky9 s LYS 63 CO 0.00 -0.16 0.58 0.99 0.00 0.00 0.00 175.35 176.76 2ky9 s THR 64 N -2.30 5.01 -0.19 3.79 2.01 -1.26 -4.85 115.64 117.84 2ky9 s THR 64 Ca 0.51 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 2ky9 s THR 64 Cb -0.10 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2ky9 s THR 64 CO 0.33 0.01 1.36 -0.76 -0.69 0.00 0.00 174.62 174.87 2ky9 s LEU 65 N 2.45 4.09 -0.03 4.42 1.43 -1.26 -5.02 118.68 124.76 2ky9 s LEU 65 Ca 0.24 1.63 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2ky9 s LEU 65 Cb -0.15 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2ky9 s LEU 65 CO 0.09 -0.92 0.14 -1.10 0.23 0.00 0.00 176.35 174.80 2ky9 s GLN 66 N 3.87 3.34 -0.02 1.70 -0.21 -1.26 -4.71 119.66 122.37 2ky9 s GLN 66 Ca 0.59 -0.33 -0.36 0.00 0.02 0.00 0.00 55.36 55.29 2ky9 s GLN 66 Cb -0.22 -3.05 -0.14 0.00 1.00 0.00 0.00 33.01 30.60 2ky9 s GLN 66 CO 0.20 0.69 1.66 -2.30 -2.12 0.00 0.00 175.29 173.42 2ky9 n PRO 67 N 1.24 1.76 0.00 2.91 -0.02 -1.26 -1.75 135.00 137.89 2ky9 n PRO 67 Ca -0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2ky9 n PRO 67 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.70 2.74 3.79 -1.23 0.00 -0.29 -5.03 105.19 108.87 2ky9 n GLY 68 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.50 6.42 -0.19 1.61 2.15 -0.71 -4.83 116.67 119.62 2ky9 s ASP 69 Ca 0.00 2.01 -0.02 0.00 0.43 0.00 0.00 52.55 54.96 2ky9 s ASP 69 Cb 0.00 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2ky9 s ASP 69 CO 0.00 -0.73 -0.08 -1.10 -0.17 0.00 0.00 175.17 173.09 2ky9 s GLN 70 N -2.97 3.36 0.48 4.34 -0.21 -1.26 -0.94 119.66 122.47 2ky9 s GLN 70 Ca 0.64 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 55.39 2ky9 s GLN 70 Cb -0.19 -2.86 -0.02 0.00 1.00 0.00 0.00 33.01 30.93 2ky9 s GLN 70 CO 0.24 -0.06 0.02 0.14 -2.12 0.00 0.00 175.29 173.50 2ky9 s VAL 71 N 1.09 1.20 -0.04 1.09 -7.23 0.04 -4.97 120.40 111.59 2ky9 s VAL 71 Ca 0.01 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2ky9 s VAL 71 Cb -0.15 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2ky9 s VAL 71 CO -0.01 0.00 -0.25 -0.63 -0.31 0.00 0.00 175.10 173.90 2ky9 s ILE 72 N -2.91 2.00 -0.23 -0.62 -1.09 -1.26 -1.16 121.20 115.92 2ky9 s ILE 72 Ca 0.12 -1.05 -0.20 0.00 -2.23 0.00 0.00 60.65 57.29 2ky9 s ILE 72 Cb 0.03 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.21 2ky9 s ILE 72 CO 0.07 0.56 0.59 -0.76 -1.23 0.00 0.00 174.94 174.16 2ky9 s LEU 73 N -0.31 4.09 0.00 2.97 1.43 -1.09 -3.16 118.68 122.61 2ky9 s LEU 73 Ca 0.01 0.69 0.27 0.00 -1.03 0.00 0.00 54.13 54.08 2ky9 s LEU 73 Cb -0.12 -2.80 0.86 0.00 0.03 0.00 0.00 46.19 44.16 2ky9 s LEU 73 CO 0.02 -0.30 1.63 -0.62 0.23 0.00 0.00 176.35 177.31 2ky9 n GLU 74 N 5.36 0.98 -4.55 1.70 -0.58 -1.19 -1.29 120.64 121.06 2ky9 n GLU 74 Ca -0.02 -0.55 -0.26 0.00 -0.42 0.00 0.00 57.16 55.91 2ky9 n GLU 74 Cb 0.49 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.77 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ky9 s ALA 75 N -2.41 2.92 -0.06 0.62 0.00 -1.22 -4.93 121.76 116.68 2ky9 s ALA 75 Ca 0.27 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 2ky9 s ALA 75 Cb 0.20 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.50 2ky9 s ALA 75 CO 0.48 -0.06 0.11 0.45 0.00 0.00 0.00 175.76 176.73 2ky9 s SER 76 N -3.62 0.44 -0.00 0.00 0.15 -1.26 -3.46 113.70 105.95 2ky9 s SER 76 Ca 0.34 0.21 0.22 0.00 0.70 0.00 0.00 55.95 57.41 2ky9 s SER 76 Cb 0.06 0.09 -0.17 0.00 -1.71 0.00 0.00 66.02 64.30 2ky9 s SER 76 CO 0.17 -0.19 0.89 1.41 1.20 0.00 0.00 173.24 176.71 2ky9 n HIS 77 N 4.76 0.02 -4.01 3.44 8.25 -1.26 -5.00 115.22 121.41 2ky9 n HIS 77 Ca -0.16 0.01 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 2ky9 n HIS 77 Cb 0.50 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.65 0.32 -2.06 -0.41 0.00 -1.26 -5.11 117.12 106.96 2ky9 n MET 78 Ca 0.03 -1.78 -0.39 0.00 0.00 0.00 0.00 57.70 55.56 2ky9 n MET 78 Cb 0.37 1.57 -0.03 0.00 0.00 0.00 0.00 33.22 35.14 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 -2.63 2.70 0.00 3.17 -0.14 -1.26 -3.59 119.74 117.99 2ky9 s LYS 79 Ca 0.20 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.45 2ky9 s LYS 79 Cb 0.00 -4.36 0.00 0.00 -1.68 0.00 0.00 37.83 31.79 2ky9 s LYS 79 CO 0.14 -2.64 0.00 0.41 -0.76 0.00 0.00 175.35 172.50 2ky9 n GLY 80 N 5.66 0.95 0.08 -3.33 0.00 -1.26 -4.52 105.19 102.78 2ky9 n GLY 80 Ca 0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.00 -6.58 1.61 -1.53 -1.86 0.48 114.93 107.04 2ky9 h MET 81 Ca 0.00 0.00 -0.53 0.00 -3.44 0.00 0.00 59.70 55.73 2ky9 h MET 81 Cb 0.73 0.00 0.04 0.00 -0.55 0.00 0.00 31.60 31.82 2ky9 h MET 81 CO 0.00 0.61 0.89 0.15 0.14 0.00 0.00 176.91 178.70 2ky9 s LYS 82 N -2.71 4.22 0.00 0.39 1.02 -1.22 -2.84 119.74 118.59 2ky9 s LYS 82 Ca -0.02 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.31 2ky9 s LYS 82 Cb 0.09 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2ky9 s LYS 82 CO 0.82 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 2ky9 n GLY 83 N 3.78 1.12 3.80 -3.33 0.00 -0.41 -4.79 105.19 105.36 2ky9 n GLY 83 Ca 0.14 0.00 -0.35 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 -2.85 3.13 -0.31 4.61 0.00 -1.13 -4.83 121.76 120.38 2ky9 s ALA 84 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 2ky9 s ALA 84 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ky9 s ALA 84 CO 0.00 0.14 0.90 0.99 0.00 0.00 0.00 175.76 177.78 2ky9 s THR 85 N -1.87 4.69 0.13 0.00 2.01 -1.26 -2.66 115.64 116.69 2ky9 s THR 85 Ca 0.56 1.41 0.05 0.00 0.31 0.00 0.00 61.69 64.01 2ky9 s THR 85 Cb -0.15 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2ky9 s THR 85 CO 0.19 -0.32 0.09 0.00 -0.69 0.00 0.00 174.62 173.89 2ky9 s ALA 86 N 3.20 3.50 -0.15 7.40 0.00 -0.31 -3.67 121.76 131.72 2ky9 s ALA 86 Ca 0.37 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2ky9 s ALA 86 Cb -0.14 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2ky9 s ALA 86 CO 0.13 0.60 -0.17 -2.00 0.00 0.00 0.00 175.76 174.33 2ky9 s GLU 87 N -2.77 2.52 -0.34 0.00 2.12 0.39 -0.78 118.70 119.85 2ky9 s GLU 87 Ca 0.29 -0.65 -0.27 0.00 0.36 0.00 0.00 54.97 54.70 2ky9 s GLU 87 Cb -0.11 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.02 2ky9 s GLU 87 CO 0.22 -0.18 2.22 0.42 -0.54 0.00 0.00 175.26 177.41 2ky9 s ILE 88 N 1.28 3.07 0.10 -3.70 -1.09 -0.11 -1.05 121.20 119.69 2ky9 s ILE 88 Ca 0.02 0.06 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 2ky9 s ILE 88 Cb -0.13 -3.12 -0.23 0.00 -1.58 0.00 0.00 42.46 37.40 2ky9 s ILE 88 CO -0.09 -0.09 1.22 -0.78 -1.23 0.00 0.00 174.94 173.97 2ky9 h ASP 89 N 16.33 0.70 -5.00 3.58 3.58 -1.03 -0.75 116.42 133.83 2ky9 h ASP 89 Ca -0.34 -0.59 -0.03 0.00 0.42 0.00 0.00 57.03 56.49 2ky9 h ASP 89 Cb 1.24 -0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 2ky9 h ASP 89 CO 1.04 1.40 0.20 -0.55 -2.88 0.00 0.00 179.24 178.45 2ky9 s SER 90 N -7.22 -0.57 -0.01 2.28 0.15 -1.03 -4.78 113.70 102.53 2ky9 s SER 90 Ca -0.07 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2ky9 s SER 90 Cb 0.07 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2ky9 s SER 90 CO 0.90 -0.92 -0.06 0.00 1.20 0.00 0.00 173.24 174.36 2ky9 s ALA 91 N -3.40 0.53 -0.11 5.45 0.00 -1.26 -1.60 121.76 121.36 2ky9 s ALA 91 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2ky9 s ALA 91 Cb -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.00 2ky9 s ALA 91 CO -0.10 0.12 0.40 -2.00 0.00 0.00 0.00 175.76 174.18 2ky9 s GLU 92 N -0.08 0.56 -0.79 0.00 2.56 -0.69 -5.03 118.70 115.23 2ky9 s GLU 92 Ca 0.01 0.37 -0.16 0.00 0.00 0.00 0.00 54.97 55.19 2ky9 s GLU 92 Cb -0.03 0.26 0.17 0.00 2.00 0.00 0.00 34.13 36.53 2ky9 s GLU 92 CO -0.00 -0.10 0.82 0.15 -0.56 0.00 0.00 175.26 175.56 2ky9 s LYS 93 N -0.24 3.46 0.04 4.30 3.01 -1.26 -0.90 119.74 128.16 2ky9 s LYS 93 Ca -0.04 -2.06 0.01 0.00 -1.01 0.00 0.00 55.97 52.87 2ky9 s LYS 93 Cb -0.03 -4.50 -0.03 0.00 -1.01 0.00 0.00 37.83 32.26 2ky9 s LYS 93 CO 0.02 -1.44 -0.05 -0.08 0.51 0.00 0.00 175.35 174.31 2ky9 s THR 94 N 1.26 0.35 -0.13 2.17 -1.32 -1.15 -4.98 115.64 111.85 2ky9 s THR 94 Ca 0.19 -1.27 -0.29 0.00 -1.21 0.00 0.00 61.69 59.11 2ky9 s THR 94 Cb -0.13 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2ky9 s THR 94 CO -0.06 -0.60 1.12 -0.89 -2.21 0.00 0.00 174.62 171.99 2ky9 s THR 95 N -2.17 4.50 -0.12 5.08 2.01 -1.26 -3.96 115.64 119.72 2ky9 s THR 95 Ca -0.06 1.80 -0.02 0.00 0.31 0.00 0.00 61.69 63.72 2ky9 s THR 95 Cb -0.05 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2ky9 s THR 95 CO -0.03 -0.07 -0.04 0.68 -0.69 0.00 0.00 174.62 174.47 2ky9 s VAL 96 N 2.66 3.87 0.00 3.82 -7.23 -0.17 -1.81 120.40 121.54 2ky9 s VAL 96 Ca 0.51 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 60.32 2ky9 s VAL 96 Cb -0.20 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2ky9 s VAL 96 CO 0.16 0.54 -0.07 -0.31 -0.31 0.00 0.00 175.10 175.11 2ky9 s TYR 97 N -0.15 2.88 -0.41 2.82 2.02 -0.01 -1.27 117.35 123.24 2ky9 s TYR 97 Ca 0.03 -0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.49 2ky9 s TYR 97 Cb -0.13 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2ky9 s TYR 97 CO 0.03 0.37 0.56 1.41 -1.57 0.00 0.00 175.55 176.34 2ky9 s MET 98 N -1.40 3.31 0.07 -0.62 -2.45 -0.58 -3.72 119.30 113.90 2ky9 s MET 98 Ca 0.17 -0.43 0.08 0.00 -1.25 0.00 0.00 55.69 54.26 2ky9 s MET 98 Cb -0.11 -3.92 -0.03 0.00 1.25 0.00 0.00 34.83 32.02 2ky9 s MET 98 CO 0.07 -0.88 -0.21 0.14 1.05 0.00 0.00 175.02 175.19 2ky9 s VAL 99 N 2.53 1.72 -0.25 10.11 -7.23 -0.69 -1.16 120.40 125.44 2ky9 s VAL 99 Ca 0.19 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ky9 s VAL 99 Cb -0.15 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.28 2ky9 s VAL 99 CO 0.16 0.12 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.24 2ky9 s ASP 100 N -1.46 4.54 0.37 4.85 1.11 -0.40 -0.38 116.67 125.30 2ky9 s ASP 100 Ca 0.08 -0.72 0.04 0.00 0.18 0.00 0.00 52.55 52.12 2ky9 s ASP 100 Cb -0.09 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.12 2ky9 s ASP 100 CO 0.03 -0.12 0.12 -0.72 1.18 0.00 0.00 175.17 175.66 2ky9 s TYR 101 N 1.41 1.78 -0.19 4.23 -0.85 -0.45 -0.34 117.35 122.93 2ky9 s TYR 101 Ca 0.02 -1.24 -0.00 0.00 -0.52 0.00 0.00 57.07 55.33 2ky9 s TYR 101 Cb -0.16 -1.11 0.01 0.00 0.38 0.00 0.00 41.96 41.08 2ky9 s TYR 101 CO -0.02 -0.29 -0.15 0.99 -1.52 0.00 0.00 175.55 174.56 2ky9 s THR 102 N -3.32 2.46 0.13 -3.49 2.01 -1.26 -0.22 115.64 111.94 2ky9 s THR 102 Ca 0.29 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.17 2ky9 s THR 102 Cb 0.04 -2.06 -0.10 0.00 0.01 0.00 0.00 72.50 70.39 2ky9 s THR 102 CO 0.15 0.50 1.79 -0.94 -0.69 0.00 0.00 174.62 175.44 2ky9 s SER 103 N 1.35 6.44 -0.01 3.53 1.04 -0.41 -4.53 113.70 121.10 2ky9 s SER 103 Ca 0.05 2.75 -0.24 0.00 0.48 0.00 0.00 55.95 58.99 2ky9 s SER 103 Cb -0.13 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 63.23 2ky9 s SER 103 CO -0.10 -0.98 1.25 0.71 0.98 0.00 0.00 173.24 175.10 2ky9 h THR 104 N 4.54 1.40 -0.01 2.02 1.35 -1.63 0.12 112.91 120.70 2ky9 h THR 104 Ca -0.45 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2ky9 h THR 104 Cb 1.21 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2ky9 h THR 104 CO 0.95 0.36 -0.13 1.07 -0.25 0.00 0.00 175.52 177.52 2ky9 n THR 105 N -4.71 0.00 -0.01 6.82 5.66 -1.26 -4.38 114.28 116.40 2ky9 n THR 105 Ca -0.08 -0.09 -0.01 0.00 -3.05 0.00 0.00 64.05 60.82 2ky9 n THR 105 Cb 0.32 0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2ky9 n THR 105 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2ky9 n SER 106 N -0.80 0.41 0.00 1.09 7.64 -1.24 -5.04 113.62 115.68 2ky9 n SER 106 Ca 0.15 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ky9 n SER 106 Cb 0.29 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ky9 n GLY 107 N 2.97 0.26 3.72 0.23 0.00 0.03 -5.05 105.19 107.34 2ky9 n GLY 107 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.92 4.48 -0.71 1.61 2.12 -1.26 -4.73 118.70 119.28 2ky9 s GLU 108 Ca 0.00 1.69 -0.26 0.00 0.36 0.00 0.00 54.97 56.76 2ky9 s GLU 108 Cb 0.00 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 31.06 2ky9 s GLU 108 CO 0.00 -0.18 1.22 0.15 -0.54 0.00 0.00 175.26 175.91 2ky9 s LYS 109 N 0.89 3.21 -0.48 4.30 3.01 -1.26 -1.29 119.74 128.12 2ky9 s LYS 109 Ca 0.56 -0.29 -0.23 0.00 -1.01 0.00 0.00 55.97 55.00 2ky9 s LYS 109 Cb -0.28 -4.17 0.03 0.00 -1.01 0.00 0.00 37.83 32.40 2ky9 s LYS 109 CO 0.30 -2.05 0.83 0.08 0.51 0.00 0.00 175.35 175.01 2ky9 s VAL 110 N 5.40 4.58 -0.11 3.17 1.01 0.69 -4.97 120.40 130.17 2ky9 s VAL 110 Ca 0.34 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 2ky9 s VAL 110 Cb -0.09 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2ky9 s VAL 110 CO 0.15 -0.83 0.09 -1.59 0.00 0.00 0.00 175.10 172.91 2ky9 s LYS 111 N 3.45 3.26 -1.42 2.72 0.00 -1.26 -1.35 119.74 125.15 2ky9 s LYS 111 Ca 0.30 -0.24 -0.11 0.00 0.00 0.00 0.00 55.97 55.92 2ky9 s LYS 111 Cb -0.12 -3.03 0.07 0.00 0.00 0.00 0.00 37.83 34.75 2ky9 s LYS 111 CO 0.21 0.75 0.66 0.09 0.00 0.00 0.00 175.35 177.06 2ky9 n ASN 112 N 2.05 -4.32 -4.73 0.03 5.03 -1.17 -4.92 115.26 107.23 2ky9 n ASN 112 Ca -0.19 -0.53 -0.42 0.00 0.87 0.00 0.00 54.58 54.31 2ky9 n ASN 112 Cb 0.54 -3.52 -0.03 0.00 -1.02 0.00 0.00 39.78 35.76 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 -3.09 3.03 -0.11 3.10 2.46 0.49 -4.62 115.29 116.56 2ky9 s HIS 113 Ca 0.49 0.83 -0.27 0.00 0.47 0.00 0.00 55.06 56.57 2ky9 s HIS 113 Cb -0.25 -3.88 0.06 0.00 -0.13 0.00 0.00 32.58 28.39 2ky9 s HIS 113 CO 0.60 -3.05 0.63 -1.59 -2.47 0.00 0.00 174.74 168.86 2ky9 s LYS 114 N 0.37 0.93 -0.11 2.88 -2.85 -1.26 -1.70 119.74 118.00 2ky9 s LYS 114 Ca 0.65 0.41 -0.03 0.00 -1.00 0.00 0.00 55.97 56.00 2ky9 s LYS 114 Cb -0.43 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 2ky9 s LYS 114 CO 0.37 -0.24 0.00 -1.58 0.10 0.00 0.00 175.35 174.01 2ky9 s TRP 115 N -0.74 3.15 0.00 1.78 0.52 -1.26 -4.86 118.94 117.54 2ky9 s TRP 115 Ca -0.08 0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.20 2ky9 s TRP 115 Cb -0.02 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 2ky9 s TRP 115 CO 0.07 0.33 -0.23 0.14 0.02 0.00 0.00 176.95 177.27 2ky9 s VAL 116 N -0.46 1.86 0.64 4.03 -7.23 -1.24 -3.23 120.40 114.76 2ky9 s VAL 116 Ca 0.08 -1.10 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2ky9 s VAL 116 Cb -0.12 -1.56 0.10 0.00 0.56 0.00 0.00 36.38 35.36 2ky9 s VAL 116 CO 0.02 0.44 0.88 0.42 -0.31 0.00 0.00 175.10 176.55 2ky9 s THR 117 N -0.63 2.16 0.08 5.32 -4.23 -1.26 -0.83 115.64 116.26 2ky9 s THR 117 Ca 0.09 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 59.51 2ky9 s THR 117 Cb -0.09 -2.34 -0.16 0.00 1.34 0.00 0.00 72.50 71.25 2ky9 s THR 117 CO 0.00 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 175.69 2ky9 h GLU 118 N -0.13 -0.38 0.00 3.99 4.81 -1.73 -2.80 114.58 118.34 2ky9 h GLU 118 Ca -0.33 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2ky9 h GLU 118 Cb 1.28 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 2ky9 h GLU 118 CO 0.40 -0.25 -0.03 0.22 -0.73 0.00 0.00 179.01 178.63 2ky9 h ASP 119 N -0.39 0.00 -0.11 1.04 3.58 -1.96 -2.19 116.42 116.38 2ky9 h ASP 119 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2ky9 h ASP 119 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2ky9 h ASP 119 CO 0.05 0.03 0.00 -0.62 -2.88 0.00 0.00 179.24 175.81 2ky9 n GLU 120 N -3.22 1.62 -4.53 0.28 1.02 -1.06 -4.76 120.64 109.98 2ky9 n GLU 120 Ca -0.02 -0.92 -0.25 0.00 -0.02 0.00 0.00 57.16 55.95 2ky9 n GLU 120 Cb 0.19 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.69 2.67 -0.16 -4.62 1.43 -0.83 -1.24 118.68 114.23 2ky9 s LEU 121 Ca 0.34 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 2ky9 s LEU 121 Cb 0.18 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.62 2ky9 s LEU 121 CO 0.28 -0.33 0.40 -0.55 0.23 0.00 0.00 176.35 176.38 2ky9 s SER 122 N -3.59 -0.49 0.38 2.29 0.15 -0.04 -4.63 113.70 107.77 2ky9 s SER 122 Ca 0.33 0.86 -0.26 0.00 0.70 0.00 0.00 55.95 57.58 2ky9 s SER 122 Cb 0.05 0.75 -0.09 0.00 -1.71 0.00 0.00 66.02 65.02 2ky9 s SER 122 CO 0.16 -0.19 1.15 0.00 1.20 0.00 0.00 173.24 175.56 2ky9 s ALA 123 N 1.30 3.19 -0.38 5.45 0.00 -1.26 -0.83 121.76 129.22 2ky9 s ALA 123 Ca -0.09 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 2ky9 s ALA 123 Cb -0.08 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2ky9 s ALA 123 CO -0.11 -0.46 0.97 0.21 0.00 0.00 0.00 175.76 176.37 2ky9 s LYS 124 N -2.21 3.83 0.25 0.00 2.47 -1.26 -4.84 119.74 117.97 2ky9 s LYS 124 Ca 0.55 0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 55.27 2ky9 s LYS 124 Cb -0.30 -3.82 -0.09 0.00 -1.46 0.00 0.00 37.83 32.16 2ky9 s LYS 124 CO 0.38 -1.02 1.05 -0.51 0.16 0.00 0.00 175.35 175.41 2ky9 s LEU 125 N 3.65 4.57 -0.21 5.43 1.02 -1.26 -4.98 118.68 126.91 2ky9 s LEU 125 Ca 0.40 2.14 0.12 0.00 0.02 0.00 0.00 54.13 56.82 2ky9 s LEU 125 Cb -0.11 -3.62 0.72 0.00 0.02 0.00 0.00 46.19 43.20 2ky9 s LEU 125 CO 0.21 -0.06 1.60 -1.84 0.02 0.00 0.00 176.35 176.28 2ky9 n GLU 126 N 1.44 4.42 -1.79 1.70 0.00 -1.26 -5.02 120.64 120.13 2ky9 n GLU 126 Ca -0.01 -2.78 -0.40 0.00 0.00 0.00 0.00 57.16 53.98 2ky9 n GLU 126 Cb 0.46 -2.17 0.02 0.00 0.00 0.00 0.00 31.44 29.74 2ky9 n GLU 126 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2ky9 s HIS 127 N -2.53 2.45 0.07 -1.84 3.76 -1.26 -4.95 115.29 110.99 2ky9 s HIS 127 Ca 0.48 1.25 -0.31 0.00 -0.15 0.00 0.00 55.06 56.34 2ky9 s HIS 127 Cb 0.37 -3.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.06 2ky9 s HIS 127 CO 0.14 -2.97 1.19 -1.01 -0.85 0.00 0.00 174.74 171.24 2ky9 s HIS 128 N -1.20 3.44 -0.94 1.40 3.76 -1.26 -5.00 115.29 115.50 2ky9 s HIS 128 Ca 0.61 1.32 -0.02 0.00 -0.15 0.00 0.00 55.06 56.82 2ky9 s HIS 128 Cb -0.44 -3.41 0.27 0.00 1.11 0.00 0.00 32.58 30.10 2ky9 s HIS 128 CO 0.57 -1.24 1.08 -2.39 -0.85 0.00 0.00 174.74 171.91 2ky9 n HIS 129 N 3.81 3.49 -3.39 1.40 1.44 -1.26 -4.87 115.22 115.83 2ky9 n HIS 129 Ca 0.08 -3.53 -0.26 0.00 -2.01 0.00 0.00 57.72 52.00 2ky9 n HIS 129 Cb 0.46 -1.12 -0.09 0.00 0.12 0.00 0.00 29.99 29.36 2ky9 n HIS 129 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ky9 n HIS 130 N 1.65 0.03 -4.24 -1.40 8.25 -1.26 -5.14 115.22 113.11 2ky9 n HIS 130 Ca 0.25 -3.55 -0.16 0.00 -0.26 0.00 0.00 57.72 54.00 2ky9 n HIS 130 Cb 0.37 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 2ky9 n HIS 130 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ky9 s HIS 131 N -0.66 1.32 -2.00 4.41 3.76 -1.26 -5.34 115.29 115.51 2ky9 s HIS 131 Ca 0.33 -0.66 0.21 0.00 -0.15 0.00 0.00 55.06 54.79 2ky9 s HIS 131 Cb 0.08 -0.67 1.28 0.00 1.11 0.00 0.00 32.58 34.37 2ky9 s HIS 131 CO -0.16 0.12 1.66 -2.39 -0.85 0.00 0.00 174.74 173.12