#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 3.36 -0.02 0.03 1.02 -1.26 -4.98 119.74 117.90 2ky9 s LYS 2 Ca 0.00 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 2ky9 s LYS 2 Cb 0.00 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 2ky9 s LYS 2 CO 0.00 0.53 1.55 0.08 -0.92 0.00 0.00 175.35 176.58 2ky9 s VAL 3 N -1.71 3.55 0.00 3.17 1.01 -1.26 -2.18 120.40 122.98 2ky9 s VAL 3 Ca 0.34 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2ky9 s VAL 3 Cb -0.11 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ky9 s VAL 3 CO 0.28 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2ky9 n GLY 4 N 3.91 0.48 3.83 4.51 0.00 0.01 -5.03 105.19 112.89 2ky9 n GLY 4 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.03 6.83 -0.04 1.61 0.01 -0.93 -4.84 113.70 114.32 2ky9 s SER 5 Ca 0.00 1.59 -0.16 0.00 1.31 0.00 0.00 55.95 58.70 2ky9 s SER 5 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2ky9 s SER 5 CO 0.00 -0.40 0.42 -1.10 0.41 0.00 0.00 173.24 172.57 2ky9 s GLN 6 N -3.39 4.05 0.03 12.44 -1.52 -1.26 -1.39 119.66 128.62 2ky9 s GLN 6 Ca 0.60 0.41 -0.02 0.00 -1.95 0.00 0.00 55.36 54.40 2ky9 s GLN 6 Cb -0.09 -3.29 -0.02 0.00 -0.22 0.00 0.00 33.01 29.39 2ky9 s GLN 6 CO 0.18 0.53 0.00 0.14 -0.25 0.00 0.00 175.29 175.90 2ky9 s VAL 7 N -0.57 0.14 -0.24 1.09 -7.23 -0.58 -2.76 120.40 110.24 2ky9 s VAL 7 Ca 0.24 -1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 2ky9 s VAL 7 Cb -0.16 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 2ky9 s VAL 7 CO 0.12 -0.64 0.09 -0.63 -0.31 0.00 0.00 175.10 173.72 2ky9 s ILE 8 N -2.32 4.52 -0.23 -0.62 -1.09 0.28 -0.39 121.20 121.35 2ky9 s ILE 8 Ca -0.08 -0.11 -0.27 0.00 -2.23 0.00 0.00 60.65 57.96 2ky9 s ILE 8 Cb -0.03 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2ky9 s ILE 8 CO -0.04 0.34 0.95 -0.63 -1.23 0.00 0.00 174.94 174.34 2ky9 s ILE 9 N 1.45 4.75 -0.20 2.92 1.01 -0.54 -0.85 121.20 129.73 2ky9 s ILE 9 Ca 0.06 1.84 -0.16 0.00 0.00 0.00 0.00 60.65 62.39 2ky9 s ILE 9 Cb -0.15 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 2ky9 s ILE 9 CO 0.04 -0.12 -0.25 -0.46 0.00 0.00 0.00 174.94 174.15 2ky9 n ASN 10 N 6.10 1.91 -4.85 3.58 6.94 -0.83 -1.35 115.26 126.75 2ky9 n ASN 10 Ca 0.09 0.40 -0.38 0.00 -0.02 0.00 0.00 54.58 54.68 2ky9 n ASN 10 Cb 0.47 -0.82 -0.06 0.00 -2.36 0.00 0.00 39.78 37.01 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2ky9 s THR 11 N -2.61 5.17 -0.18 5.53 2.01 -1.06 -4.66 115.64 119.84 2ky9 s THR 11 Ca -0.29 0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 2ky9 s THR 11 Cb 0.07 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 69.01 2ky9 s THR 11 CO 0.42 0.59 0.52 -0.94 -0.69 0.00 0.00 174.62 174.53 2ky9 s SER 12 N -1.07 -0.54 0.02 3.53 1.04 -1.26 -4.70 113.70 110.73 2ky9 s SER 12 Ca 0.21 0.98 -0.19 0.00 0.48 0.00 0.00 55.95 57.44 2ky9 s SER 12 Cb -0.15 1.00 -0.22 0.00 0.10 0.00 0.00 66.02 66.75 2ky9 s SER 12 CO 0.11 -0.23 1.14 0.45 0.98 0.00 0.00 173.24 175.69 2ky9 h HIS 13 N 5.07 0.68 -2.85 5.02 3.86 -1.94 -3.44 115.15 121.53 2ky9 h HIS 13 Ca -0.28 -0.35 -0.63 0.00 -1.16 0.00 0.00 60.37 57.95 2ky9 h HIS 13 Cb 1.17 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 29.50 2ky9 h HIS 13 CO 0.40 1.16 -0.33 -1.64 0.86 0.00 0.00 177.93 178.38 2ky9 s MET 14 N -3.35 3.69 0.37 2.45 -1.94 -1.26 -5.02 119.30 114.25 2ky9 s MET 14 Ca -0.13 0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.05 2ky9 s MET 14 Cb 0.04 -3.19 0.70 0.00 2.01 0.00 0.00 34.83 34.39 2ky9 s MET 14 CO 0.83 0.72 1.99 -0.22 -0.01 0.00 0.00 175.02 178.34 2ky9 h LYS 15 N 4.75 0.67 0.00 2.03 3.64 -1.98 -2.44 116.57 123.23 2ky9 h LYS 15 Ca -0.53 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2ky9 h LYS 15 Cb 1.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2ky9 h LYS 15 CO 0.60 0.49 0.00 0.41 -2.27 0.00 0.00 179.45 178.69 2ky9 n GLY 16 N -1.31 -0.55 0.06 5.01 0.00 -1.26 -2.32 105.19 104.81 2ky9 n GLY 16 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ky9 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ky9 n MET 17 N -1.23 0.67 -2.06 1.61 2.81 -0.92 -1.43 117.12 116.57 2ky9 n MET 17 Ca 0.05 -0.08 -0.43 0.00 -1.81 0.00 0.00 57.70 55.43 2ky9 n MET 17 Cb 0.07 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2ky9 s LYS 18 N -2.97 3.94 0.00 0.03 2.20 -0.98 -1.43 119.74 120.53 2ky9 s LYS 18 Ca -0.09 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 2ky9 s LYS 18 Cb 0.10 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2ky9 s LYS 18 CO 0.86 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 2ky9 n GLY 19 N 4.46 0.84 3.83 5.54 0.00 -0.46 -4.95 105.19 114.45 2ky9 n GLY 19 Ca 0.18 0.00 -0.34 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 -3.30 3.27 -0.52 4.61 0.00 -0.51 -4.86 121.76 120.44 2ky9 s ALA 20 Ca 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 2ky9 s ALA 20 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.28 2ky9 s ALA 20 CO 0.00 0.27 0.61 -2.00 0.00 0.00 0.00 175.76 174.64 2ky9 s GLU 21 N -2.72 3.09 0.44 0.00 2.12 -1.26 -1.47 118.70 118.89 2ky9 s GLU 21 Ca 0.53 -1.05 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 2ky9 s GLU 21 Cb -0.12 -4.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.10 2ky9 s GLU 21 CO 0.18 -1.26 0.69 0.00 -0.54 0.00 0.00 175.26 174.33 2ky9 s ALA 22 N 2.49 3.55 -0.14 6.30 0.00 0.48 -4.38 121.76 130.06 2ky9 s ALA 22 Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2ky9 s ALA 22 Cb -0.21 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2ky9 s ALA 22 CO 0.10 -0.28 -0.15 0.99 0.00 0.00 0.00 175.76 176.42 2ky9 s THR 23 N -2.59 1.62 -0.62 0.00 2.01 0.13 -1.52 115.64 114.67 2ky9 s THR 23 Ca 0.45 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 2ky9 s THR 23 Cb -0.10 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 2ky9 s THR 23 CO 0.41 0.47 1.78 -0.69 -0.69 0.00 0.00 174.62 175.90 2ky9 s VAL 24 N 1.30 3.41 -1.30 3.82 1.01 -0.48 -1.14 120.40 127.01 2ky9 s VAL 24 Ca 0.01 0.24 0.25 0.00 0.00 0.00 0.00 61.98 62.48 2ky9 s VAL 24 Cb -0.14 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.25 2ky9 s VAL 24 CO -0.08 -1.01 1.38 0.35 0.00 0.00 0.00 175.10 175.74 2ky9 n THR 25 N 7.11 0.00 -3.56 3.92 -2.24 0.47 -0.81 114.28 119.18 2ky9 n THR 25 Ca 0.18 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.76 2ky9 n THR 25 Cb 0.51 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.81 -0.42 -0.15 3.38 0.00 -0.47 -4.94 107.32 101.91 2ky9 s GLY 26 Ca 0.15 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.59 2ky9 s GLY 26 CO 0.66 1.08 -0.01 0.00 0.00 0.00 0.00 173.10 174.83 2ky9 s ALA 27 N -1.00 1.10 -0.12 3.20 0.00 -1.26 -1.45 121.76 122.23 2ky9 s ALA 27 Ca -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2ky9 s ALA 27 Cb -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2ky9 s ALA 27 CO 0.05 -0.84 -0.17 0.71 0.00 0.00 0.00 175.76 175.51 2ky9 s TYR 28 N 1.80 2.72 -1.00 0.00 1.51 -0.08 -5.01 117.35 117.29 2ky9 s TYR 28 Ca 0.01 -0.75 -0.07 0.00 -1.01 0.00 0.00 57.07 55.25 2ky9 s TYR 28 Cb -0.15 -1.79 0.25 0.00 -0.11 0.00 0.00 41.96 40.16 2ky9 s TYR 28 CO -0.07 -0.26 0.95 0.16 -1.11 0.00 0.00 175.55 175.22 2ky9 s ASP 29 N 0.29 6.77 0.21 2.29 -4.77 -1.26 -1.50 116.67 118.70 2ky9 s ASP 29 Ca -0.12 -3.52 0.02 0.00 -3.30 0.00 0.00 52.55 45.63 2ky9 s ASP 29 Cb -0.16 -2.10 -0.05 0.00 -1.09 0.00 0.00 42.92 39.52 2ky9 s ASP 29 CO 0.06 -0.29 0.03 0.28 0.70 0.00 0.00 175.17 175.96 2ky9 s THR 30 N -1.11 0.73 -0.14 2.11 -1.32 -1.26 -5.08 115.64 109.56 2ky9 s THR 30 Ca 0.28 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.47 2ky9 s THR 30 Cb -0.10 -2.31 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 2ky9 s THR 30 CO -0.09 -0.31 1.17 -0.89 -2.21 0.00 0.00 174.62 172.28 2ky9 s THR 31 N -3.63 4.41 0.12 5.08 2.01 -1.26 -4.33 115.64 118.04 2ky9 s THR 31 Ca 0.29 1.71 0.05 0.00 0.31 0.00 0.00 61.69 64.05 2ky9 s THR 31 Cb 0.06 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2ky9 s THR 31 CO 0.08 -0.10 0.02 0.00 -0.69 0.00 0.00 174.62 173.92 2ky9 s ALA 32 N 2.95 3.30 0.04 7.40 0.00 -0.66 -2.79 121.76 132.00 2ky9 s ALA 32 Ca 0.52 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2ky9 s ALA 32 Cb -0.21 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 2ky9 s ALA 32 CO 0.15 0.63 -0.07 0.71 0.00 0.00 0.00 175.76 177.18 2ky9 s TYR 33 N -1.46 0.61 -0.34 0.00 2.02 0.60 -1.22 117.35 117.55 2ky9 s TYR 33 Ca 0.27 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.41 2ky9 s TYR 33 Cb -0.11 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2ky9 s TYR 33 CO 0.19 -0.09 0.15 0.08 -1.57 0.00 0.00 175.55 174.31 2ky9 s VAL 34 N -1.28 4.25 0.12 0.71 1.01 -0.95 -2.71 120.40 121.55 2ky9 s VAL 34 Ca -0.10 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.14 2ky9 s VAL 34 Cb -0.09 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2ky9 s VAL 34 CO 0.00 -0.13 -0.27 0.68 0.00 0.00 0.00 175.10 175.38 2ky9 s VAL 35 N 1.51 2.26 -0.10 2.92 -7.23 -0.14 -0.46 120.40 119.17 2ky9 s VAL 35 Ca 0.01 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2ky9 s VAL 35 Cb -0.19 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2ky9 s VAL 35 CO 0.05 0.12 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.21 2ky9 s SER 36 N -1.99 3.49 0.06 4.85 0.15 -0.62 -0.30 113.70 119.35 2ky9 s SER 36 Ca 0.14 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.21 2ky9 s SER 36 Cb -0.10 -1.29 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2ky9 s SER 36 CO 0.06 0.20 0.32 -0.72 1.20 0.00 0.00 173.24 174.30 2ky9 s TYR 37 N 0.12 -0.12 -0.32 3.44 1.13 -0.67 -1.12 117.35 119.81 2ky9 s TYR 37 Ca -0.10 -0.06 -0.06 0.00 -1.41 0.00 0.00 57.07 55.44 2ky9 s TYR 37 Cb -0.16 0.12 0.03 0.00 -1.10 0.00 0.00 41.96 40.86 2ky9 s TYR 37 CO 0.06 -0.55 0.09 0.99 -2.51 0.00 0.00 175.55 173.63 2ky9 s THR 38 N -2.85 3.82 -0.25 -3.49 2.01 -1.25 -0.64 115.64 112.99 2ky9 s THR 38 Ca -0.03 -0.99 -0.37 0.00 0.31 0.00 0.00 61.69 60.61 2ky9 s THR 38 Cb 0.00 -3.09 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 2ky9 s THR 38 CO -0.05 -0.09 1.91 -2.65 -0.69 0.00 0.00 174.62 173.05 2ky9 n PRO 39 N 4.83 1.42 0.29 4.92 -0.02 -1.26 -4.51 135.00 140.67 2ky9 n PRO 39 Ca -0.13 0.49 0.17 0.00 -2.02 0.00 0.00 63.50 62.01 2ky9 n PRO 39 Cb 0.46 -2.35 0.95 0.00 -0.02 0.00 0.00 33.50 32.54 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 5.83 0.43 0.00 3.45 1.35 -1.90 -1.83 112.91 120.24 2ky9 h THR 40 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2ky9 h THR 40 Cb 1.31 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2ky9 h THR 40 CO 0.98 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.84 2ky9 n ASN 41 N -3.71 0.45 -0.52 5.36 4.13 -1.26 -4.84 115.26 114.88 2ky9 n ASN 41 Ca -0.02 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.30 2ky9 n ASN 41 Cb 0.11 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ky9 n GLY 42 N 0.26 0.78 3.80 7.41 0.00 -0.74 -5.09 105.19 111.61 2ky9 n GLY 42 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.66 1.73 0.24 -0.02 0.00 -0.92 -5.06 107.32 100.63 2ky9 s GLY 43 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 2ky9 s GLY 43 CO 0.00 -1.61 1.41 1.62 0.00 0.00 0.00 173.10 174.52 2ky9 s GLN 44 N -3.90 4.30 -0.08 2.90 0.74 -1.26 -4.11 119.66 118.24 2ky9 s GLN 44 Ca 0.38 2.25 -0.31 0.00 0.05 0.00 0.00 55.36 57.73 2ky9 s GLN 44 Cb -0.05 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 30.84 2ky9 s GLN 44 CO 0.25 -0.38 2.03 -2.13 -0.55 0.00 0.00 175.29 174.52 2ky9 n ARG 45 N 2.32 2.36 -2.77 1.67 0.63 -1.26 -4.51 116.66 115.10 2ky9 n ARG 45 Ca 0.06 0.81 -0.43 0.00 -0.92 0.00 0.00 57.85 57.38 2ky9 n ARG 45 Cb 0.41 -2.95 -0.04 0.00 0.45 0.00 0.00 32.46 30.33 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 5.56 4.27 -0.15 5.15 1.01 0.19 -4.95 120.40 131.47 2ky9 s VAL 46 Ca 0.94 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 2ky9 s VAL 46 Cb -0.50 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.22 2ky9 s VAL 46 CO 0.43 -1.24 0.16 -0.62 0.00 0.00 0.00 175.10 173.83 2ky9 s ASP 47 N 3.00 6.34 -1.44 3.32 2.15 -1.26 -1.67 116.67 127.11 2ky9 s ASP 47 Ca 0.32 0.41 -0.10 0.00 0.43 0.00 0.00 52.55 53.61 2ky9 s ASP 47 Cb -0.12 -2.09 0.04 0.00 -0.30 0.00 0.00 42.92 40.45 2ky9 s ASP 47 CO 0.19 0.30 1.01 1.41 -0.17 0.00 0.00 175.17 177.91 2ky9 n HIS 48 N 2.67 -2.53 -2.06 -5.34 8.25 -1.23 -4.96 115.22 110.02 2ky9 n HIS 48 Ca -0.18 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.76 2ky9 n HIS 48 Cb 0.54 -4.55 -0.02 0.00 1.12 0.00 0.00 29.99 27.07 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 -3.27 3.06 0.03 4.41 5.04 0.59 -4.75 115.29 120.40 2ky9 s HIS 49 Ca 0.56 1.09 -0.15 0.00 -1.54 0.00 0.00 55.06 55.02 2ky9 s HIS 49 Cb -0.26 -3.77 0.03 0.00 0.04 0.00 0.00 32.58 28.61 2ky9 s HIS 49 CO 0.70 -2.46 0.34 -1.59 -2.34 0.00 0.00 174.74 169.39 2ky9 s LYS 50 N -0.44 0.81 -0.09 2.88 -2.85 -1.26 -0.96 119.74 117.83 2ky9 s LYS 50 Ca 0.58 -0.38 -0.02 0.00 -1.00 0.00 0.00 55.97 55.14 2ky9 s LYS 50 Cb -0.41 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.68 2ky9 s LYS 50 CO 0.43 -0.26 0.01 -1.58 0.10 0.00 0.00 175.35 174.06 2ky9 s TRP 51 N -2.22 3.19 -0.04 1.78 0.52 -1.26 -4.86 118.94 116.05 2ky9 s TRP 51 Ca -0.07 0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.32 2ky9 s TRP 51 Cb -0.02 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 2ky9 s TRP 51 CO -0.01 0.47 -0.25 0.14 0.02 0.00 0.00 176.95 177.32 2ky9 s VAL 52 N -0.85 2.00 0.47 4.03 -7.23 -1.10 -4.47 120.40 113.25 2ky9 s VAL 52 Ca 0.13 -1.06 0.06 0.00 -1.81 0.00 0.00 61.98 59.30 2ky9 s VAL 52 Cb -0.11 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2ky9 s VAL 52 CO 0.02 0.56 0.22 0.27 -0.31 0.00 0.00 175.10 175.86 2ky9 s ILE 53 N -0.35 1.90 0.21 -0.62 -4.36 -1.26 -0.29 121.20 116.42 2ky9 s ILE 53 Ca 0.02 -1.69 -0.13 0.00 -0.26 0.00 0.00 60.65 58.60 2ky9 s ILE 53 Cb -0.12 -2.59 0.20 0.00 1.25 0.00 0.00 42.46 41.20 2ky9 s ILE 53 CO 0.02 0.00 1.65 1.56 0.24 0.00 0.00 174.94 178.40 2ky9 h GLN 54 N 1.21 0.05 -0.00 0.37 1.08 -1.89 -1.67 115.11 114.26 2ky9 h GLN 54 Ca -0.41 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2ky9 h GLN 54 Cb 1.28 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2ky9 h GLN 54 CO 0.67 0.03 -0.00 -0.85 -0.95 0.00 0.00 178.83 177.73 2ky9 n GLU 55 N -5.35 0.91 0.15 1.46 0.00 -1.26 -2.78 120.64 113.77 2ky9 n GLU 55 Ca 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.27 2ky9 n GLU 55 Cb 0.33 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.33 2ky9 n GLU 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ky9 h GLU 56 N 0.10 0.00 -6.04 3.44 4.57 -1.69 -3.47 114.58 111.48 2ky9 h GLU 56 Ca 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 2ky9 h GLU 56 Cb 0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 28.39 2ky9 h GLU 56 CO 0.00 0.17 -0.83 0.42 -1.18 0.00 0.00 179.01 177.58 2ky9 s ILE 57 N -3.15 2.51 -0.04 2.32 1.01 -1.12 -2.30 121.20 120.43 2ky9 s ILE 57 Ca 0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2ky9 s ILE 57 Cb 0.07 -1.96 -0.12 0.00 0.01 0.00 0.00 42.46 40.47 2ky9 s ILE 57 CO 0.74 0.57 0.76 0.50 0.00 0.00 0.00 174.94 177.51 2ky9 h LYS 58 N 5.92 -0.39 0.00 2.79 3.64 -1.78 -3.32 116.57 123.42 2ky9 h LYS 58 Ca -0.36 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2ky9 h LYS 58 Cb 1.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2ky9 h LYS 58 CO 0.49 -0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 2ky9 n ASP 59 N -5.05 0.00 0.13 4.20 9.92 -1.26 -3.16 116.55 121.33 2ky9 n ASP 59 Ca -0.07 0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 54.06 2ky9 n ASP 59 Cb 0.24 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ky9 h ALA 60 N 2.62 -0.58 -0.74 2.24 0.00 -1.86 -3.47 119.26 117.47 2ky9 h ALA 60 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 2ky9 h ALA 60 Cb 0.09 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2ky9 h ALA 60 CO 0.00 -0.88 -0.29 0.41 0.00 0.00 0.00 179.25 178.49 2ky9 n GLY 61 N -1.42 1.57 2.52 0.00 0.00 -1.19 -1.90 105.19 104.77 2ky9 n GLY 61 Ca -0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.56 -5.18 -4.96 1.61 8.00 -1.26 -5.03 116.55 109.16 2ky9 n ASP 62 Ca -0.16 0.44 -0.22 0.00 0.71 0.00 0.00 54.79 55.57 2ky9 n ASP 62 Cb 0.52 -4.27 -0.02 0.00 -0.02 0.00 0.00 41.12 37.33 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 -3.55 3.44 -0.41 -1.24 -2.85 -0.80 -5.06 119.74 109.26 2ky9 s LYS 63 Ca 0.00 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 54.04 2ky9 s LYS 63 Cb 0.00 -2.82 0.01 0.00 -2.06 0.00 0.00 37.83 32.96 2ky9 s LYS 63 CO 0.00 0.33 1.32 0.99 0.10 0.00 0.00 175.35 178.10 2ky9 s THR 64 N -2.09 4.02 -0.31 3.79 2.01 -1.26 -4.94 115.64 116.86 2ky9 s THR 64 Ca 0.36 1.06 -0.29 0.00 0.31 0.00 0.00 61.69 63.13 2ky9 s THR 64 Cb -0.09 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.11 2ky9 s THR 64 CO 0.31 -0.78 1.37 -0.76 -0.69 0.00 0.00 174.62 174.07 2ky9 s LEU 65 N 5.02 3.83 0.37 4.42 1.43 -1.26 -5.03 118.68 127.45 2ky9 s LEU 65 Ca 0.57 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 2ky9 s LEU 65 Cb -0.12 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 2ky9 s LEU 65 CO 0.31 -1.18 0.90 -1.10 0.23 0.00 0.00 176.35 175.51 2ky9 s GLN 66 N 4.39 4.31 -0.27 1.70 -1.52 -1.26 -4.70 119.66 122.31 2ky9 s GLN 66 Ca 0.60 1.10 -0.36 0.00 -1.95 0.00 0.00 55.36 54.75 2ky9 s GLN 66 Cb -0.17 -2.46 -0.12 0.00 -0.22 0.00 0.00 33.01 30.03 2ky9 s GLN 66 CO 0.26 0.12 2.02 -2.30 -0.25 0.00 0.00 175.29 175.14 2ky9 n PRO 67 N -0.12 1.36 0.00 2.91 -0.02 -1.26 -1.32 135.00 136.55 2ky9 n PRO 67 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2ky9 n PRO 67 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 5.50 1.69 3.76 -1.23 0.00 -0.27 -5.01 105.19 109.63 2ky9 n GLY 68 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.85 7.15 -0.12 1.61 2.15 -0.43 -4.80 116.67 120.38 2ky9 s ASP 69 Ca 0.00 2.16 -0.01 0.00 0.43 0.00 0.00 52.55 55.13 2ky9 s ASP 69 Cb 0.00 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2ky9 s ASP 69 CO 0.00 -0.22 -0.08 0.00 -0.17 0.00 0.00 175.17 174.70 2ky9 s GLN 70 N -1.74 3.26 0.04 4.34 -2.07 -1.26 -1.26 119.66 120.97 2ky9 s GLN 70 Ca 0.48 -0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 53.42 2ky9 s GLN 70 Cb -0.28 -2.70 -0.03 0.00 -1.09 0.00 0.00 33.01 28.90 2ky9 s GLN 70 CO 0.36 0.37 -0.03 0.14 -1.32 0.00 0.00 175.29 174.81 2ky9 s VAL 71 N -0.02 0.18 -0.13 3.63 -7.23 -0.16 -4.97 120.40 111.69 2ky9 s VAL 71 Ca -0.01 -1.48 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2ky9 s VAL 71 Cb -0.14 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2ky9 s VAL 71 CO 0.03 -0.82 0.07 -0.63 -0.31 0.00 0.00 175.10 173.45 2ky9 s ILE 72 N -3.03 4.88 -0.23 -0.62 1.09 -1.26 -0.99 121.20 121.03 2ky9 s ILE 72 Ca -0.01 -0.02 -0.22 0.00 -1.10 0.00 0.00 60.65 59.30 2ky9 s ILE 72 Cb 0.01 -3.13 -0.01 0.00 -1.06 0.00 0.00 42.46 38.27 2ky9 s ILE 72 CO -0.07 0.55 0.72 -0.76 -0.10 0.00 0.00 174.94 175.29 2ky9 s LEU 73 N -0.45 4.09 0.03 2.97 1.43 -1.22 -2.59 118.68 122.95 2ky9 s LEU 73 Ca 0.10 0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 2ky9 s LEU 73 Cb -0.12 -3.01 -0.30 0.00 0.03 0.00 0.00 46.19 42.78 2ky9 s LEU 73 CO 0.02 -0.41 0.98 -0.33 0.23 0.00 0.00 176.35 176.84 2ky9 h GLU 74 N 7.70 0.35 -7.27 1.70 4.39 -1.81 -2.18 114.58 117.46 2ky9 h GLU 74 Ca -0.26 -0.60 -0.48 0.00 0.34 0.00 0.00 59.36 58.36 2ky9 h GLU 74 Cb 1.12 0.22 0.07 0.00 -0.10 0.00 0.00 28.75 30.05 2ky9 h GLU 74 CO 0.81 1.26 0.27 0.00 -1.16 0.00 0.00 179.01 180.20 2ky9 s ALA 75 N -2.62 3.13 -0.08 3.43 0.00 -1.13 -4.88 121.76 119.60 2ky9 s ALA 75 Ca -0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 2ky9 s ALA 75 Cb 0.06 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.45 2ky9 s ALA 75 CO 0.89 -0.97 0.16 -1.54 0.00 0.00 0.00 175.76 174.30 2ky9 s SER 76 N -4.34 0.31 0.00 0.00 1.04 -1.26 -4.00 113.70 105.45 2ky9 s SER 76 Ca 0.56 0.34 0.26 0.00 0.48 0.00 0.00 55.95 57.59 2ky9 s SER 76 Cb -0.11 0.26 0.68 0.00 0.10 0.00 0.00 66.02 66.96 2ky9 s SER 76 CO 0.48 -0.20 1.52 1.41 0.98 0.00 0.00 173.24 177.43 2ky9 n HIS 77 N 4.79 0.00 -3.83 5.02 8.25 -1.26 -4.99 115.22 123.21 2ky9 n HIS 77 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.25 2ky9 n HIS 77 Cb 0.51 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.43 1.63 -0.32 -0.41 0.23 -1.26 -5.13 119.30 111.61 2ky9 s MET 78 Ca 0.25 -1.01 -0.29 0.00 -1.03 0.00 0.00 55.69 53.62 2ky9 s MET 78 Cb 0.19 0.49 0.02 0.00 -1.53 0.00 0.00 34.83 34.00 2ky9 s MET 78 CO 0.50 -0.76 1.06 0.15 -2.03 0.00 0.00 175.02 173.94 2ky9 s LYS 79 N -2.68 4.06 0.00 3.16 1.02 -1.26 -3.52 119.74 120.52 2ky9 s LYS 79 Ca 0.16 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.19 2ky9 s LYS 79 Cb -0.04 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2ky9 s LYS 79 CO 0.07 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 2ky9 n GLY 80 N 3.90 0.83 0.08 -3.33 0.00 -1.26 -5.03 105.19 100.38 2ky9 n GLY 80 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 1.90 0.00 -6.58 1.61 -1.53 -1.92 -3.26 114.93 105.14 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 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 31.60 31.09 2ky9 h MET 81 CO 0.00 0.95 0.94 0.21 0.14 0.00 0.00 176.91 179.15 2ky9 s LYS 82 N -2.23 4.19 0.00 0.39 2.20 -1.26 -2.43 119.74 120.61 2ky9 s LYS 82 Ca -0.21 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 2ky9 s LYS 82 Cb -0.01 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2ky9 s LYS 82 CO 0.63 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2ky9 n GLY 83 N 3.88 0.66 3.78 5.54 0.00 -0.82 -4.91 105.19 113.32 2ky9 n GLY 83 Ca 0.15 0.00 -0.36 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 -2.20 3.11 -0.30 4.61 0.00 -1.02 -4.86 121.76 121.10 2ky9 s ALA 84 Ca 0.00 0.64 -0.25 0.00 0.00 0.00 0.00 51.96 52.35 2ky9 s ALA 84 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2ky9 s ALA 84 CO 0.00 -0.10 0.89 0.99 0.00 0.00 0.00 175.76 177.54 2ky9 s THR 85 N -1.69 4.70 0.09 0.00 2.01 -1.26 -3.41 115.64 116.08 2ky9 s THR 85 Ca 0.56 1.42 0.06 0.00 0.31 0.00 0.00 61.69 64.04 2ky9 s THR 85 Cb -0.20 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2ky9 s THR 85 CO 0.26 -0.31 -0.05 0.00 -0.69 0.00 0.00 174.62 173.83 2ky9 s ALA 86 N 3.17 3.10 -0.06 7.40 0.00 -0.16 -3.97 121.76 131.24 2ky9 s ALA 86 Ca 0.37 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2ky9 s ALA 86 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2ky9 s ALA 86 CO 0.13 0.66 -0.17 -2.00 0.00 0.00 0.00 175.76 174.38 2ky9 s GLU 87 N -2.16 2.05 -0.33 0.00 2.12 -0.27 -0.99 118.70 119.12 2ky9 s GLU 87 Ca 0.23 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 2ky9 s GLU 87 Cb -0.11 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 2ky9 s GLU 87 CO 0.15 0.16 1.84 0.42 -0.54 0.00 0.00 175.26 177.28 2ky9 s ILE 88 N 0.32 3.43 0.07 -3.70 -1.09 -0.39 -1.58 121.20 118.26 2ky9 s ILE 88 Ca -0.11 0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 58.63 2ky9 s ILE 88 Cb -0.15 -3.60 -0.28 0.00 -1.58 0.00 0.00 42.46 36.85 2ky9 s ILE 88 CO 0.04 -0.40 1.14 0.44 -1.23 0.00 0.00 174.94 174.93 2ky9 h ASP 89 N 13.16 0.74 -4.05 3.58 3.32 -1.12 -0.69 116.42 131.36 2ky9 h ASP 89 Ca -0.34 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 55.93 2ky9 h ASP 89 Cb 1.17 -0.23 -0.22 0.00 0.22 0.00 0.00 39.33 40.27 2ky9 h ASP 89 CO 1.03 1.51 -0.08 -0.55 -1.72 0.00 0.00 179.24 179.44 2ky9 s SER 90 N -7.34 -0.54 -0.16 6.45 0.15 -1.15 -4.83 113.70 106.28 2ky9 s SER 90 Ca -0.08 1.00 -0.06 0.00 0.70 0.00 0.00 55.95 57.52 2ky9 s SER 90 Cb 0.06 1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 2ky9 s SER 90 CO 0.92 -0.23 0.03 0.00 1.20 0.00 0.00 173.24 175.16 2ky9 s ALA 91 N 0.11 3.32 -0.01 5.45 0.00 -1.26 -2.24 121.76 127.13 2ky9 s ALA 91 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2ky9 s ALA 91 Cb -0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2ky9 s ALA 91 CO 0.01 0.27 -0.10 -2.00 0.00 0.00 0.00 175.76 173.95 2ky9 s GLU 92 N 0.11 0.81 -0.53 0.00 2.56 -0.36 -5.04 118.70 116.26 2ky9 s GLU 92 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 2ky9 s GLU 92 Cb -0.13 -0.78 0.14 0.00 2.00 0.00 0.00 34.13 35.36 2ky9 s GLU 92 CO 0.01 0.19 0.36 0.15 -0.56 0.00 0.00 175.26 175.41 2ky9 s LYS 93 N -0.16 2.40 0.07 4.30 -0.14 -1.26 -1.65 119.74 123.29 2ky9 s LYS 93 Ca 0.03 -2.15 0.01 0.00 -1.36 0.00 0.00 55.97 52.49 2ky9 s LYS 93 Cb -0.05 -3.74 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 2ky9 s LYS 93 CO -0.00 -1.15 -0.05 -0.08 -0.76 0.00 0.00 175.35 173.31 2ky9 s THR 94 N 0.60 0.46 -0.26 2.17 -1.32 -1.26 -5.05 115.64 110.98 2ky9 s THR 94 Ca 0.12 -1.64 -0.24 0.00 -1.21 0.00 0.00 61.69 58.71 2ky9 s THR 94 Cb -0.22 -1.30 -0.00 0.00 -1.51 0.00 0.00 72.50 69.47 2ky9 s THR 94 CO -0.04 -0.79 0.82 -0.89 -2.21 0.00 0.00 174.62 171.51 2ky9 s THR 95 N -3.11 4.83 -0.15 5.08 2.01 -1.26 -4.29 115.64 118.75 2ky9 s THR 95 Ca 0.04 1.48 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 2ky9 s THR 95 Cb 0.02 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2ky9 s THR 95 CO -0.05 -0.11 0.01 0.68 -0.69 0.00 0.00 174.62 174.46 2ky9 s VAL 96 N 2.87 4.34 -0.05 3.82 -7.23 -0.56 -3.42 120.40 120.17 2ky9 s VAL 96 Ca 0.34 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.33 2ky9 s VAL 96 Cb -0.15 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2ky9 s VAL 96 CO 0.09 0.51 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.98 2ky9 s TYR 97 N 0.01 2.84 -0.27 2.82 2.02 0.20 -0.90 117.35 124.07 2ky9 s TYR 97 Ca 0.03 -0.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 2ky9 s TYR 97 Cb -0.13 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2ky9 s TYR 97 CO 0.02 0.28 0.44 1.41 -1.57 0.00 0.00 175.55 176.13 2ky9 s MET 98 N -0.84 4.03 0.15 -0.62 -2.45 -0.53 -2.86 119.30 116.18 2ky9 s MET 98 Ca 0.12 0.16 0.07 0.00 -1.25 0.00 0.00 55.69 54.79 2ky9 s MET 98 Cb -0.11 -3.66 -0.04 0.00 1.25 0.00 0.00 34.83 32.27 2ky9 s MET 98 CO 0.02 -0.32 -0.15 0.14 1.05 0.00 0.00 175.02 175.76 2ky9 s VAL 99 N 2.18 1.51 -0.25 10.11 -7.23 -1.00 -0.40 120.40 125.33 2ky9 s VAL 99 Ca 0.18 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2ky9 s VAL 99 Cb -0.16 -1.75 -0.00 0.00 0.56 0.00 0.00 36.38 35.03 2ky9 s VAL 99 CO 0.10 -0.47 0.01 -0.62 -0.31 0.00 0.00 175.10 173.80 2ky9 s ASP 100 N -2.77 4.66 0.22 4.85 -1.08 -0.29 -0.72 116.67 121.54 2ky9 s ASP 100 Ca 0.14 -0.48 0.02 0.00 -0.52 0.00 0.00 52.55 51.71 2ky9 s ASP 100 Cb -0.03 -1.80 -0.05 0.00 -1.46 0.00 0.00 42.92 39.58 2ky9 s ASP 100 CO 0.04 -0.07 0.04 -0.72 0.52 0.00 0.00 175.17 174.98 2ky9 s TYR 101 N 1.49 1.43 -0.26 -5.34 1.13 -0.51 -0.69 117.35 114.60 2ky9 s TYR 101 Ca 0.05 -1.06 -0.08 0.00 -1.41 0.00 0.00 57.07 54.57 2ky9 s TYR 101 Cb -0.15 -0.83 -0.03 0.00 -1.10 0.00 0.00 41.96 39.85 2ky9 s TYR 101 CO -0.01 -0.22 0.09 0.99 -2.51 0.00 0.00 175.55 173.90 2ky9 s THR 102 N -3.63 4.40 -0.67 -3.49 2.01 -1.26 -1.61 115.64 111.38 2ky9 s THR 102 Ca 0.30 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 2ky9 s THR 102 Cb 0.07 -3.10 -0.13 0.00 0.01 0.00 0.00 72.50 69.35 2ky9 s THR 102 CO 0.09 0.28 2.43 -1.20 -0.69 0.00 0.00 174.62 175.53 2ky9 n SER 103 N 4.94 1.72 0.24 3.53 7.64 0.32 -4.81 113.62 127.21 2ky9 n SER 103 Ca -0.16 -0.79 0.16 0.00 1.01 0.00 0.00 58.87 59.09 2ky9 n SER 103 Cb 0.51 -1.49 0.84 0.00 -1.01 0.00 0.00 64.21 63.07 2ky9 n SER 103 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2ky9 h THR 104 N 7.69 0.55 -0.70 0.44 1.35 -1.56 0.23 112.91 120.91 2ky9 h THR 104 Ca -0.12 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 2ky9 h THR 104 Cb 1.17 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 2ky9 h THR 104 CO 1.16 0.00 0.30 0.74 -0.25 0.00 0.00 175.52 177.47 2ky9 h THR 105 N 0.00 1.23 0.00 6.82 2.02 -1.84 -3.39 112.91 117.75 2ky9 h THR 105 Ca 0.05 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 2ky9 h THR 105 Cb 0.26 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2ky9 h THR 105 CO -0.00 0.29 -1.38 -1.54 0.37 0.00 0.00 175.52 173.26 2ky9 n SER 106 N -4.31 0.65 0.00 4.18 3.41 -0.90 -5.05 113.62 111.60 2ky9 n SER 106 Ca 0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2ky9 n SER 106 Cb 0.16 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ky9 n GLY 107 N 2.50 1.60 3.80 5.00 0.00 0.75 -5.10 105.19 113.74 2ky9 n GLY 107 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2ky9 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ky9 s GLU 108 N -0.10 4.33 -0.29 1.61 2.56 -1.23 -4.86 118.70 120.72 2ky9 s GLU 108 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 54.97 55.63 2ky9 s GLU 108 Cb 0.00 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2ky9 s GLU 108 CO 0.00 0.54 0.85 -1.59 -0.56 0.00 0.00 175.26 174.50 2ky9 s LYS 109 N -1.41 4.03 -0.08 4.30 -2.85 -1.26 -0.52 119.74 121.95 2ky9 s LYS 109 Ca 0.36 0.76 0.05 0.00 -1.00 0.00 0.00 55.97 56.14 2ky9 s LYS 109 Cb -0.20 -3.71 -0.00 0.00 -2.06 0.00 0.00 37.83 31.86 2ky9 s LYS 109 CO 0.22 -0.68 -0.24 0.08 0.10 0.00 0.00 175.35 174.83 2ky9 s VAL 110 N 3.05 2.00 0.39 1.79 1.01 -0.63 -4.98 120.40 123.03 2ky9 s VAL 110 Ca 0.35 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2ky9 s VAL 110 Cb -0.14 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2ky9 s VAL 110 CO 0.12 0.55 0.10 -1.59 0.00 0.00 0.00 175.10 174.28 2ky9 s LYS 111 N 0.11 2.13 -1.44 2.72 0.00 -1.26 -1.42 119.74 120.58 2ky9 s LYS 111 Ca -0.11 -1.88 -0.15 0.00 0.00 0.00 0.00 55.97 53.82 2ky9 s LYS 111 Cb -0.16 -1.89 0.14 0.00 0.00 0.00 0.00 37.83 35.92 2ky9 s LYS 111 CO 0.06 -0.04 0.56 0.27 0.00 0.00 0.00 175.35 176.21 2ky9 n ASN 112 N -1.11 -2.75 -4.74 0.03 2.04 -1.03 -4.91 115.26 102.79 2ky9 n ASN 112 Ca -0.03 -0.73 -0.42 0.00 -0.44 0.00 0.00 54.58 52.97 2ky9 n ASN 112 Cb 0.65 -2.31 -0.02 0.00 -2.53 0.00 0.00 39.78 35.56 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 2ky9 s HIS 113 N -3.02 2.87 -0.02 -2.53 2.46 0.10 -4.71 115.29 110.44 2ky9 s HIS 113 Ca 0.59 0.67 0.01 0.00 0.47 0.00 0.00 55.06 56.80 2ky9 s HIS 113 Cb -0.33 -4.04 0.02 0.00 -0.13 0.00 0.00 32.58 28.10 2ky9 s HIS 113 CO 0.73 -3.66 -0.02 0.15 -2.47 0.00 0.00 174.74 169.47 2ky9 s LYS 114 N 0.20 0.38 0.18 2.88 1.02 -1.26 -2.38 119.74 120.76 2ky9 s LYS 114 Ca 0.67 -0.01 0.10 0.00 0.02 0.00 0.00 55.97 56.75 2ky9 s LYS 114 Cb -0.47 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 2ky9 s LYS 114 CO 0.41 -0.07 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.04 2ky9 s TRP 115 N 0.70 2.52 0.01 3.18 0.52 -1.26 -4.83 118.94 119.78 2ky9 s TRP 115 Ca -0.07 -0.27 0.07 0.00 0.02 0.00 0.00 56.10 55.84 2ky9 s TRP 115 Cb -0.11 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 2ky9 s TRP 115 CO -0.01 0.51 -0.20 0.14 0.02 0.00 0.00 176.95 177.40 2ky9 s VAL 116 N -1.70 1.63 0.39 4.03 -7.23 -1.13 -4.48 120.40 111.91 2ky9 s VAL 116 Ca 0.23 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2ky9 s VAL 116 Cb -0.08 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2ky9 s VAL 116 CO 0.13 0.33 0.25 0.42 -0.31 0.00 0.00 175.10 175.92 2ky9 s THR 117 N -0.64 2.74 0.39 5.32 -4.23 -1.26 -0.63 115.64 117.33 2ky9 s THR 117 Ca 0.08 -1.53 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 2ky9 s THR 117 Cb -0.08 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 71.05 2ky9 s THR 117 CO 0.01 -0.06 1.97 -0.33 -0.54 0.00 0.00 174.62 175.66 2ky9 h GLU 118 N 1.29 0.60 -0.71 3.99 5.08 -1.91 -1.42 114.58 121.50 2ky9 h GLU 118 Ca -0.43 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2ky9 h GLU 118 Cb 1.26 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2ky9 h GLU 118 CO 0.63 0.40 0.46 0.22 -1.00 0.00 0.00 179.01 179.72 2ky9 h ASP 119 N 0.62 0.79 0.19 1.42 3.58 -1.92 -3.12 116.42 117.98 2ky9 h ASP 119 Ca 0.29 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2ky9 h ASP 119 Cb 0.35 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2ky9 h ASP 119 CO -0.09 0.56 -0.08 -0.62 -2.88 0.00 0.00 179.24 176.13 2ky9 n GLU 120 N -4.61 1.00 -4.39 0.28 1.02 -0.57 -4.77 120.64 108.59 2ky9 n GLU 120 Ca 0.07 -0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 56.52 2ky9 n GLU 120 Cb 0.04 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.28 2.33 0.08 -4.62 1.43 -1.01 -1.97 118.68 112.64 2ky9 s LEU 121 Ca 0.34 -0.76 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2ky9 s LEU 121 Cb 0.21 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2ky9 s LEU 121 CO 0.43 0.17 -0.23 -0.44 0.23 0.00 0.00 176.35 176.50 2ky9 s SER 122 N -2.13 2.83 0.49 2.29 0.01 -0.03 -4.87 113.70 112.29 2ky9 s SER 122 Ca 0.15 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 56.57 2ky9 s SER 122 Cb -0.10 -0.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.84 2ky9 s SER 122 CO 0.06 0.15 0.99 0.00 0.41 0.00 0.00 173.24 174.86 2ky9 s ALA 123 N -0.98 2.97 0.09 1.44 0.00 -1.20 -0.56 121.76 123.53 2ky9 s ALA 123 Ca 0.10 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 2ky9 s ALA 123 Cb -0.10 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2ky9 s ALA 123 CO 0.04 -0.19 1.55 -0.22 0.00 0.00 0.00 175.76 176.94 2ky9 h LYS 124 N 1.37 0.44 0.24 0.00 1.63 -1.84 -3.02 116.57 115.39 2ky9 h LYS 124 Ca -0.48 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.18 2ky9 h LYS 124 Cb 1.20 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2ky9 h LYS 124 CO 0.60 0.58 -0.12 1.25 -3.45 0.00 0.00 179.45 178.32 2ky9 h LEU 125 N 0.24 -0.28 -6.85 5.20 6.46 -1.94 -3.36 115.31 114.78 2ky9 h LEU 125 Ca 0.08 0.01 -0.72 0.00 -0.12 0.00 0.00 57.88 57.13 2ky9 h LEU 125 Cb 0.37 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.27 2ky9 h LEU 125 CO 0.01 -0.07 2.33 -0.62 -0.62 0.00 0.00 178.44 179.47 2ky9 n GLU 126 N -3.62 3.22 -2.60 1.25 1.02 -1.26 -4.99 120.64 113.66 2ky9 n GLU 126 Ca -0.04 -3.22 -0.37 0.00 -0.02 0.00 0.00 57.16 53.52 2ky9 n GLU 126 Cb 0.13 -3.20 -0.05 0.00 -0.02 0.00 0.00 31.44 28.30 2ky9 n GLU 126 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2ky9 s HIS 127 N 2.42 3.37 0.00 -0.32 2.46 -1.14 -3.21 115.29 118.88 2ky9 s HIS 127 Ca 0.46 1.67 0.00 0.00 0.47 0.00 0.00 55.06 57.66 2ky9 s HIS 127 Cb 0.08 -3.08 0.00 0.00 -0.13 0.00 0.00 32.58 29.45 2ky9 s HIS 127 CO -0.01 -0.42 0.00 0.72 -2.47 0.00 0.00 174.74 172.56 2ky9 n HIS 128 N 0.08 0.00 -2.09 3.88 8.25 -1.26 -4.97 115.22 119.11 2ky9 n HIS 128 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 2ky9 n HIS 128 Cb 0.50 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2ky9 n HIS 128 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ky9 s HIS 129 N -0.65 1.85 0.07 4.41 5.04 -1.21 -4.99 115.29 119.82 2ky9 s HIS 129 Ca 0.00 0.69 0.06 0.00 -1.54 0.00 0.00 55.06 54.26 2ky9 s HIS 129 Cb 0.00 -4.16 -0.04 0.00 0.04 0.00 0.00 32.58 28.42 2ky9 s HIS 129 CO 0.00 -2.47 -0.08 -1.01 -2.34 0.00 0.00 174.74 168.84 2ky9 s HIS 130 N 7.62 2.80 -0.23 3.88 3.76 -1.26 -4.50 115.29 127.37 2ky9 s HIS 130 Ca 0.69 -0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 55.41 2ky9 s HIS 130 Cb -0.16 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 2ky9 s HIS 130 CO 0.27 0.41 0.08 -1.58 -0.85 0.00 0.00 174.74 173.07 2ky9 s HIS 131 N -1.15 3.17 0.00 1.40 2.46 -1.26 -5.21 115.29 114.70 2ky9 s HIS 131 Ca 0.20 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.60 2ky9 s HIS 131 Cb -0.11 -2.19 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 2ky9 s HIS 131 CO 0.12 -0.12 0.19 1.58 -2.47 0.00 0.00 174.74 174.04