#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 4.49 0.01 2.12 3.01 -1.26 -4.98 119.74 123.13 2ky9 s LYS 2 Ca 0.00 1.82 -0.30 0.00 -1.01 0.00 0.00 55.97 56.48 2ky9 s LYS 2 Cb 0.00 -3.28 -0.06 0.00 -1.01 0.00 0.00 37.83 33.48 2ky9 s LYS 2 CO 0.00 -0.12 1.53 0.08 0.51 0.00 0.00 175.35 177.35 2ky9 s VAL 3 N 0.28 3.45 0.00 3.17 1.01 -1.26 -2.64 120.40 124.41 2ky9 s VAL 3 Ca 0.54 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2ky9 s VAL 3 Cb -0.31 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2ky9 s VAL 3 CO 0.34 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2ky9 n GLY 4 N 3.85 0.74 3.74 4.51 0.00 0.38 -5.02 105.19 113.39 2ky9 n GLY 4 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ky9 s SER 5 N -2.05 7.48 -0.44 1.61 0.15 -1.08 -4.83 113.70 114.54 2ky9 s SER 5 Ca 0.00 1.91 -0.23 0.00 0.70 0.00 0.00 55.95 58.32 2ky9 s SER 5 Cb 0.00 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2ky9 s SER 5 CO 0.00 -0.05 0.81 -1.58 1.20 0.00 0.00 173.24 173.62 2ky9 s GLN 6 N -0.38 3.48 0.24 5.44 0.74 -1.26 -1.36 119.66 126.56 2ky9 s GLN 6 Ca 0.46 0.01 0.10 0.00 0.05 0.00 0.00 55.36 55.98 2ky9 s GLN 6 Cb -0.25 -3.92 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 2ky9 s GLN 6 CO 0.32 -1.09 -0.17 0.14 -0.55 0.00 0.00 175.29 173.93 2ky9 s VAL 7 N 3.34 2.12 -0.10 1.34 -7.23 -0.36 -3.11 120.40 116.40 2ky9 s VAL 7 Ca 0.31 -2.31 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2ky9 s VAL 7 Cb -0.12 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2ky9 s VAL 7 CO 0.22 -0.50 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.88 2ky9 s ILE 8 N -2.74 4.18 -0.25 -0.62 -1.09 -0.01 -0.81 121.20 119.87 2ky9 s ILE 8 Ca 0.26 -0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 2ky9 s ILE 8 Cb -0.03 -2.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2ky9 s ILE 8 CO 0.11 0.58 1.08 -0.63 -1.23 0.00 0.00 174.94 174.84 2ky9 s ILE 9 N -0.57 4.58 0.01 2.92 1.01 -0.84 -0.82 121.20 127.50 2ky9 s ILE 9 Ca 0.09 1.89 -0.18 0.00 0.00 0.00 0.00 60.65 62.45 2ky9 s ILE 9 Cb -0.12 -4.31 -0.28 0.00 0.01 0.00 0.00 42.46 37.77 2ky9 s ILE 9 CO 0.02 -0.27 1.05 -1.13 0.00 0.00 0.00 174.94 174.62 2ky9 h ASN 10 N 7.75 0.67 -4.71 3.58 -1.24 -1.13 0.36 115.58 120.86 2ky9 h ASN 10 Ca -0.20 -0.83 -0.17 0.00 0.71 0.00 0.00 56.30 55.81 2ky9 h ASN 10 Cb 1.06 -0.21 -0.22 0.00 0.73 0.00 0.00 38.32 39.68 2ky9 h ASN 10 CO 1.00 1.43 -0.60 -0.89 -1.29 0.00 0.00 177.43 177.08 2ky9 s THR 11 N -2.93 0.08 0.09 -3.57 2.01 -0.88 -4.63 115.64 105.81 2ky9 s THR 11 Ca -0.12 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 2ky9 s THR 11 Cb 0.04 -0.30 0.04 0.00 0.01 0.00 0.00 72.50 72.30 2ky9 s THR 11 CO 0.87 -0.34 0.46 -0.94 -0.69 0.00 0.00 174.62 173.98 2ky9 s SER 12 N -1.10 -0.35 0.27 3.53 1.04 -1.26 -4.75 113.70 111.09 2ky9 s SER 12 Ca -0.12 -0.07 0.24 0.00 0.48 0.00 0.00 55.95 56.47 2ky9 s SER 12 Cb -0.07 0.49 0.36 0.00 0.10 0.00 0.00 66.02 66.90 2ky9 s SER 12 CO 0.00 -0.79 1.45 0.45 0.98 0.00 0.00 173.24 175.33 2ky9 h HIS 13 N 2.56 0.00 -3.54 5.02 3.86 -1.99 -3.46 115.15 117.61 2ky9 h HIS 13 Ca -0.33 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.42 2ky9 h HIS 13 Cb 1.24 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.78 2ky9 h HIS 13 CO 0.34 0.00 0.17 -1.64 0.86 0.00 0.00 177.93 177.66 2ky9 s MET 14 N -3.21 2.49 -0.19 2.45 -1.94 -1.26 -5.06 119.30 112.57 2ky9 s MET 14 Ca 0.06 -0.25 -0.23 0.00 -1.71 0.00 0.00 55.69 53.56 2ky9 s MET 14 Cb 0.09 -2.25 -0.20 0.00 2.01 0.00 0.00 34.83 34.48 2ky9 s MET 14 CO 0.69 -0.98 0.33 -0.22 -0.01 0.00 0.00 175.02 174.83 2ky9 h LYS 15 N -0.36 0.00 0.00 2.03 3.64 -1.97 -3.38 116.57 116.53 2ky9 h LYS 15 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2ky9 h LYS 15 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2ky9 h LYS 15 CO 0.59 0.99 0.00 0.41 -2.27 0.00 0.00 179.45 179.18 2ky9 n GLY 16 N 1.47 -1.34 0.08 5.01 0.00 -1.26 -3.32 105.19 105.83 2ky9 n GLY 16 Ca -0.27 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.30 1.61 1.85 -1.93 -2.96 114.93 107.21 2ky9 h MET 17 Ca 0.00 0.00 -0.55 0.00 -0.61 0.00 0.00 59.70 58.54 2ky9 h MET 17 Cb 0.44 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 2ky9 h MET 17 CO 0.00 0.51 0.98 0.21 -0.40 0.00 0.00 176.91 178.21 2ky9 s LYS 18 N -2.66 4.22 0.00 0.39 2.20 -1.21 -2.22 119.74 120.46 2ky9 s LYS 18 Ca -0.04 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 2ky9 s LYS 18 Cb 0.08 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2ky9 s LYS 18 CO 0.82 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2ky9 n GLY 19 N 3.89 0.84 3.78 5.54 0.00 0.12 -4.96 105.19 114.40 2ky9 n GLY 19 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.31 3.00 -0.73 4.61 0.00 -0.94 -4.63 121.76 119.75 2ky9 s ALA 20 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 2ky9 s ALA 20 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2ky9 s ALA 20 CO 0.00 -0.43 1.48 -1.21 0.00 0.00 0.00 175.76 175.60 2ky9 s GLU 21 N -2.71 3.04 0.41 0.00 2.02 -1.26 -1.99 118.70 118.22 2ky9 s GLU 21 Ca 0.62 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 55.61 2ky9 s GLU 21 Cb -0.24 -4.36 -0.01 0.00 0.10 0.00 0.00 34.13 29.62 2ky9 s GLU 21 CO 0.29 -2.36 0.47 0.00 0.02 0.00 0.00 175.26 173.69 2ky9 s ALA 22 N 6.75 4.29 -0.02 5.21 0.00 0.01 -2.63 121.76 135.37 2ky9 s ALA 22 Ca 0.46 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 2ky9 s ALA 22 Cb -0.09 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2ky9 s ALA 22 CO 0.14 -0.23 0.05 0.99 0.00 0.00 0.00 175.76 176.71 2ky9 s THR 23 N -2.39 -0.03 -0.28 0.00 2.01 -0.27 -1.22 115.64 113.46 2ky9 s THR 23 Ca 0.51 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 2ky9 s THR 23 Cb -0.07 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.33 2ky9 s THR 23 CO 0.30 0.05 1.50 -0.69 -0.69 0.00 0.00 174.62 175.09 2ky9 s VAL 24 N 0.61 3.85 -1.47 3.82 1.01 -0.46 -1.69 120.40 126.07 2ky9 s VAL 24 Ca -0.05 0.95 0.15 0.00 0.00 0.00 0.00 61.98 63.03 2ky9 s VAL 24 Cb -0.07 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2ky9 s VAL 24 CO -0.02 -0.42 0.85 0.35 0.00 0.00 0.00 175.10 175.86 2ky9 n THR 25 N 6.49 0.00 -3.54 3.92 -2.24 0.04 -0.47 114.28 118.47 2ky9 n THR 25 Ca 0.17 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2ky9 n THR 25 Cb 0.46 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.76 -0.44 -0.18 3.38 0.00 -0.63 -4.93 107.32 102.75 2ky9 s GLY 26 Ca 0.13 1.62 -0.01 0.00 0.00 0.00 0.00 44.72 46.46 2ky9 s GLY 26 CO 0.36 0.96 -0.03 0.00 0.00 0.00 0.00 173.10 174.39 2ky9 s ALA 27 N -1.25 1.46 -0.25 3.20 0.00 -1.26 -1.61 121.76 122.04 2ky9 s ALA 27 Ca -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2ky9 s ALA 27 Cb -0.00 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2ky9 s ALA 27 CO 0.05 -0.95 -0.05 0.71 0.00 0.00 0.00 175.76 175.53 2ky9 s TYR 28 N 1.64 3.06 -0.89 0.00 1.51 -0.36 -5.03 117.35 117.28 2ky9 s TYR 28 Ca -0.01 -1.43 -0.13 0.00 -1.01 0.00 0.00 57.07 54.49 2ky9 s TYR 28 Cb -0.16 -2.08 0.23 0.00 -0.11 0.00 0.00 41.96 39.83 2ky9 s TYR 28 CO -0.07 -0.69 0.85 0.34 -1.11 0.00 0.00 175.55 174.86 2ky9 s ASP 29 N 1.36 6.88 0.21 2.29 2.15 -1.26 -1.01 116.67 127.29 2ky9 s ASP 29 Ca 0.01 -2.87 0.01 0.00 0.43 0.00 0.00 52.55 50.13 2ky9 s ASP 29 Cb -0.16 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 2ky9 s ASP 29 CO -0.04 -0.53 0.08 0.28 -0.17 0.00 0.00 175.17 174.80 2ky9 s THR 30 N -0.07 0.40 0.05 1.71 -1.32 -1.26 -5.03 115.64 110.12 2ky9 s THR 30 Ca 0.21 -1.98 -0.30 0.00 -1.21 0.00 0.00 61.69 58.40 2ky9 s THR 30 Cb -0.10 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 2ky9 s THR 30 CO -0.09 -0.16 1.16 -0.89 -2.21 0.00 0.00 174.62 172.43 2ky9 s THR 31 N -3.86 4.20 0.17 5.08 2.01 -1.26 -3.69 115.64 118.29 2ky9 s THR 31 Ca 0.33 1.58 0.06 0.00 0.31 0.00 0.00 61.69 63.97 2ky9 s THR 31 Cb 0.07 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2ky9 s THR 31 CO 0.10 0.12 0.08 0.00 -0.69 0.00 0.00 174.62 174.23 2ky9 s ALA 32 N 1.07 3.43 0.03 7.40 0.00 -0.31 -1.30 121.76 132.08 2ky9 s ALA 32 Ca 0.57 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2ky9 s ALA 32 Cb -0.28 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2ky9 s ALA 32 CO 0.29 0.49 -0.08 0.71 0.00 0.00 0.00 175.76 177.17 2ky9 s TYR 33 N -1.75 0.72 -0.37 0.00 2.02 0.35 -1.42 117.35 116.90 2ky9 s TYR 33 Ca 0.30 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.49 2ky9 s TYR 33 Cb -0.10 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2ky9 s TYR 33 CO 0.22 -0.04 0.23 0.08 -1.57 0.00 0.00 175.55 174.46 2ky9 s VAL 34 N -1.02 4.84 0.08 0.71 1.01 -0.66 -3.63 120.40 121.73 2ky9 s VAL 34 Ca -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.33 2ky9 s VAL 34 Cb -0.08 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2ky9 s VAL 34 CO 0.00 -0.19 -0.18 0.68 0.00 0.00 0.00 175.10 175.41 2ky9 s VAL 35 N 1.61 2.83 -0.12 2.92 -7.23 -1.06 -0.79 120.40 118.57 2ky9 s VAL 35 Ca 0.04 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2ky9 s VAL 35 Cb -0.19 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2ky9 s VAL 35 CO 0.08 0.23 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.96 2ky9 s SER 36 N -1.76 2.85 0.07 4.85 1.04 -0.53 -0.45 113.70 119.78 2ky9 s SER 36 Ca 0.16 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2ky9 s SER 36 Cb -0.11 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2ky9 s SER 36 CO 0.08 0.06 0.20 -0.72 0.98 0.00 0.00 173.24 173.84 2ky9 s TYR 37 N 0.83 0.11 -0.32 5.02 1.13 -0.60 -0.97 117.35 122.55 2ky9 s TYR 37 Ca -0.08 -0.48 -0.06 0.00 -1.41 0.00 0.00 57.07 55.04 2ky9 s TYR 37 Cb -0.16 -0.04 0.03 0.00 -1.10 0.00 0.00 41.96 40.69 2ky9 s TYR 37 CO -0.01 -0.52 0.08 0.99 -2.51 0.00 0.00 175.55 173.59 2ky9 s THR 38 N -3.48 3.73 -0.33 -3.49 2.01 -1.26 -0.55 115.64 112.27 2ky9 s THR 38 Ca 0.02 -1.03 -0.41 0.00 0.31 0.00 0.00 61.69 60.58 2ky9 s THR 38 Cb 0.03 -3.06 -0.16 0.00 0.01 0.00 0.00 72.50 69.33 2ky9 s THR 38 CO -0.09 -0.09 1.80 -2.65 -0.69 0.00 0.00 174.62 172.91 2ky9 n PRO 39 N 4.81 0.93 0.29 4.92 -0.02 -1.26 -4.72 135.00 139.95 2ky9 n PRO 39 Ca -0.13 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.84 2ky9 n PRO 39 Cb 0.45 -2.03 0.93 0.00 -0.02 0.00 0.00 33.50 32.84 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 5.53 0.45 0.00 3.45 1.35 -1.67 -2.05 112.91 119.97 2ky9 h THR 40 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2ky9 h THR 40 Cb 1.33 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2ky9 h THR 40 CO 0.98 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 173.05 2ky9 n ASN 41 N -3.74 0.12 -0.81 5.36 5.15 -1.26 -4.85 115.26 115.23 2ky9 n ASN 41 Ca -0.02 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.97 2ky9 n ASN 41 Cb 0.13 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.44 0.53 3.61 8.20 0.00 -0.80 -5.03 105.19 112.13 2ky9 n GLY 42 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 2ky9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ky9 s GLY 43 N -2.54 2.02 0.26 -0.02 0.00 -1.03 -5.07 107.32 100.94 2ky9 s GLY 43 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 44.72 42.48 2ky9 s GLY 43 CO 0.00 -1.90 1.66 1.62 0.00 0.00 0.00 173.10 174.47 2ky9 s GLN 44 N -3.68 4.12 -0.14 2.90 2.00 -1.26 -4.17 119.66 119.43 2ky9 s GLN 44 Ca 0.34 2.60 -0.33 0.00 -2.00 0.00 0.00 55.36 55.97 2ky9 s GLN 44 Cb -0.01 -3.04 -0.10 0.00 0.80 0.00 0.00 33.01 30.66 2ky9 s GLN 44 CO 0.19 -0.69 2.01 -2.13 -0.50 0.00 0.00 175.29 174.16 2ky9 n ARG 45 N 2.96 2.07 -2.93 1.67 0.00 -1.26 -4.46 116.66 114.70 2ky9 n ARG 45 Ca 0.12 0.71 -0.43 0.00 -0.00 0.00 0.00 57.85 58.25 2ky9 n ARG 45 Cb 0.36 -2.78 -0.05 0.00 0.00 0.00 0.00 32.46 29.99 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ky9 s VAL 46 N 5.44 4.64 -0.11 5.15 1.01 0.28 -4.96 120.40 131.86 2ky9 s VAL 46 Ca 0.96 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 2ky9 s VAL 46 Cb -0.61 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 2ky9 s VAL 46 CO 0.47 -0.64 0.05 -0.62 0.00 0.00 0.00 175.10 174.36 2ky9 s ASP 47 N 2.05 5.65 -1.50 3.32 2.15 -1.26 -1.55 116.67 125.53 2ky9 s ASP 47 Ca 0.32 0.24 -0.13 0.00 0.43 0.00 0.00 52.55 53.41 2ky9 s ASP 47 Cb -0.12 -1.73 0.07 0.00 -0.30 0.00 0.00 42.92 40.84 2ky9 s ASP 47 CO 0.21 0.36 1.01 1.41 -0.17 0.00 0.00 175.17 178.00 2ky9 n HIS 48 N 2.25 -2.39 -2.04 -5.34 8.25 -1.16 -4.95 115.22 109.84 2ky9 n HIS 48 Ca -0.19 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 57.78 2ky9 n HIS 48 Cb 0.54 -4.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.44 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 -3.32 3.05 0.05 4.41 2.46 0.40 -4.76 115.29 117.59 2ky9 s HIS 49 Ca 0.63 0.73 0.02 0.00 0.47 0.00 0.00 55.06 56.92 2ky9 s HIS 49 Cb -0.31 -3.82 -0.03 0.00 -0.13 0.00 0.00 32.58 28.30 2ky9 s HIS 49 CO 0.81 -3.00 -0.08 0.15 -2.47 0.00 0.00 174.74 170.15 2ky9 s LYS 50 N 1.36 0.60 -0.08 2.88 1.02 -1.26 -2.55 119.74 121.70 2ky9 s LYS 50 Ca 0.68 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.82 2ky9 s LYS 50 Cb -0.40 -0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2ky9 s LYS 50 CO 0.31 0.05 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.11 2ky9 s TRP 51 N -1.69 2.86 -0.03 3.18 0.52 -1.25 -4.92 118.94 117.62 2ky9 s TRP 51 Ca -0.06 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 55.96 2ky9 s TRP 51 Cb -0.08 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 2ky9 s TRP 51 CO -0.00 0.17 -0.22 0.14 0.02 0.00 0.00 176.95 177.06 2ky9 s VAL 52 N -0.49 1.74 0.43 4.03 -7.23 -1.24 -4.04 120.40 113.60 2ky9 s VAL 52 Ca 0.07 -0.92 0.08 0.00 -1.81 0.00 0.00 61.98 59.39 2ky9 s VAL 52 Cb -0.12 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2ky9 s VAL 52 CO 0.02 0.49 0.40 0.27 -0.31 0.00 0.00 175.10 175.97 2ky9 s ILE 53 N -0.37 2.59 0.39 -0.62 -4.36 -1.26 -0.49 121.20 117.07 2ky9 s ILE 53 Ca 0.05 -1.33 0.09 0.00 -0.26 0.00 0.00 60.65 59.19 2ky9 s ILE 53 Cb -0.10 -2.92 0.30 0.00 1.25 0.00 0.00 42.46 41.00 2ky9 s ILE 53 CO 0.00 0.00 1.97 -0.61 0.24 0.00 0.00 174.94 176.55 2ky9 h GLN 54 N 0.97 0.59 0.00 0.37 4.15 -1.55 -1.32 115.11 118.32 2ky9 h GLN 54 Ca -0.41 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.92 2ky9 h GLN 54 Cb 1.27 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2ky9 h GLN 54 CO 0.56 0.39 -0.28 1.49 -1.93 0.00 0.00 178.83 179.06 2ky9 h GLU 55 N 0.61 0.00 0.00 1.69 4.57 -1.96 -3.24 114.58 116.26 2ky9 h GLU 55 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2ky9 h GLU 55 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2ky9 h GLU 55 CO -0.09 0.28 -0.41 -1.91 -1.18 0.00 0.00 179.01 175.70 2ky9 n GLU 56 N -3.49 0.13 -4.42 1.92 4.07 -0.51 -4.86 120.64 113.48 2ky9 n GLU 56 Ca -0.00 0.05 -0.34 0.00 -0.06 0.00 0.00 57.16 56.80 2ky9 n GLU 56 Cb 0.45 -1.60 -0.10 0.00 -0.06 0.00 0.00 31.44 30.13 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2ky9 s ILE 57 N -3.07 4.13 -0.05 6.31 1.01 -1.15 -3.93 121.20 124.46 2ky9 s ILE 57 Ca 0.10 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.22 2ky9 s ILE 57 Cb 0.16 -2.74 -0.16 0.00 0.01 0.00 0.00 42.46 39.72 2ky9 s ILE 57 CO 0.67 0.58 0.93 0.50 0.00 0.00 0.00 174.94 177.62 2ky9 h LYS 58 N 5.49 -0.20 0.00 2.79 3.64 -1.78 -3.29 116.57 123.21 2ky9 h LYS 58 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2ky9 h LYS 58 Cb 1.19 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2ky9 h LYS 58 CO 0.56 0.23 0.00 -3.47 -2.27 0.00 0.00 179.45 174.50 2ky9 n ASP 59 N -4.93 0.03 0.08 4.20 2.03 -1.26 -3.54 116.55 113.16 2ky9 n ASP 59 Ca -0.08 0.51 -0.07 0.00 0.52 0.00 0.00 54.79 55.67 2ky9 n ASP 59 Cb 0.27 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ky9 h ALA 60 N 2.18 -0.81 -2.25 -1.67 0.00 -1.86 -3.47 119.26 111.38 2ky9 h ALA 60 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2ky9 h ALA 60 Cb 0.09 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2ky9 h ALA 60 CO 0.00 -0.85 -0.43 0.41 0.00 0.00 0.00 179.25 178.39 2ky9 n GLY 61 N -1.21 -0.07 2.76 0.00 0.00 -1.23 -1.61 105.19 103.82 2ky9 n GLY 61 Ca -0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.24 -5.49 -4.86 1.61 9.92 -1.26 -5.01 116.55 110.22 2ky9 n ASP 62 Ca -0.20 0.17 -0.36 0.00 -0.53 0.00 0.00 54.79 53.87 2ky9 n ASP 62 Cb 0.64 -3.59 -0.06 0.00 -0.64 0.00 0.00 41.12 37.48 2ky9 n ASP 62 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ky9 s LYS 63 N -2.42 3.78 -0.39 -1.24 2.20 -0.63 -5.05 119.74 115.99 2ky9 s LYS 63 Ca 0.00 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 2ky9 s LYS 63 Cb 0.00 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 33.25 2ky9 s LYS 63 CO 0.00 0.61 1.62 0.99 -0.36 0.00 0.00 175.35 178.20 2ky9 s THR 64 N -1.30 3.67 -0.02 3.43 2.01 -1.26 -4.84 115.64 117.33 2ky9 s THR 64 Ca 0.30 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 2ky9 s THR 64 Cb -0.15 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2ky9 s THR 64 CO 0.16 -0.62 1.04 -0.76 -0.69 0.00 0.00 174.62 173.75 2ky9 s LEU 65 N 6.31 4.33 0.24 4.42 1.43 -1.26 -5.06 118.68 129.10 2ky9 s LEU 65 Ca 0.70 1.70 0.11 0.00 -1.03 0.00 0.00 54.13 55.61 2ky9 s LEU 65 Cb -0.18 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2ky9 s LEU 65 CO 0.32 -0.36 -0.20 -1.10 0.23 0.00 0.00 176.35 175.24 2ky9 s GLN 66 N 1.34 1.67 -0.25 1.70 -0.21 -1.26 -4.58 119.66 118.07 2ky9 s GLN 66 Ca 0.53 -1.62 -0.38 0.00 0.02 0.00 0.00 55.36 53.90 2ky9 s GLN 66 Cb -0.22 -1.85 -0.14 0.00 1.00 0.00 0.00 33.01 31.80 2ky9 s GLN 66 CO 0.25 0.37 1.83 -2.30 -2.12 0.00 0.00 175.29 173.32 2ky9 n PRO 67 N -0.23 1.35 0.00 2.91 -0.02 -1.26 -1.72 135.00 136.03 2ky9 n PRO 67 Ca -0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ky9 n PRO 67 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.54 2.68 3.76 -1.23 0.00 -0.38 -5.02 105.19 109.53 2ky9 n GLY 68 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.09 7.00 -0.25 1.61 1.01 -0.70 -4.81 116.67 119.43 2ky9 s ASP 69 Ca 0.00 2.45 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 2ky9 s ASP 69 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2ky9 s ASP 69 CO 0.00 -0.38 0.14 -1.58 0.21 0.00 0.00 175.17 173.56 2ky9 s GLN 70 N -1.25 3.90 0.36 8.23 0.74 -1.26 -1.21 119.66 129.16 2ky9 s GLN 70 Ca 0.49 -0.36 0.08 0.00 0.05 0.00 0.00 55.36 55.63 2ky9 s GLN 70 Cb -0.36 -3.49 -0.07 0.00 1.10 0.00 0.00 33.01 30.19 2ky9 s GLN 70 CO 0.45 -0.08 -0.05 0.14 -0.55 0.00 0.00 175.29 175.20 2ky9 s VAL 71 N 1.41 2.05 -0.10 1.34 -7.23 -0.01 -4.98 120.40 112.88 2ky9 s VAL 71 Ca 0.06 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.11 2ky9 s VAL 71 Cb -0.15 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2ky9 s VAL 71 CO 0.06 -0.14 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.01 2ky9 s ILE 72 N -2.72 3.59 -0.35 -0.62 -1.09 -1.26 -1.20 121.20 117.56 2ky9 s ILE 72 Ca 0.33 -0.50 -0.16 0.00 -2.23 0.00 0.00 60.65 58.09 2ky9 s ILE 72 Cb 0.05 -2.50 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2ky9 s ILE 72 CO 0.16 0.56 0.42 -0.76 -1.23 0.00 0.00 174.94 174.09 2ky9 s LEU 73 N -0.28 4.46 0.10 2.97 1.43 -1.07 -2.33 118.68 123.97 2ky9 s LEU 73 Ca 0.04 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2ky9 s LEU 73 Cb -0.13 -2.42 -0.19 0.00 0.03 0.00 0.00 46.19 43.49 2ky9 s LEU 73 CO 0.03 -0.41 1.22 -0.33 0.23 0.00 0.00 176.35 177.09 2ky9 h GLU 74 N 8.49 0.29 -7.22 1.70 5.08 -1.88 -1.37 114.58 119.68 2ky9 h GLU 74 Ca -0.29 -0.41 -0.48 0.00 -1.00 0.00 0.00 59.36 57.19 2ky9 h GLU 74 Cb 1.13 0.14 0.06 0.00 0.50 0.00 0.00 28.75 30.59 2ky9 h GLU 74 CO 0.73 1.14 0.24 0.00 -1.00 0.00 0.00 179.01 180.12 2ky9 s ALA 75 N -2.90 3.19 -0.07 3.43 0.00 -1.26 -4.74 121.76 119.40 2ky9 s ALA 75 Ca -0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2ky9 s ALA 75 Cb 0.08 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.54 2ky9 s ALA 75 CO 0.87 -0.93 0.16 -1.54 0.00 0.00 0.00 175.76 174.32 2ky9 s SER 76 N -4.34 0.23 0.00 0.00 1.04 -1.26 -3.07 113.70 106.30 2ky9 s SER 76 Ca 0.55 0.32 0.24 0.00 0.48 0.00 0.00 55.95 57.55 2ky9 s SER 76 Cb -0.11 0.24 0.27 0.00 0.10 0.00 0.00 66.02 66.52 2ky9 s SER 76 CO 0.47 -0.19 1.31 1.41 0.98 0.00 0.00 173.24 177.21 2ky9 n HIS 77 N 4.67 0.11 -3.79 5.02 8.25 -1.26 -4.95 115.22 123.28 2ky9 n HIS 77 Ca -0.18 -0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.14 2ky9 n HIS 77 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 s MET 78 N -1.89 1.48 0.48 -0.41 0.23 -1.26 -5.09 119.30 112.84 2ky9 s MET 78 Ca 0.31 -0.93 0.21 0.00 -1.03 0.00 0.00 55.69 54.25 2ky9 s MET 78 Cb 0.21 0.53 1.23 0.00 -1.53 0.00 0.00 34.83 35.27 2ky9 s MET 78 CO 0.30 -0.64 1.95 1.57 -2.03 0.00 0.00 175.02 176.18 2ky9 h LYS 79 N 2.16 0.20 0.00 3.16 2.10 -2.01 -2.66 116.57 119.53 2ky9 h LYS 79 Ca -0.27 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 2ky9 h LYS 79 Cb 1.26 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 2ky9 h LYS 79 CO 0.34 0.13 -0.39 0.41 -2.00 0.00 0.00 179.45 177.95 2ky9 n GLY 80 N -1.59 4.58 0.13 0.07 0.00 -1.26 -4.78 105.19 102.35 2ky9 n GLY 80 Ca 0.13 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 0.66 0.23 -6.28 1.61 -1.53 -1.79 -1.73 114.93 106.12 2ky9 h MET 81 Ca -0.02 -0.40 -0.55 0.00 -3.44 0.00 0.00 59.70 55.29 2ky9 h MET 81 Cb 1.08 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 32.28 2ky9 h MET 81 CO 0.01 1.19 1.05 0.21 0.14 0.00 0.00 176.91 179.51 2ky9 s LYS 82 N -2.53 4.19 0.00 0.39 2.20 -1.18 -2.00 119.74 120.81 2ky9 s LYS 82 Ca -0.23 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2ky9 s LYS 82 Cb 0.06 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2ky9 s LYS 82 CO 0.75 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2ky9 n GLY 83 N 4.06 0.79 3.79 5.54 0.00 -0.52 -4.97 105.19 113.87 2ky9 n GLY 83 Ca 0.17 0.00 -0.36 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 -2.83 3.15 -0.21 4.61 0.00 -0.85 -4.89 121.76 120.73 2ky9 s ALA 84 Ca 0.00 0.59 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 2ky9 s ALA 84 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2ky9 s ALA 84 CO 0.00 0.01 0.67 0.99 0.00 0.00 0.00 175.76 177.43 2ky9 s THR 85 N -1.69 4.98 0.32 0.00 2.01 -1.26 -2.60 115.64 117.39 2ky9 s THR 85 Ca 0.54 1.27 0.10 0.00 0.31 0.00 0.00 61.69 63.91 2ky9 s THR 85 Cb -0.19 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2ky9 s THR 85 CO 0.24 0.07 -0.10 0.00 -0.69 0.00 0.00 174.62 174.14 2ky9 s ALA 86 N 2.14 2.95 -0.06 7.40 0.00 -0.34 -4.07 121.76 129.78 2ky9 s ALA 86 Ca 0.30 -1.96 0.01 0.00 0.00 0.00 0.00 51.96 50.31 2ky9 s ALA 86 Cb -0.16 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2ky9 s ALA 86 CO 0.10 0.16 -0.07 -2.00 0.00 0.00 0.00 175.76 173.95 2ky9 s GLU 87 N -3.60 1.20 -0.14 0.00 2.12 -0.14 -0.83 118.70 117.31 2ky9 s GLU 87 Ca 0.32 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.14 2ky9 s GLU 87 Cb -0.01 -1.13 -0.05 0.00 0.26 0.00 0.00 34.13 33.21 2ky9 s GLU 87 CO 0.17 -0.07 1.75 0.42 -0.54 0.00 0.00 175.26 176.98 2ky9 s ILE 88 N 0.96 3.49 0.03 -3.70 -1.09 -0.35 -1.45 121.20 119.09 2ky9 s ILE 88 Ca -0.10 0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 2ky9 s ILE 88 Cb -0.15 -3.46 -0.30 0.00 -1.58 0.00 0.00 42.46 36.98 2ky9 s ILE 88 CO 0.00 -0.16 0.96 0.44 -1.23 0.00 0.00 174.94 174.96 2ky9 h ASP 89 N 10.91 0.52 -4.83 3.58 3.32 -1.28 -1.01 116.42 127.63 2ky9 h ASP 89 Ca -0.38 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.02 2ky9 h ASP 89 Cb 1.18 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.38 2ky9 h ASP 89 CO 0.98 1.51 0.27 -0.55 -1.72 0.00 0.00 179.24 179.72 2ky9 s SER 90 N -7.19 -0.58 -0.11 6.45 0.15 -1.21 -4.57 113.70 106.63 2ky9 s SER 90 Ca -0.08 0.54 0.01 0.00 0.70 0.00 0.00 55.95 57.12 2ky9 s SER 90 Cb 0.06 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2ky9 s SER 90 CO 0.88 -0.61 -0.16 0.00 1.20 0.00 0.00 173.24 174.55 2ky9 s ALA 91 N -1.59 2.48 -0.08 5.45 0.00 -1.26 -1.65 121.76 125.11 2ky9 s ALA 91 Ca -0.07 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 2ky9 s ALA 91 Cb -0.00 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 22.07 2ky9 s ALA 91 CO 0.05 0.28 -0.01 -2.00 0.00 0.00 0.00 175.76 174.08 2ky9 s GLU 92 N 0.27 0.74 -0.81 0.00 2.12 -0.51 -5.03 118.70 115.47 2ky9 s GLU 92 Ca -0.12 0.06 -0.19 0.00 0.36 0.00 0.00 54.97 55.07 2ky9 s GLU 92 Cb -0.16 -1.06 0.12 0.00 0.26 0.00 0.00 34.13 33.28 2ky9 s GLU 92 CO 0.06 -0.30 1.02 0.15 -0.54 0.00 0.00 175.26 175.65 2ky9 s LYS 93 N 1.94 3.41 0.06 4.30 3.01 -1.26 -1.16 119.74 130.02 2ky9 s LYS 93 Ca 0.05 -1.51 0.01 0.00 -1.01 0.00 0.00 55.97 53.52 2ky9 s LYS 93 Cb -0.12 -4.64 -0.03 0.00 -1.01 0.00 0.00 37.83 32.03 2ky9 s LYS 93 CO -0.06 -1.73 -0.06 -0.08 0.51 0.00 0.00 175.35 173.93 2ky9 s THR 94 N 2.91 0.48 -0.05 2.17 -1.32 -1.24 -4.98 115.64 113.62 2ky9 s THR 94 Ca 0.27 -1.39 -0.29 0.00 -1.21 0.00 0.00 61.69 59.07 2ky9 s THR 94 Cb -0.11 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2ky9 s THR 94 CO -0.03 -0.61 0.96 -0.89 -2.21 0.00 0.00 174.62 171.84 2ky9 s THR 95 N -2.33 4.86 -0.05 5.08 2.01 -1.26 -4.05 115.64 119.89 2ky9 s THR 95 Ca -0.03 1.98 0.06 0.00 0.31 0.00 0.00 61.69 64.02 2ky9 s THR 95 Cb -0.04 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2ky9 s THR 95 CO -0.02 0.11 -0.24 0.68 -0.69 0.00 0.00 174.62 174.45 2ky9 s VAL 96 N 1.39 2.00 0.21 3.82 -7.23 -0.18 -2.82 120.40 117.60 2ky9 s VAL 96 Ca 0.49 -1.04 0.08 0.00 -1.81 0.00 0.00 61.98 59.69 2ky9 s VAL 96 Cb -0.20 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2ky9 s VAL 96 CO 0.23 0.56 0.06 -0.31 -0.31 0.00 0.00 175.10 175.32 2ky9 s TYR 97 N -0.19 2.90 -0.31 2.82 1.51 0.19 -1.22 117.35 123.05 2ky9 s TYR 97 Ca -0.02 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 2ky9 s TYR 97 Cb -0.13 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2ky9 s TYR 97 CO 0.03 0.55 0.21 1.41 -1.11 0.00 0.00 175.55 176.64 2ky9 s MET 98 N -3.35 3.70 0.08 -0.62 -2.45 -0.64 -3.30 119.30 112.72 2ky9 s MET 98 Ca 0.30 -0.50 0.08 0.00 -1.25 0.00 0.00 55.69 54.32 2ky9 s MET 98 Cb -0.08 -3.72 -0.03 0.00 1.25 0.00 0.00 34.83 32.24 2ky9 s MET 98 CO 0.21 -0.32 -0.21 0.14 1.05 0.00 0.00 175.02 175.90 2ky9 s VAL 99 N 1.73 1.68 -0.29 10.11 -7.23 -1.12 -0.78 120.40 124.51 2ky9 s VAL 99 Ca 0.06 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 2ky9 s VAL 99 Cb -0.17 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 2ky9 s VAL 99 CO 0.10 0.03 0.08 -1.81 -0.31 0.00 0.00 175.10 173.19 2ky9 s ASP 100 N -1.65 5.14 0.34 4.85 1.11 -0.68 -1.36 116.67 124.42 2ky9 s ASP 100 Ca 0.07 -0.58 0.04 0.00 0.18 0.00 0.00 52.55 52.25 2ky9 s ASP 100 Cb -0.10 -1.90 -0.06 0.00 1.07 0.00 0.00 42.92 41.93 2ky9 s ASP 100 CO 0.03 -0.16 0.05 -0.72 1.18 0.00 0.00 175.17 175.56 2ky9 s TYR 101 N 1.53 2.03 -0.31 4.23 1.13 -0.70 -1.11 117.35 124.15 2ky9 s TYR 101 Ca 0.04 -0.93 -0.04 0.00 -1.41 0.00 0.00 57.07 54.72 2ky9 s TYR 101 Cb -0.17 -1.35 0.04 0.00 -1.10 0.00 0.00 41.96 39.38 2ky9 s TYR 101 CO 0.03 0.06 0.04 0.99 -2.51 0.00 0.00 175.55 174.16 2ky9 s THR 102 N -3.22 3.39 -0.64 -3.49 2.01 -1.08 -1.30 115.64 111.31 2ky9 s THR 102 Ca 0.36 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 2ky9 s THR 102 Cb 0.09 -2.88 -0.12 0.00 0.01 0.00 0.00 72.50 69.60 2ky9 s THR 102 CO 0.16 -0.07 2.43 -1.20 -0.69 0.00 0.00 174.62 175.25 2ky9 n SER 103 N 4.73 1.82 -0.12 3.53 7.64 0.43 -4.08 113.62 127.57 2ky9 n SER 103 Ca -0.13 -0.72 -0.06 0.00 1.01 0.00 0.00 58.87 58.97 2ky9 n SER 103 Cb 0.45 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.18 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 7.70 0.91 -0.05 0.44 1.35 -1.81 0.23 112.91 121.68 2ky9 h THR 104 Ca -0.14 -0.11 -0.15 0.00 -0.55 0.00 0.00 66.41 65.45 2ky9 h THR 104 Cb 1.19 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2ky9 h THR 104 CO 1.16 0.06 -0.65 0.00 -0.25 0.00 0.00 175.52 175.84 2ky9 h THR 105 N 0.33 1.42 0.00 6.82 1.03 -1.89 -3.28 112.91 117.34 2ky9 h THR 105 Ca 0.18 -2.12 -0.19 0.00 -0.01 0.00 0.00 66.41 64.28 2ky9 h THR 105 Cb 0.15 2.11 -0.03 0.00 -1.07 0.00 0.00 68.15 69.30 2ky9 h THR 105 CO -0.17 0.62 -1.26 0.28 -0.01 0.00 0.00 175.52 174.98 2ky9 h SER 106 N 0.13 0.00 0.00 0.00 0.02 -1.80 -3.48 113.55 108.42 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 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ky9 h SER 106 CO 0.10 0.69 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2ky9 n GLY 107 N 1.39 3.02 3.75 -3.77 0.00 0.76 -5.04 105.19 105.30 2ky9 n GLY 107 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.21 4.47 -0.17 1.61 2.12 -1.23 -4.74 118.70 120.55 2ky9 s GLU 108 Ca 0.00 1.97 -0.11 0.00 0.36 0.00 0.00 54.97 57.18 2ky9 s GLU 108 Cb 0.00 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2ky9 s GLU 108 CO 0.00 -0.09 0.20 0.15 -0.54 0.00 0.00 175.26 174.98 2ky9 s LYS 109 N -0.69 4.11 -0.14 4.30 1.02 -1.26 -0.43 119.74 126.65 2ky9 s LYS 109 Ca 0.52 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2ky9 s LYS 109 Cb -0.35 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 2ky9 s LYS 109 CO 0.41 0.35 -0.14 0.08 -0.92 0.00 0.00 175.35 175.13 2ky9 s VAL 110 N 0.18 2.89 -0.03 3.17 1.01 -0.42 -4.98 120.40 122.22 2ky9 s VAL 110 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2ky9 s VAL 110 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2ky9 s VAL 110 CO 0.01 0.52 0.01 -0.54 0.00 0.00 0.00 175.10 175.10 2ky9 s LYS 111 N 0.54 2.87 -1.41 2.72 1.02 -1.26 -1.72 119.74 122.50 2ky9 s LYS 111 Ca -0.09 -0.54 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 2ky9 s LYS 111 Cb -0.16 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2ky9 s LYS 111 CO 0.04 0.65 1.10 0.09 -0.92 0.00 0.00 175.35 176.30 2ky9 n ASN 112 N 1.58 -6.11 -4.73 2.83 5.03 -1.22 -4.95 115.26 107.70 2ky9 n ASN 112 Ca -0.16 -0.55 -0.41 0.00 0.87 0.00 0.00 54.58 54.33 2ky9 n ASN 112 Cb 0.53 -4.82 -0.03 0.00 -1.02 0.00 0.00 39.78 34.44 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 -3.30 3.24 -0.01 3.10 2.46 -0.46 -4.79 115.29 115.53 2ky9 s HIS 113 Ca 0.57 1.16 -0.04 0.00 0.47 0.00 0.00 55.06 57.23 2ky9 s HIS 113 Cb -0.26 -3.63 -0.00 0.00 -0.13 0.00 0.00 32.58 28.56 2ky9 s HIS 113 CO 0.71 -2.03 0.07 0.15 -2.47 0.00 0.00 174.74 171.17 2ky9 s LYS 114 N 0.10 0.28 -0.23 2.88 1.02 -1.26 -2.81 119.74 119.72 2ky9 s LYS 114 Ca 0.58 -0.24 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 2ky9 s LYS 114 Cb -0.37 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 2ky9 s LYS 114 CO 0.37 -0.05 0.04 -1.58 -0.92 0.00 0.00 175.35 173.21 2ky9 s TRP 115 N -0.80 3.08 0.16 3.18 0.52 -1.26 -4.98 118.94 118.83 2ky9 s TRP 115 Ca -0.09 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.63 2ky9 s TRP 115 Cb -0.05 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 2ky9 s TRP 115 CO 0.00 -0.29 0.30 0.14 0.02 0.00 0.00 176.95 177.13 2ky9 s VAL 116 N 1.31 5.30 0.24 4.03 -7.23 -1.21 -3.96 120.40 118.88 2ky9 s VAL 116 Ca 0.05 -0.62 0.09 0.00 -1.81 0.00 0.00 61.98 59.69 2ky9 s VAL 116 Cb -0.15 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 2ky9 s VAL 116 CO 0.02 -0.11 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.77 2ky9 s THR 117 N -1.77 3.32 0.37 5.32 2.01 -1.26 -0.64 115.64 122.99 2ky9 s THR 117 Ca 0.35 -1.85 0.04 0.00 0.31 0.00 0.00 61.69 60.54 2ky9 s THR 117 Cb -0.11 -2.73 0.27 0.00 0.01 0.00 0.00 72.50 69.94 2ky9 s THR 117 CO 0.29 -0.29 2.01 -0.08 -0.69 0.00 0.00 174.62 175.86 2ky9 h GLU 118 N 2.24 0.75 -0.83 4.92 4.81 -1.88 -0.76 114.58 123.84 2ky9 h GLU 118 Ca -0.45 -0.05 0.20 0.00 -0.13 0.00 0.00 59.36 58.94 2ky9 h GLU 118 Cb 1.24 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2ky9 h GLU 118 CO 0.58 0.50 0.57 0.22 -0.73 0.00 0.00 179.01 180.15 2ky9 h ASP 119 N 0.77 0.25 -0.51 1.04 3.58 -1.96 -2.28 116.42 117.32 2ky9 h ASP 119 Ca 0.24 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2ky9 h ASP 119 Cb -0.01 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ky9 h ASP 119 CO -0.06 0.10 0.00 -0.62 -2.88 0.00 0.00 179.24 175.79 2ky9 n GLU 120 N -4.43 2.56 -4.36 0.28 1.02 -0.32 -4.71 120.64 110.68 2ky9 n GLU 120 Ca 0.17 -2.38 -0.20 0.00 -0.02 0.00 0.00 57.16 54.73 2ky9 n GLU 120 Cb 0.73 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.24 2.54 -0.10 -4.62 1.43 -0.86 -0.63 118.68 115.20 2ky9 s LEU 121 Ca 0.41 -0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 2ky9 s LEU 121 Cb 0.23 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.70 2ky9 s LEU 121 CO 0.31 -0.11 0.29 -0.55 0.23 0.00 0.00 176.35 176.52 2ky9 s SER 122 N -3.20 -0.29 0.05 2.29 0.15 0.00 -4.64 113.70 108.07 2ky9 s SER 122 Ca 0.22 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 57.10 2ky9 s SER 122 Cb -0.03 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 2ky9 s SER 122 CO 0.08 -0.13 1.14 0.00 1.20 0.00 0.00 173.24 175.53 2ky9 s ALA 123 N 0.02 3.33 -0.93 5.45 0.00 -1.26 -0.83 121.76 127.55 2ky9 s ALA 123 Ca -0.01 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 2ky9 s ALA 123 Cb -0.02 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2ky9 s ALA 123 CO 0.01 -0.37 1.78 0.21 0.00 0.00 0.00 175.76 177.39 2ky9 s LYS 124 N 0.99 2.88 -0.00 0.00 2.20 -1.18 -4.68 119.74 119.95 2ky9 s LYS 124 Ca 0.57 -0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2ky9 s LYS 124 Cb -0.27 -5.12 -0.01 0.00 -1.51 0.00 0.00 37.83 30.92 2ky9 s LYS 124 CO 0.29 -2.98 -0.06 1.28 -0.36 0.00 0.00 175.35 173.52 2ky9 n LEU 125 N 12.31 0.64 -4.93 5.43 4.77 -1.26 -4.99 117.00 128.96 2ky9 n LEU 125 Ca 0.37 0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 56.19 2ky9 n LEU 125 Cb 0.48 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2ky9 n LEU 125 CO 0.62 -0.53 0.24 -1.83 -1.33 0.00 0.00 177.39 174.55 2ky9 s GLU 126 N -1.60 3.52 -1.39 3.23 -1.05 -1.26 -5.01 118.70 115.14 2ky9 s GLU 126 Ca -0.05 -0.16 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 2ky9 s GLU 126 Cb 0.01 -2.60 0.07 0.00 -0.44 0.00 0.00 34.13 31.17 2ky9 s GLU 126 CO 0.07 0.09 2.05 1.58 0.95 0.00 0.00 175.26 180.00 2ky9 n HIS 127 N -1.73 3.73 -3.52 4.83 -0.00 -1.26 -4.83 115.22 112.44 2ky9 n HIS 127 Ca -0.03 -2.94 -0.12 0.00 -0.00 0.00 0.00 57.72 54.62 2ky9 n HIS 127 Cb 0.56 -2.48 -0.11 0.00 -0.00 0.00 0.00 29.99 27.96 2ky9 n HIS 127 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ky9 s HIS 128 N 2.94 -0.58 -0.15 1.57 4.02 -1.26 -5.06 115.29 116.76 2ky9 s HIS 128 Ca 0.47 0.85 -0.12 0.00 1.02 0.00 0.00 55.06 57.28 2ky9 s HIS 128 Cb 0.11 -0.03 -0.08 0.00 -1.02 0.00 0.00 32.58 31.55 2ky9 s HIS 128 CO -0.04 -0.55 0.02 1.25 1.02 0.00 0.00 174.74 176.44 2ky9 h HIS 129 N 8.24 0.00 -1.60 1.40 2.76 -2.01 -3.50 115.15 120.43 2ky9 h HIS 129 Ca -0.17 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.07 2ky9 h HIS 129 Cb 1.13 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 29.85 2ky9 h HIS 129 CO 0.23 0.45 0.48 -1.58 -1.30 0.00 0.00 177.93 176.21 2ky9 s HIS 130 N -2.16 -0.43 0.00 5.26 2.46 -1.26 -5.06 115.29 114.10 2ky9 s HIS 130 Ca -0.16 0.91 0.00 0.00 0.47 0.00 0.00 55.06 56.28 2ky9 s HIS 130 Cb 0.02 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2ky9 s HIS 130 CO 0.31 -0.30 0.00 -2.39 -2.47 0.00 0.00 174.74 169.89 2ky9 n HIS 131 N 1.46 -1.75 0.00 3.88 1.44 -1.26 -5.29 115.22 113.70 2ky9 n HIS 131 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2ky9 n HIS 131 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 2ky9 n HIS 131 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14