#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky9 s LYS 2 N 0.00 2.26 0.17 0.03 0.00 -1.26 -5.04 119.74 115.90 2ky9 s LYS 2 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 55.97 54.20 2ky9 s LYS 2 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 37.83 35.61 2ky9 s LYS 2 CO 0.00 0.33 1.43 0.08 0.00 0.00 0.00 175.35 177.19 2ky9 s VAL 3 N -2.35 2.98 0.00 1.79 1.01 -1.26 -2.81 120.40 119.76 2ky9 s VAL 3 Ca 0.32 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2ky9 s VAL 3 Cb -0.06 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2ky9 s VAL 3 CO 0.20 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2ky9 n GLY 4 N 3.15 0.54 3.79 4.51 0.00 -0.30 -5.04 105.19 111.85 2ky9 n GLY 4 Ca 0.10 0.00 -0.36 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 -1.98 7.23 -0.32 1.61 0.15 -1.12 -4.84 113.70 114.43 2ky9 s SER 5 Ca 0.00 1.73 -0.17 0.00 0.70 0.00 0.00 55.95 58.22 2ky9 s SER 5 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 2ky9 s SER 5 CO 0.00 -0.09 0.44 -1.10 1.20 0.00 0.00 173.24 173.70 2ky9 s GLN 6 N -2.18 3.72 0.16 5.44 -0.21 -1.26 -1.48 119.66 123.85 2ky9 s GLN 6 Ca 0.50 -0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.84 2ky9 s GLN 6 Cb -0.17 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 2ky9 s GLN 6 CO 0.22 -0.51 -0.22 0.14 -2.12 0.00 0.00 175.29 172.80 2ky9 s VAL 7 N 2.22 2.09 -0.16 1.09 -7.23 -0.26 -3.80 120.40 114.35 2ky9 s VAL 7 Ca 0.16 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 2ky9 s VAL 7 Cb -0.16 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2ky9 s VAL 7 CO 0.12 -0.14 0.13 -0.63 -0.31 0.00 0.00 175.10 174.27 2ky9 s ILE 8 N -1.64 5.43 -0.61 -0.62 -1.09 0.17 -0.06 121.20 122.78 2ky9 s ILE 8 Ca 0.16 0.19 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 2ky9 s ILE 8 Cb -0.08 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2ky9 s ILE 8 CO 0.08 0.52 1.31 -0.63 -1.23 0.00 0.00 174.94 174.99 2ky9 s ILE 9 N -0.29 3.84 0.12 2.92 1.01 -0.39 -0.35 121.20 128.07 2ky9 s ILE 9 Ca 0.11 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.46 2ky9 s ILE 9 Cb -0.11 -4.65 -0.21 0.00 0.01 0.00 0.00 42.46 37.49 2ky9 s ILE 9 CO 0.01 -1.40 1.27 -1.13 0.00 0.00 0.00 174.94 173.69 2ky9 h ASN 10 N 10.35 0.25 -5.32 3.58 -1.24 -1.48 -1.65 115.58 120.06 2ky9 h ASN 10 Ca -0.26 -0.24 -0.13 0.00 0.71 0.00 0.00 56.30 56.38 2ky9 h ASN 10 Cb 1.07 -0.08 -0.14 0.00 0.73 0.00 0.00 38.32 39.91 2ky9 h ASN 10 CO 1.21 1.12 -0.46 0.28 -1.29 0.00 0.00 177.43 178.29 2ky9 s THR 11 N -2.90 0.09 0.23 -3.57 -1.32 -1.00 -4.80 115.64 102.36 2ky9 s THR 11 Ca -0.02 -1.59 -0.19 0.00 -1.21 0.00 0.00 61.69 58.68 2ky9 s THR 11 Cb 0.09 -1.89 0.02 0.00 -1.51 0.00 0.00 72.50 69.21 2ky9 s THR 11 CO 0.84 -0.39 0.60 -0.94 -2.21 0.00 0.00 174.62 172.52 2ky9 s SER 12 N -2.99 -0.27 -0.12 8.08 1.04 -1.26 -4.86 113.70 113.33 2ky9 s SER 12 Ca 0.19 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 2ky9 s SER 12 Cb 0.05 0.64 -0.25 0.00 0.10 0.00 0.00 66.02 66.56 2ky9 s SER 12 CO 0.00 -1.17 0.37 1.41 0.98 0.00 0.00 173.24 174.83 2ky9 n HIS 13 N -0.40 1.06 -3.01 5.02 8.25 -1.26 -4.93 115.22 119.95 2ky9 n HIS 13 Ca -0.07 0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 57.25 2ky9 n HIS 13 Cb 0.61 -1.15 -0.05 0.00 1.12 0.00 0.00 29.99 30.52 2ky9 n HIS 13 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 14 N -2.56 4.46 0.30 -0.41 -1.94 -1.26 -4.99 119.30 112.89 2ky9 s MET 14 Ca -0.19 0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 54.77 2ky9 s MET 14 Cb 0.07 -3.39 0.47 0.00 2.01 0.00 0.00 34.83 33.98 2ky9 s MET 14 CO 0.77 0.20 1.94 -0.22 -0.01 0.00 0.00 175.02 177.70 2ky9 h LYS 15 N 6.08 1.07 0.00 2.03 3.64 -1.98 -2.22 116.57 125.19 2ky9 h LYS 15 Ca -0.43 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2ky9 h LYS 15 Cb 1.20 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2ky9 h LYS 15 CO 0.72 0.71 0.00 0.41 -2.27 0.00 0.00 179.45 179.02 2ky9 n GLY 16 N -1.40 -1.24 0.09 5.01 0.00 -1.26 -3.78 105.19 102.60 2ky9 n GLY 16 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2ky9 n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ky9 n MET 17 N -1.33 0.66 -2.12 1.61 0.00 -0.84 -0.93 117.12 114.17 2ky9 n MET 17 Ca 0.12 0.13 -0.42 0.00 -0.00 0.00 0.00 57.70 57.52 2ky9 n MET 17 Cb 0.24 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 31.76 2ky9 n MET 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2ky9 s LYS 18 N -2.67 4.28 0.00 2.12 -2.85 -1.21 -2.63 119.74 116.78 2ky9 s LYS 18 Ca -0.07 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.03 2ky9 s LYS 18 Cb 0.08 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 2ky9 s LYS 18 CO 0.83 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 176.17 2ky9 n GLY 19 N 3.61 0.95 3.82 0.59 0.00 -0.62 -4.88 105.19 108.67 2ky9 n GLY 19 Ca 0.13 0.00 -0.33 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 -3.80 3.08 -0.51 4.61 0.00 -1.08 -4.80 121.76 119.26 2ky9 s ALA 20 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 2ky9 s ALA 20 Cb 0.00 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 20.05 2ky9 s ALA 20 CO 0.00 0.15 0.74 -2.00 0.00 0.00 0.00 175.76 174.65 2ky9 s GLU 21 N -3.06 3.23 0.64 0.00 2.12 -1.26 -1.27 118.70 119.11 2ky9 s GLU 21 Ca 0.60 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 2ky9 s GLU 21 Cb -0.10 -4.05 0.05 0.00 0.26 0.00 0.00 34.13 30.29 2ky9 s GLU 21 CO 0.14 -1.27 0.92 0.00 -0.54 0.00 0.00 175.26 174.51 2ky9 s ALA 22 N 3.13 3.45 -0.02 6.30 0.00 0.91 -4.18 121.76 131.36 2ky9 s ALA 22 Ca 0.22 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2ky9 s ALA 22 Cb -0.16 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2ky9 s ALA 22 CO 0.16 -1.07 -0.02 0.99 0.00 0.00 0.00 175.76 175.82 2ky9 s THR 23 N -3.05 0.29 -0.50 0.00 2.01 0.05 -1.10 115.64 113.34 2ky9 s THR 23 Ca 0.59 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 2ky9 s THR 23 Cb -0.11 -0.31 -0.00 0.00 0.01 0.00 0.00 72.50 72.09 2ky9 s THR 23 CO 0.42 0.13 1.60 -0.69 -0.69 0.00 0.00 174.62 175.39 2ky9 s VAL 24 N 0.48 3.63 -0.53 3.82 1.01 -0.55 -1.66 120.40 126.61 2ky9 s VAL 24 Ca -0.05 0.56 0.23 0.00 0.00 0.00 0.00 61.98 62.72 2ky9 s VAL 24 Cb -0.08 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2ky9 s VAL 24 CO -0.01 -0.88 1.06 0.35 0.00 0.00 0.00 175.10 175.62 2ky9 n THR 25 N 7.10 0.27 -3.63 3.92 -2.24 -0.16 -1.15 114.28 118.38 2ky9 n THR 25 Ca 0.17 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 2ky9 n THR 25 Cb 0.49 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.81 -0.44 -0.07 3.38 0.00 -0.65 -4.95 107.32 100.78 2ky9 s GLY 26 Ca 0.03 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2ky9 s GLY 26 CO 0.79 0.96 -0.06 0.00 0.00 0.00 0.00 173.10 174.79 2ky9 s ALA 27 N -0.66 0.97 -0.06 3.20 0.00 -1.26 -1.57 121.76 122.38 2ky9 s ALA 27 Ca -0.07 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2ky9 s ALA 27 Cb -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2ky9 s ALA 27 CO 0.05 -0.18 -0.13 0.71 0.00 0.00 0.00 175.76 176.22 2ky9 s TYR 28 N 1.27 1.48 -0.97 0.00 1.51 -0.22 -5.01 117.35 115.42 2ky9 s TYR 28 Ca -0.05 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.45 2ky9 s TYR 28 Cb -0.14 -1.07 0.24 0.00 -0.11 0.00 0.00 41.96 40.88 2ky9 s TYR 28 CO -0.02 -0.26 0.91 -0.40 -1.11 0.00 0.00 175.55 174.66 2ky9 n ASP 29 N 3.73 4.67 -4.25 2.29 5.75 -1.26 -1.35 116.55 126.13 2ky9 n ASP 29 Ca -0.22 -3.12 -0.14 0.00 -0.01 0.00 0.00 54.79 51.30 2ky9 n ASP 29 Cb 0.52 -1.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.36 2ky9 n ASP 29 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2ky9 s THR 30 N -1.44 0.88 -0.04 2.12 -1.32 -1.26 -5.09 115.64 109.49 2ky9 s THR 30 Ca 0.29 -2.01 -0.30 0.00 -1.21 0.00 0.00 61.69 58.47 2ky9 s THR 30 Cb -0.07 -2.01 -0.06 0.00 -1.51 0.00 0.00 72.50 68.85 2ky9 s THR 30 CO -0.10 -0.59 1.71 -0.89 -2.21 0.00 0.00 174.62 172.53 2ky9 s THR 31 N -3.52 3.49 0.15 5.08 2.01 -1.26 -4.30 115.64 117.29 2ky9 s THR 31 Ca 0.21 0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.86 2ky9 s THR 31 Cb 0.05 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2ky9 s THR 31 CO 0.02 -0.06 0.02 0.00 -0.69 0.00 0.00 174.62 173.92 2ky9 s ALA 32 N 4.13 3.29 0.04 7.40 0.00 -0.27 -0.80 121.76 135.55 2ky9 s ALA 32 Ca 0.76 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2ky9 s ALA 32 Cb -0.35 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2ky9 s ALA 32 CO 0.31 0.54 -0.10 0.71 0.00 0.00 0.00 175.76 177.23 2ky9 s TYR 33 N -1.62 0.83 -0.33 0.00 2.02 0.54 -1.17 117.35 117.62 2ky9 s TYR 33 Ca 0.28 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 2ky9 s TYR 33 Cb -0.10 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 2ky9 s TYR 33 CO 0.19 -0.03 0.19 0.08 -1.57 0.00 0.00 175.55 174.41 2ky9 s VAL 34 N -1.04 4.82 0.18 0.71 1.01 -0.82 -2.71 120.40 122.55 2ky9 s VAL 34 Ca -0.04 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2ky9 s VAL 34 Cb -0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2ky9 s VAL 34 CO 0.01 0.01 -0.21 0.68 0.00 0.00 0.00 175.10 175.58 2ky9 s VAL 35 N 1.64 2.13 -0.14 2.92 -7.23 -0.88 -0.47 120.40 118.37 2ky9 s VAL 35 Ca 0.05 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2ky9 s VAL 35 Cb -0.17 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2ky9 s VAL 35 CO 0.08 -0.21 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.52 2ky9 s SER 36 N -2.69 2.96 0.04 4.85 1.04 -0.46 -0.69 113.70 118.75 2ky9 s SER 36 Ca 0.19 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2ky9 s SER 36 Cb -0.07 -1.37 -0.02 0.00 0.10 0.00 0.00 66.02 64.67 2ky9 s SER 36 CO 0.09 0.06 0.06 -0.72 0.98 0.00 0.00 173.24 173.70 2ky9 s TYR 37 N 0.91 0.25 -0.42 5.02 1.13 -0.32 -0.68 117.35 123.24 2ky9 s TYR 37 Ca -0.06 -0.57 -0.13 0.00 -1.41 0.00 0.00 57.07 54.90 2ky9 s TYR 37 Cb -0.15 -0.18 0.05 0.00 -1.10 0.00 0.00 41.96 40.58 2ky9 s TYR 37 CO -0.03 -0.34 0.29 0.99 -2.51 0.00 0.00 175.55 173.96 2ky9 s THR 38 N -2.56 4.81 0.26 -3.49 2.01 -1.24 -0.82 115.64 114.59 2ky9 s THR 38 Ca -0.05 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.61 2ky9 s THR 38 Cb -0.02 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2ky9 s THR 38 CO -0.05 -0.43 1.56 -2.16 -0.69 0.00 0.00 174.62 172.86 2ky9 s PRO 39 N 1.57 4.17 0.00 4.92 0.04 -1.26 -4.36 135.00 140.08 2ky9 s PRO 39 Ca 0.03 2.48 0.14 0.00 0.04 0.00 0.00 61.00 63.69 2ky9 s PRO 39 Cb -0.22 -3.07 0.76 0.00 0.04 0.00 0.00 34.50 32.02 2ky9 s PRO 39 CO 0.06 -0.58 1.28 0.25 0.04 0.00 0.00 177.00 178.05 2ky9 n THR 40 N 2.64 0.26 0.30 1.26 -2.24 -0.71 -1.19 114.28 114.61 2ky9 n THR 40 Ca 0.09 0.06 0.18 0.00 -2.27 0.00 0.00 64.05 62.12 2ky9 n THR 40 Cb 0.38 -0.85 0.93 0.00 -2.10 0.00 0.00 70.33 68.69 2ky9 n THR 40 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2ky9 h ASN 41 N 0.00 0.00 0.00 3.42 -1.24 -1.81 -3.47 115.58 112.48 2ky9 h ASN 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2ky9 h ASN 41 Cb 0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2ky9 h ASN 41 CO 0.00 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 2ky9 n GLY 42 N -0.66 0.50 0.00 1.57 0.00 -0.33 -5.05 105.19 101.21 2ky9 n GLY 42 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.05 0.92 3.61 -0.02 0.00 -1.26 -5.08 105.19 102.31 2ky9 n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ky9 s GLN 44 N 1.08 2.76 0.08 1.61 -0.21 -1.26 -5.05 119.66 118.66 2ky9 s GLN 44 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 55.36 54.51 2ky9 s GLN 44 Cb 0.00 -2.62 -0.09 0.00 1.00 0.00 0.00 33.01 31.30 2ky9 s GLN 44 CO 0.00 0.66 1.74 0.50 -2.12 0.00 0.00 175.29 176.06 2ky9 s ARG 45 N -1.02 4.17 -0.37 2.91 3.52 -1.26 -4.53 118.95 122.37 2ky9 s ARG 45 Ca 0.14 2.43 -0.21 0.00 -0.13 0.00 0.00 55.73 57.97 2ky9 s ARG 45 Cb -0.11 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 2ky9 s ARG 45 CO 0.04 -0.79 0.67 0.08 -0.81 0.00 0.00 175.30 174.48 2ky9 s VAL 46 N 2.90 4.85 0.11 7.11 1.01 -0.00 -4.97 120.40 131.41 2ky9 s VAL 46 Ca 0.77 0.58 0.04 0.00 0.00 0.00 0.00 61.98 63.37 2ky9 s VAL 46 Cb -0.42 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 2ky9 s VAL 46 CO 0.34 -0.38 0.09 1.51 0.00 0.00 0.00 175.10 176.66 2ky9 s ASP 47 N 1.83 5.46 -1.42 3.32 -4.77 -1.26 -1.18 116.67 118.66 2ky9 s ASP 47 Ca 0.26 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.44 2ky9 s ASP 47 Cb -0.14 -1.43 0.00 0.00 -1.09 0.00 0.00 42.92 40.25 2ky9 s ASP 47 CO 0.16 0.14 0.00 1.41 0.70 0.00 0.00 175.17 177.58 2ky9 n HIS 48 N 0.22 -1.21 -2.27 2.11 8.25 -1.08 -4.92 115.22 116.32 2ky9 n HIS 48 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 2ky9 n HIS 48 Cb 0.53 -3.36 -0.02 0.00 1.12 0.00 0.00 29.99 28.25 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 -2.83 2.49 0.04 4.41 2.46 0.13 -4.73 115.29 117.26 2ky9 s HIS 49 Ca 0.00 0.71 0.03 0.00 0.47 0.00 0.00 55.06 56.27 2ky9 s HIS 49 Cb 0.00 -3.73 -0.02 0.00 -0.13 0.00 0.00 32.58 28.70 2ky9 s HIS 49 CO 0.00 -2.46 -0.11 -1.59 -2.47 0.00 0.00 174.74 168.12 2ky9 s LYS 50 N 3.89 0.70 0.14 2.88 -2.85 -1.26 -2.08 119.74 121.15 2ky9 s LYS 50 Ca 0.62 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.97 2ky9 s LYS 50 Cb -0.25 -0.63 -0.04 0.00 -2.06 0.00 0.00 37.83 34.86 2ky9 s LYS 50 CO 0.22 0.15 -0.02 -1.58 0.10 0.00 0.00 175.35 174.21 2ky9 s TRP 51 N -0.97 2.85 -0.03 1.78 0.52 -0.86 -4.85 118.94 117.39 2ky9 s TRP 51 Ca -0.03 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.02 2ky9 s TRP 51 Cb -0.08 -1.43 -0.00 0.00 -1.15 0.00 0.00 33.47 30.81 2ky9 s TRP 51 CO 0.01 0.49 -0.15 0.14 0.02 0.00 0.00 176.95 177.46 2ky9 s VAL 52 N -1.51 1.21 0.36 4.03 -7.23 -1.10 -3.41 120.40 112.74 2ky9 s VAL 52 Ca 0.26 -0.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.89 2ky9 s VAL 52 Cb -0.10 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2ky9 s VAL 52 CO 0.17 0.35 0.45 0.27 -0.31 0.00 0.00 175.10 176.04 2ky9 s ILE 53 N -0.00 3.69 0.43 -0.62 -4.36 -1.26 -0.34 121.20 118.74 2ky9 s ILE 53 Ca -0.02 -1.09 0.13 0.00 -0.26 0.00 0.00 60.65 59.42 2ky9 s ILE 53 Cb -0.10 -3.27 0.32 0.00 1.25 0.00 0.00 42.46 40.66 2ky9 s ILE 53 CO 0.01 -0.12 1.99 -0.61 0.24 0.00 0.00 174.94 176.45 2ky9 h GLN 54 N 0.92 0.42 0.00 0.37 -0.00 -1.32 -1.40 115.11 114.10 2ky9 h GLN 54 Ca -0.44 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.17 2ky9 h GLN 54 Cb 1.26 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.64 2ky9 h GLN 54 CO 0.53 0.28 -0.07 0.93 0.00 0.00 0.00 178.83 180.49 2ky9 h GLU 55 N 0.43 0.00 0.08 1.69 4.39 -1.95 -3.25 114.58 115.97 2ky9 h GLU 55 Ca 0.26 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.68 2ky9 h GLU 55 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2ky9 h GLU 55 CO -0.07 0.07 -1.38 1.49 -1.16 0.00 0.00 179.01 177.96 2ky9 h GLU 56 N 0.00 0.18 -6.10 2.33 4.22 -1.64 -3.47 114.58 110.10 2ky9 h GLU 56 Ca -0.00 -0.30 -0.56 0.00 0.08 0.00 0.00 59.36 58.58 2ky9 h GLU 56 Cb 0.65 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2ky9 h GLU 56 CO 0.01 1.05 0.07 0.42 -2.18 0.00 0.00 179.01 178.38 2ky9 s ILE 57 N -2.64 4.95 0.19 2.32 1.01 -1.14 -2.38 121.20 123.50 2ky9 s ILE 57 Ca -0.05 1.43 -0.12 0.00 0.00 0.00 0.00 60.65 61.90 2ky9 s ILE 57 Cb 0.08 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.62 2ky9 s ILE 57 CO 0.85 0.32 1.84 0.50 0.00 0.00 0.00 174.94 178.45 2ky9 h LYS 58 N 6.25 0.83 0.00 2.79 3.64 -1.44 -2.95 116.57 125.69 2ky9 h LYS 58 Ca -0.43 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2ky9 h LYS 58 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2ky9 h LYS 58 CO 0.73 0.57 0.00 -3.47 -2.27 0.00 0.00 179.45 175.01 2ky9 n ASP 59 N -4.63 0.00 -0.09 4.20 2.03 -1.26 -4.44 116.55 112.37 2ky9 n ASP 59 Ca 0.05 0.23 -0.02 0.00 0.52 0.00 0.00 54.79 55.57 2ky9 n ASP 59 Cb 0.04 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 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 -1.38 -0.13 -1.94 -1.67 0.00 -1.12 -4.86 120.51 109.41 2ky9 n ALA 60 Ca 0.07 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 2ky9 n ALA 60 Cb 0.18 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.05 0.53 2.84 0.00 0.00 -1.26 -2.14 105.19 104.11 2ky9 n GLY 61 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.85 -5.04 -4.80 1.61 9.92 -1.26 -5.00 116.55 111.13 2ky9 n ASP 62 Ca -0.18 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.86 2ky9 n ASP 62 Cb 0.59 -2.80 -0.05 0.00 -0.64 0.00 0.00 41.12 38.22 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ky9 s LYS 63 N -1.52 2.45 -0.27 -1.24 -2.85 -0.91 -5.11 119.74 110.29 2ky9 s LYS 63 Ca 0.00 -1.56 -0.18 0.00 -1.00 0.00 0.00 55.97 53.23 2ky9 s LYS 63 Cb 0.00 -2.25 -0.02 0.00 -2.06 0.00 0.00 37.83 33.50 2ky9 s LYS 63 CO 0.00 -0.03 0.54 0.99 0.10 0.00 0.00 175.35 176.95 2ky9 s THR 64 N -2.45 5.04 -0.04 3.79 2.01 -1.26 -4.92 115.64 117.81 2ky9 s THR 64 Ca 0.42 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2ky9 s THR 64 Cb -0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2ky9 s THR 64 CO 0.25 0.04 1.01 -0.76 -0.69 0.00 0.00 174.62 174.47 2ky9 s LEU 65 N 2.37 4.32 0.32 4.42 1.43 -1.26 -5.05 118.68 125.21 2ky9 s LEU 65 Ca 0.22 1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 54.86 2ky9 s LEU 65 Cb -0.16 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 2ky9 s LEU 65 CO 0.09 -0.36 0.64 -1.10 0.23 0.00 0.00 176.35 175.86 2ky9 s GLN 66 N 1.47 3.74 -0.22 1.70 -1.52 -1.26 -4.68 119.66 118.90 2ky9 s GLN 66 Ca 0.51 0.27 -0.35 0.00 -1.95 0.00 0.00 55.36 53.84 2ky9 s GLN 66 Cb -0.20 -2.55 -0.11 0.00 -0.22 0.00 0.00 33.01 29.93 2ky9 s GLN 66 CO 0.24 0.15 2.01 -2.30 -0.25 0.00 0.00 175.29 175.14 2ky9 n PRO 67 N -0.85 1.63 0.00 2.91 -0.02 -1.26 -1.84 135.00 135.57 2ky9 n PRO 67 Ca 0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2ky9 n PRO 67 Cb 0.54 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 5.29 2.44 3.72 -1.23 0.00 0.37 -5.01 105.19 110.76 2ky9 n GLY 68 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.78 6.47 -0.25 1.61 1.11 -0.77 -4.66 116.67 118.40 2ky9 s ASP 69 Ca 0.00 2.77 -0.19 0.00 0.18 0.00 0.00 52.55 55.31 2ky9 s ASP 69 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 2ky9 s ASP 69 CO 0.00 -0.90 0.58 -1.58 1.18 0.00 0.00 175.17 174.45 2ky9 s GLN 70 N 0.90 4.10 0.32 8.23 2.00 -1.26 -1.98 119.66 131.98 2ky9 s GLN 70 Ca 0.71 0.45 0.03 0.00 -2.00 0.00 0.00 55.36 54.56 2ky9 s GLN 70 Cb -0.47 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.66 2ky9 s GLN 70 CO 0.34 -0.36 0.15 0.14 -0.50 0.00 0.00 175.29 175.06 2ky9 s VAL 71 N 2.34 0.43 0.01 1.34 -7.23 -0.14 -5.01 120.40 112.14 2ky9 s VAL 71 Ca 0.24 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 2ky9 s VAL 71 Cb -0.16 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2ky9 s VAL 71 CO 0.09 0.00 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.00 2ky9 s ILE 72 N -3.52 1.96 -0.16 -0.62 -1.09 -1.26 -1.30 121.20 115.20 2ky9 s ILE 72 Ca 0.34 -1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 57.46 2ky9 s ILE 72 Cb 0.05 -1.65 -0.05 0.00 -1.58 0.00 0.00 42.46 39.23 2ky9 s ILE 72 CO 0.17 0.45 0.26 -0.76 -1.23 0.00 0.00 174.94 173.83 2ky9 s LEU 73 N -0.85 4.25 0.00 2.97 1.43 -1.24 -1.08 118.68 124.16 2ky9 s LEU 73 Ca 0.10 0.47 0.22 0.00 -1.03 0.00 0.00 54.13 53.89 2ky9 s LEU 73 Cb -0.09 -2.31 0.60 0.00 0.03 0.00 0.00 46.19 44.41 2ky9 s LEU 73 CO 0.00 0.14 1.51 -0.62 0.23 0.00 0.00 176.35 177.61 2ky9 n GLU 74 N 3.40 2.71 -4.45 1.70 1.02 -1.00 -1.37 120.64 122.65 2ky9 n GLU 74 Ca -0.13 -2.59 -0.22 0.00 -0.02 0.00 0.00 57.16 54.20 2ky9 n GLU 74 Cb 0.52 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ky9 s ALA 75 N -1.05 2.43 -0.04 0.62 0.00 -1.26 -4.98 121.76 117.48 2ky9 s ALA 75 Ca 0.46 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 2ky9 s ALA 75 Cb 0.24 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.64 2ky9 s ALA 75 CO 0.32 -0.10 0.04 0.45 0.00 0.00 0.00 175.76 176.47 2ky9 s SER 76 N -3.47 0.81 0.00 0.00 0.15 -1.26 -2.76 113.70 107.16 2ky9 s SER 76 Ca 0.31 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.24 2ky9 s SER 76 Cb 0.05 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2ky9 s SER 76 CO 0.13 -0.20 1.11 1.41 1.20 0.00 0.00 173.24 176.89 2ky9 n HIS 77 N 4.89 0.00 -3.57 3.44 8.25 -1.26 -4.96 115.22 122.02 2ky9 n HIS 77 Ca -0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 2ky9 n HIS 77 Cb 0.50 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.54 0.97 -0.08 -0.41 0.23 -1.26 -5.11 119.30 111.10 2ky9 s MET 78 Ca 0.18 0.41 -0.35 0.00 -1.03 0.00 0.00 55.69 54.89 2ky9 s MET 78 Cb 0.18 0.46 -0.13 0.00 -1.53 0.00 0.00 34.83 33.81 2ky9 s MET 78 CO 0.60 -0.26 1.80 1.63 -2.03 0.00 0.00 175.02 176.76 2ky9 n LYS 79 N 1.39 1.98 0.00 3.16 5.02 -1.26 -1.65 118.16 126.80 2ky9 n LYS 79 Ca -0.18 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2ky9 n LYS 79 Cb 0.56 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2ky9 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ky9 n GLY 80 N 4.18 2.05 0.16 0.72 0.00 -1.26 -4.05 105.19 106.99 2ky9 n GLY 80 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 2.92 0.47 -6.26 1.61 -1.53 -1.63 -1.88 114.93 108.63 2ky9 h MET 81 Ca 0.00 -0.10 -0.55 0.00 -3.44 0.00 0.00 59.70 55.61 2ky9 h MET 81 Cb 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 30.97 2ky9 h MET 81 CO 0.00 0.52 1.11 0.21 0.14 0.00 0.00 176.91 178.88 2ky9 s LYS 82 N -5.40 4.06 0.00 0.39 2.20 -1.11 -1.93 119.74 117.94 2ky9 s LYS 82 Ca -0.13 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2ky9 s LYS 82 Cb 0.09 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2ky9 s LYS 82 CO 0.74 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2ky9 n GLY 83 N 4.29 0.75 3.79 5.54 0.00 -0.47 -4.94 105.19 114.15 2ky9 n GLY 83 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2ky9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 84 N -2.70 3.18 -0.37 4.61 0.00 -0.81 -4.93 121.76 120.75 2ky9 s ALA 84 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2ky9 s ALA 84 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.98 2ky9 s ALA 84 CO 0.00 0.17 1.08 0.99 0.00 0.00 0.00 175.76 178.00 2ky9 s THR 85 N -1.74 4.43 0.01 0.00 2.01 -1.26 -3.62 115.64 115.48 2ky9 s THR 85 Ca 0.53 1.56 0.02 0.00 0.31 0.00 0.00 61.69 64.10 2ky9 s THR 85 Cb -0.16 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2ky9 s THR 85 CO 0.21 -0.63 0.01 0.00 -0.69 0.00 0.00 174.62 173.53 2ky9 s ALA 86 N 3.86 3.33 -0.18 7.40 0.00 -0.42 -3.73 121.76 132.00 2ky9 s ALA 86 Ca 0.46 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2ky9 s ALA 86 Cb -0.11 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.69 2ky9 s ALA 86 CO 0.20 0.66 -0.14 -2.00 0.00 0.00 0.00 175.76 174.49 2ky9 s GLU 87 N -1.70 2.33 -0.11 0.00 2.12 0.14 -0.96 118.70 120.52 2ky9 s GLU 87 Ca 0.21 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 2ky9 s GLU 87 Cb -0.12 -2.39 -0.06 0.00 0.26 0.00 0.00 34.13 31.83 2ky9 s GLU 87 CO 0.12 -0.33 2.02 0.42 -0.54 0.00 0.00 175.26 176.95 2ky9 s ILE 88 N 1.38 3.11 0.01 -3.70 -1.09 -0.84 -1.35 121.20 118.73 2ky9 s ILE 88 Ca 0.01 0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.51 2ky9 s ILE 88 Cb -0.15 -3.11 -0.29 0.00 -1.58 0.00 0.00 42.46 37.33 2ky9 s ILE 88 CO -0.10 -0.05 0.89 0.44 -1.23 0.00 0.00 174.94 174.90 2ky9 h ASP 89 N 12.52 0.46 -5.00 3.58 3.32 -1.11 0.11 116.42 130.30 2ky9 h ASP 89 Ca -0.44 -0.60 -0.07 0.00 0.02 0.00 0.00 57.03 55.94 2ky9 h ASP 89 Cb 1.23 -0.15 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 2ky9 h ASP 89 CO 0.96 1.50 0.09 -0.55 -1.72 0.00 0.00 179.24 179.52 2ky9 s SER 90 N -7.10 -0.56 -0.10 6.45 0.15 -0.93 -4.78 113.70 106.84 2ky9 s SER 90 Ca -0.09 0.54 0.03 0.00 0.70 0.00 0.00 55.95 57.13 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 0.87 -0.60 -0.20 0.00 1.20 0.00 0.00 173.24 174.51 2ky9 s ALA 91 N -1.39 2.34 -0.11 5.45 0.00 -1.26 -1.95 121.76 124.84 2ky9 s ALA 91 Ca -0.11 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2ky9 s ALA 91 Cb -0.01 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.24 2ky9 s ALA 91 CO 0.07 0.32 0.25 -2.00 0.00 0.00 0.00 175.76 174.40 2ky9 s GLU 92 N 0.18 0.20 -0.76 0.00 2.56 -0.32 -5.04 118.70 115.53 2ky9 s GLU 92 Ca -0.12 0.56 -0.19 0.00 0.00 0.00 0.00 54.97 55.22 2ky9 s GLU 92 Cb -0.16 -0.11 0.12 0.00 2.00 0.00 0.00 34.13 35.97 2ky9 s GLU 92 CO 0.06 -0.18 0.93 0.15 -0.56 0.00 0.00 175.26 175.67 2ky9 s LYS 93 N 1.39 3.32 0.06 4.30 3.01 -1.26 -1.11 119.74 129.45 2ky9 s LYS 93 Ca -0.08 -1.47 0.01 0.00 -1.01 0.00 0.00 55.97 53.42 2ky9 s LYS 93 Cb -0.11 -4.51 -0.03 0.00 -1.01 0.00 0.00 37.83 32.17 2ky9 s LYS 93 CO -0.09 -1.67 -0.06 -0.08 0.51 0.00 0.00 175.35 173.96 2ky9 s THR 94 N 2.79 0.51 -0.23 2.17 -1.32 -1.26 -5.02 115.64 113.29 2ky9 s THR 94 Ca 0.23 -1.51 -0.28 0.00 -1.21 0.00 0.00 61.69 58.92 2ky9 s THR 94 Cb -0.14 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2ky9 s THR 94 CO -0.00 -0.68 1.00 -0.89 -2.21 0.00 0.00 174.62 171.84 2ky9 s THR 95 N -2.64 4.71 -0.16 5.08 2.01 -1.26 -4.41 115.64 118.97 2ky9 s THR 95 Ca 0.01 1.94 -0.06 0.00 0.31 0.00 0.00 61.69 63.89 2ky9 s THR 95 Cb -0.01 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2ky9 s THR 95 CO -0.03 -0.16 0.04 0.68 -0.69 0.00 0.00 174.62 174.46 2ky9 s VAL 96 N 3.13 4.65 -0.11 3.82 -7.23 -0.46 -3.87 120.40 120.34 2ky9 s VAL 96 Ca 0.42 -0.09 -0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2ky9 s VAL 96 Cb -0.15 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 2ky9 s VAL 96 CO 0.06 0.50 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.98 2ky9 s TYR 97 N 0.04 2.95 -0.25 2.82 2.02 0.13 -1.05 117.35 124.01 2ky9 s TYR 97 Ca 0.05 -0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 2ky9 s TYR 97 Cb -0.12 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 2ky9 s TYR 97 CO 0.01 0.12 0.43 1.41 -1.57 0.00 0.00 175.55 175.96 2ky9 s MET 98 N -0.23 4.07 0.35 -0.62 -2.45 -0.61 -3.59 119.30 116.22 2ky9 s MET 98 Ca 0.03 0.18 0.05 0.00 -1.25 0.00 0.00 55.69 54.71 2ky9 s MET 98 Cb -0.13 -3.63 -0.07 0.00 1.25 0.00 0.00 34.83 32.25 2ky9 s MET 98 CO 0.03 -0.26 0.03 0.14 1.05 0.00 0.00 175.02 176.00 2ky9 s VAL 99 N 2.02 1.53 -0.02 10.11 -7.23 -0.76 -0.99 120.40 125.06 2ky9 s VAL 99 Ca 0.18 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2ky9 s VAL 99 Cb -0.16 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 33.95 2ky9 s VAL 99 CO 0.09 -0.02 -0.02 1.51 -0.31 0.00 0.00 175.10 176.35 2ky9 s ASP 100 N -3.57 0.49 0.32 4.85 -4.77 -0.67 -0.64 116.67 112.69 2ky9 s ASP 100 Ca 0.36 -0.05 0.02 0.00 -3.30 0.00 0.00 52.55 49.57 2ky9 s ASP 100 Cb 0.09 -0.20 -0.02 0.00 -1.09 0.00 0.00 42.92 41.70 2ky9 s ASP 100 CO 0.16 -0.05 0.34 -0.72 0.70 0.00 0.00 175.17 175.61 2ky9 s TYR 101 N 0.64 1.39 -0.19 2.11 1.13 -0.39 -0.77 117.35 121.28 2ky9 s TYR 101 Ca -0.07 -1.47 0.01 0.00 -1.41 0.00 0.00 57.07 54.14 2ky9 s TYR 101 Cb -0.10 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.35 2ky9 s TYR 101 CO -0.01 -0.95 -0.19 0.99 -2.51 0.00 0.00 175.55 172.88 2ky9 s THR 102 N -3.40 2.08 0.28 -3.49 2.01 -1.26 -1.06 115.64 110.80 2ky9 s THR 102 Ca 0.36 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 2ky9 s THR 102 Cb 0.02 -1.90 -0.11 0.00 0.01 0.00 0.00 72.50 70.52 2ky9 s THR 102 CO 0.23 0.49 1.58 -0.44 -0.69 0.00 0.00 174.62 175.79 2ky9 s SER 103 N 1.28 6.41 0.06 3.53 0.01 -0.30 -4.63 113.70 120.06 2ky9 s SER 103 Ca 0.04 2.90 -0.21 0.00 1.31 0.00 0.00 55.95 59.99 2ky9 s SER 103 Cb -0.14 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.34 2ky9 s SER 103 CO -0.12 -0.89 1.53 0.71 0.41 0.00 0.00 173.24 174.88 2ky9 h THR 104 N 3.45 1.22 0.02 1.44 1.35 -1.37 -0.54 112.91 118.47 2ky9 h THR 104 Ca -0.47 -0.70 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2ky9 h THR 104 Cb 1.22 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2ky9 h THR 104 CO 0.80 0.21 -0.01 0.71 -0.25 0.00 0.00 175.52 176.98 2ky9 h THR 105 N 0.01 1.50 -0.01 6.82 1.35 -1.88 -3.36 112.91 117.34 2ky9 h THR 105 Ca 0.04 -1.76 -0.20 0.00 -0.55 0.00 0.00 66.41 63.95 2ky9 h THR 105 Cb 0.30 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 2ky9 h THR 105 CO 0.00 0.44 -0.85 0.28 -0.25 0.00 0.00 175.52 175.14 2ky9 h SER 106 N -0.81 0.33 -0.06 5.36 0.02 -1.90 -3.48 113.55 113.02 2ky9 h SER 106 Ca -0.00 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2ky9 h SER 106 Cb 0.74 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2ky9 h SER 106 CO 0.00 1.04 -0.02 0.61 -1.14 0.00 0.00 176.83 177.32 2ky9 n GLY 107 N 0.80 0.45 3.87 -3.77 0.00 -0.21 -5.02 105.19 101.30 2ky9 n GLY 107 Ca -0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.03 3.43 -0.34 1.61 2.56 -1.25 -4.79 118.70 118.88 2ky9 s GLU 108 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 54.97 54.55 2ky9 s GLU 108 Cb 0.00 -3.18 0.02 0.00 2.00 0.00 0.00 34.13 32.97 2ky9 s GLU 108 CO 0.00 0.78 1.04 -1.59 -0.56 0.00 0.00 175.26 174.92 2ky9 s LYS 109 N -1.04 3.99 -0.24 4.30 -2.85 -1.26 -1.15 119.74 121.49 2ky9 s LYS 109 Ca 0.15 0.92 -0.08 0.00 -1.00 0.00 0.00 55.97 55.96 2ky9 s LYS 109 Cb -0.12 -3.76 -0.03 0.00 -2.06 0.00 0.00 37.83 31.85 2ky9 s LYS 109 CO 0.04 -0.94 0.08 0.08 0.10 0.00 0.00 175.35 174.72 2ky9 s VAL 110 N 3.65 4.54 0.27 1.79 1.01 -0.22 -5.00 120.40 126.44 2ky9 s VAL 110 Ca 0.44 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.41 2ky9 s VAL 110 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2ky9 s VAL 110 CO 0.17 0.36 0.05 -1.59 0.00 0.00 0.00 175.10 174.08 2ky9 s LYS 111 N 1.34 2.40 -1.52 2.72 -2.85 -1.26 -1.26 119.74 119.30 2ky9 s LYS 111 Ca 0.05 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 53.64 2ky9 s LYS 111 Cb -0.15 -2.22 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 2ky9 s LYS 111 CO 0.04 0.34 0.00 0.09 0.10 0.00 0.00 175.35 175.92 2ky9 n ASN 112 N -0.97 -5.03 -4.76 0.03 4.13 -0.98 -4.94 115.26 102.73 2ky9 n ASN 112 Ca -0.06 0.11 -0.41 0.00 1.68 0.00 0.00 54.58 55.90 2ky9 n ASN 112 Cb 0.59 -4.25 -0.02 0.00 -1.54 0.00 0.00 39.78 34.56 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2ky9 s HIS 113 N -2.82 2.93 -0.06 3.10 2.46 0.19 -4.75 115.29 116.34 2ky9 s HIS 113 Ca 0.00 1.18 -0.23 0.00 0.47 0.00 0.00 55.06 56.47 2ky9 s HIS 113 Cb 0.00 -3.82 0.05 0.00 -0.13 0.00 0.00 32.58 28.68 2ky9 s HIS 113 CO 0.00 -2.49 0.53 -1.59 -2.47 0.00 0.00 174.74 168.72 2ky9 s LYS 114 N -1.21 0.86 0.01 2.88 -2.85 -1.26 -1.83 119.74 116.34 2ky9 s LYS 114 Ca 0.55 0.18 0.04 0.00 -1.00 0.00 0.00 55.97 55.74 2ky9 s LYS 114 Cb -0.42 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 2ky9 s LYS 114 CO 0.51 -0.24 -0.09 -1.58 0.10 0.00 0.00 175.35 174.05 2ky9 s TRP 115 N -1.01 2.81 0.08 1.78 0.52 -1.22 -4.95 118.94 116.95 2ky9 s TRP 115 Ca -0.10 -0.09 0.03 0.00 0.02 0.00 0.00 56.10 55.96 2ky9 s TRP 115 Cb -0.02 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 2ky9 s TRP 115 CO 0.06 0.34 -0.09 0.14 0.02 0.00 0.00 176.95 177.42 2ky9 s VAL 116 N -0.98 0.84 0.51 4.03 -7.23 -1.24 -2.03 120.40 114.30 2ky9 s VAL 116 Ca 0.17 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2ky9 s VAL 116 Cb -0.11 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 2ky9 s VAL 116 CO 0.07 -0.53 0.10 0.42 -0.31 0.00 0.00 175.10 174.85 2ky9 s THR 117 N -2.27 1.36 -0.43 5.32 -4.23 -1.26 -0.69 115.64 113.44 2ky9 s THR 117 Ca 0.02 -1.87 0.21 0.00 -1.18 0.00 0.00 61.69 58.88 2ky9 s THR 117 Cb -0.04 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.79 2ky9 s THR 117 CO -0.00 0.00 1.65 1.21 -0.54 0.00 0.00 174.62 176.94 2ky9 n GLU 118 N -1.37 0.16 0.05 3.99 2.13 -1.25 -1.72 120.64 122.62 2ky9 n GLU 118 Ca -0.14 0.49 -0.10 0.00 0.66 0.00 0.00 57.16 58.07 2ky9 n GLU 118 Cb 0.66 -1.87 0.02 0.00 0.27 0.00 0.00 31.44 30.52 2ky9 n GLU 118 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2ky9 h ASP 119 N 0.00 0.52 0.12 4.31 3.58 -1.95 -3.18 116.42 119.81 2ky9 h ASP 119 Ca 0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2ky9 h ASP 119 Cb 0.22 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2ky9 h ASP 119 CO 0.00 1.09 -0.38 -0.62 -2.88 0.00 0.00 179.24 176.45 2ky9 n GLU 120 N -3.84 0.98 -4.40 0.28 4.71 -0.85 -4.91 120.64 112.61 2ky9 n GLU 120 Ca -0.05 -0.70 -0.34 0.00 -0.01 0.00 0.00 57.16 56.06 2ky9 n GLU 120 Cb 0.71 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.55 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ky9 s LEU 121 N -2.51 3.38 0.18 -4.62 1.43 -0.70 -1.21 118.68 114.63 2ky9 s LEU 121 Ca 0.21 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2ky9 s LEU 121 Cb 0.19 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2ky9 s LEU 121 CO 0.55 0.26 0.27 -0.55 0.23 0.00 0.00 176.35 177.11 2ky9 s SER 122 N -0.18 6.11 0.27 2.29 0.15 0.53 -4.78 113.70 118.09 2ky9 s SER 122 Ca 0.04 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.82 2ky9 s SER 122 Cb -0.13 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 2ky9 s SER 122 CO 0.02 0.01 0.16 0.00 1.20 0.00 0.00 173.24 174.64 2ky9 s ALA 123 N -1.84 3.52 0.25 5.45 0.00 -1.26 -0.65 121.76 127.22 2ky9 s ALA 123 Ca 0.34 -1.51 0.09 0.00 0.00 0.00 0.00 51.96 50.87 2ky9 s ALA 123 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2ky9 s ALA 123 CO 0.27 0.22 0.03 0.21 0.00 0.00 0.00 175.76 176.49 2ky9 s LYS 124 N -3.82 2.40 -0.03 0.00 2.47 -1.25 -4.54 119.74 114.97 2ky9 s LYS 124 Ca 0.34 -1.33 0.00 0.00 -1.56 0.00 0.00 55.97 53.42 2ky9 s LYS 124 Cb -0.07 -2.24 0.00 0.00 -1.46 0.00 0.00 37.83 34.05 2ky9 s LYS 124 CO 0.24 0.38 0.00 1.28 0.16 0.00 0.00 175.35 177.41 2ky9 n LEU 125 N -0.84 0.47 -4.91 5.43 4.32 -1.26 -5.03 117.00 115.17 2ky9 n LEU 125 Ca -0.07 0.01 -0.28 0.00 -0.02 0.00 0.00 56.01 55.65 2ky9 n LEU 125 Cb 0.58 -1.51 0.08 0.00 -1.62 0.00 0.00 43.42 40.95 2ky9 n LEU 125 CO 0.41 -0.50 0.70 -1.83 -1.22 0.00 0.00 177.39 174.95 2ky9 s GLU 126 N -1.05 2.17 0.00 3.23 -1.05 -1.26 -5.04 118.70 115.69 2ky9 s GLU 126 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2ky9 s GLU 126 Cb 0.00 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2ky9 s GLU 126 CO 0.00 -1.37 0.41 0.72 0.95 0.00 0.00 175.26 175.97 2ky9 n HIS 127 N -3.10 0.00 -2.13 4.83 8.25 -1.26 -4.94 115.22 116.87 2ky9 n HIS 127 Ca 0.08 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ky9 n HIS 127 Cb 0.60 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2ky9 n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ky9 n HIS 128 N -0.08 3.50 1.33 4.41 -0.00 -1.26 -4.74 115.22 118.38 2ky9 n HIS 128 Ca 0.00 -2.92 0.08 0.00 -0.00 0.00 0.00 57.72 54.88 2ky9 n HIS 128 Cb 0.25 -2.30 0.32 0.00 -0.00 0.00 0.00 29.99 28.26 2ky9 n HIS 128 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ky9 n HIS 129 N 5.38 0.22 -2.20 -1.40 1.44 -1.26 -4.73 115.22 112.68 2ky9 n HIS 129 Ca 0.46 -0.11 -0.42 0.00 -2.01 0.00 0.00 57.72 55.63 2ky9 n HIS 129 Cb 0.39 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 2ky9 n HIS 129 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ky9 s HIS 130 N -1.78 2.96 0.00 -1.40 -3.43 -1.26 -2.57 115.29 107.82 2ky9 s HIS 130 Ca 0.27 0.84 0.00 0.00 -0.80 0.00 0.00 55.06 55.37 2ky9 s HIS 130 Cb 0.14 -3.68 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 2ky9 s HIS 130 CO 0.21 -2.47 0.00 1.58 -2.00 0.00 0.00 174.74 172.05 2ky9 n HIS 131 N 4.91 0.00 -0.67 0.38 -0.00 -1.26 -5.25 115.22 113.33 2ky9 n HIS 131 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2ky9 n HIS 131 Cb 0.43 -1.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.96 2ky9 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92