#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 2.71 0.14 0.03 2.20 -1.26 -4.79 119.74 118.77 2ky9 s LYS 2 Ca 0.00 1.24 -0.31 0.00 -0.36 0.00 0.00 55.97 56.54 2ky9 s LYS 2 Cb 0.00 -1.95 -0.10 0.00 -1.51 0.00 0.00 37.83 34.27 2ky9 s LYS 2 CO 0.00 -1.30 1.70 0.08 -0.36 0.00 0.00 175.35 175.47 2ky9 s VAL 3 N -2.62 2.53 0.00 4.02 1.01 -1.26 -2.25 120.40 121.83 2ky9 s VAL 3 Ca 0.64 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2ky9 s VAL 3 Cb -0.18 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2ky9 s VAL 3 CO 0.47 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2ky9 n GLY 4 N 4.00 0.34 3.70 4.51 0.00 -0.16 -5.02 105.19 112.56 2ky9 n GLY 4 Ca 0.16 0.00 -0.42 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 -2.60 6.99 -0.46 1.61 0.15 -0.95 -4.80 113.70 113.65 2ky9 s SER 5 Ca 0.00 2.02 -0.24 0.00 0.70 0.00 0.00 55.95 58.44 2ky9 s SER 5 Cb 0.00 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2ky9 s SER 5 CO 0.00 -0.57 0.82 -1.10 1.20 0.00 0.00 173.24 173.59 2ky9 s GLN 6 N 1.62 3.43 0.18 5.44 -1.52 -1.26 -1.94 119.66 125.61 2ky9 s GLN 6 Ca 0.60 -0.05 0.08 0.00 -1.95 0.00 0.00 55.36 54.04 2ky9 s GLN 6 Cb -0.30 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 28.51 2ky9 s GLN 6 CO 0.27 -1.15 -0.16 0.14 -0.25 0.00 0.00 175.29 174.14 2ky9 s VAL 7 N 3.42 1.76 -0.12 1.09 -7.23 -0.66 -3.29 120.40 115.36 2ky9 s VAL 7 Ca 0.32 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2ky9 s VAL 7 Cb -0.12 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2ky9 s VAL 7 CO 0.24 -0.46 0.03 -0.63 -0.31 0.00 0.00 175.10 173.96 2ky9 s ILE 8 N -2.52 4.53 -0.23 -0.62 -1.09 -0.09 -0.41 121.20 120.78 2ky9 s ILE 8 Ca 0.19 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 2ky9 s ILE 8 Cb -0.03 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2ky9 s ILE 8 CO 0.07 0.57 1.21 -0.63 -1.23 0.00 0.00 174.94 174.93 2ky9 s ILE 9 N -0.53 4.35 -0.12 2.92 1.01 -0.94 -0.20 121.20 127.68 2ky9 s ILE 9 Ca 0.10 1.60 -0.06 0.00 0.00 0.00 0.00 60.65 62.29 2ky9 s ILE 9 Cb -0.12 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2ky9 s ILE 9 CO 0.02 -0.26 -0.04 -1.13 0.00 0.00 0.00 174.94 173.53 2ky9 h ASN 10 N 8.32 0.00 -3.10 3.58 -1.24 -1.27 -2.16 115.58 119.71 2ky9 h ASN 10 Ca -0.24 -0.06 -0.60 0.00 0.71 0.00 0.00 56.30 56.11 2ky9 h ASN 10 Cb 1.09 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.09 2ky9 h ASN 10 CO 0.99 0.66 -0.14 -0.89 -1.29 0.00 0.00 177.43 176.76 2ky9 s THR 11 N -1.89 4.93 -0.10 -3.57 2.01 -1.10 -4.74 115.64 111.19 2ky9 s THR 11 Ca -0.08 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.90 2ky9 s THR 11 Cb 0.01 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2ky9 s THR 11 CO 0.14 0.56 -0.07 -0.94 -0.69 0.00 0.00 174.62 173.62 2ky9 s SER 12 N -1.04 1.96 -0.09 3.53 1.04 -1.26 -4.79 113.70 113.06 2ky9 s SER 12 Ca 0.26 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.22 2ky9 s SER 12 Cb -0.18 -0.77 -0.29 0.00 0.10 0.00 0.00 66.02 64.89 2ky9 s SER 12 CO 0.15 -0.10 0.70 0.45 0.98 0.00 0.00 173.24 175.43 2ky9 h HIS 13 N 7.91 0.43 -3.28 5.02 3.86 -1.98 -3.44 115.15 123.68 2ky9 h HIS 13 Ca -0.30 -0.32 -0.59 0.00 -1.16 0.00 0.00 60.37 58.01 2ky9 h HIS 13 Cb 1.14 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 29.51 2ky9 h HIS 13 CO 0.48 1.40 -0.24 -1.64 0.86 0.00 0.00 177.93 178.79 2ky9 s MET 14 N -2.43 4.26 0.56 2.45 -1.94 -1.26 -5.02 119.30 115.92 2ky9 s MET 14 Ca -0.17 0.26 0.30 0.00 -1.71 0.00 0.00 55.69 54.37 2ky9 s MET 14 Cb 0.02 -3.41 1.68 0.00 2.01 0.00 0.00 34.83 35.13 2ky9 s MET 14 CO 0.78 0.24 2.16 1.57 -0.01 0.00 0.00 175.02 179.77 2ky9 h LYS 15 N 6.53 0.00 0.00 2.03 2.10 -2.00 -2.11 116.57 123.12 2ky9 h LYS 15 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2ky9 h LYS 15 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2ky9 h LYS 15 CO 0.74 0.06 0.00 0.41 -2.00 0.00 0.00 179.45 178.67 2ky9 n GLY 16 N -0.90 -0.93 0.07 0.07 0.00 -1.26 -3.08 105.19 99.16 2ky9 n GLY 16 Ca -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2ky9 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ky9 h MET 17 N 0.00 0.00 -6.25 1.61 2.86 -1.73 0.02 114.93 111.43 2ky9 h MET 17 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 2ky9 h MET 17 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2ky9 h MET 17 CO 0.00 0.73 1.11 0.21 1.06 0.00 0.00 176.91 180.02 2ky9 s LYS 18 N -2.67 4.00 0.00 1.72 2.20 -1.18 -1.70 119.74 122.11 2ky9 s LYS 18 Ca -0.02 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2ky9 s LYS 18 Cb 0.09 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2ky9 s LYS 18 CO 0.82 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 2ky9 n GLY 19 N 4.37 0.88 3.74 5.54 0.00 -0.81 -4.93 105.19 113.98 2ky9 n GLY 19 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.50 3.41 -0.62 4.61 0.00 -0.69 -4.84 121.76 120.13 2ky9 s ALA 20 Ca 0.00 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 2ky9 s ALA 20 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2ky9 s ALA 20 CO 0.00 -0.30 1.13 -2.00 0.00 0.00 0.00 175.76 174.59 2ky9 s GLU 21 N -0.32 3.35 0.26 0.00 2.12 -1.26 -2.21 118.70 120.64 2ky9 s GLU 21 Ca 0.51 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.79 2ky9 s GLU 21 Cb -0.31 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 29.96 2ky9 s GLU 21 CO 0.36 -1.76 0.39 0.00 -0.54 0.00 0.00 175.26 173.71 2ky9 s ALA 22 N 4.83 3.93 -0.02 6.30 0.00 0.46 -4.27 121.76 132.98 2ky9 s ALA 22 Ca 0.36 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2ky9 s ALA 22 Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2ky9 s ALA 22 CO 0.20 0.18 -0.08 0.99 0.00 0.00 0.00 175.76 177.05 2ky9 s THR 23 N -2.04 0.69 -0.44 0.00 2.01 -0.18 -1.66 115.64 114.02 2ky9 s THR 23 Ca 0.36 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 2ky9 s THR 23 Cb -0.09 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2ky9 s THR 23 CO 0.30 0.22 1.02 -0.69 -0.69 0.00 0.00 174.62 174.77 2ky9 s VAL 24 N 0.17 4.39 -0.32 3.82 1.01 -0.82 -1.25 120.40 127.40 2ky9 s VAL 24 Ca -0.02 1.07 0.23 0.00 0.00 0.00 0.00 61.98 63.25 2ky9 s VAL 24 Cb -0.08 -4.48 0.12 0.00 0.00 0.00 0.00 36.38 31.95 2ky9 s VAL 24 CO 0.00 -0.83 1.26 0.71 0.00 0.00 0.00 175.10 176.24 2ky9 h THR 25 N 6.07 0.00 -1.77 3.92 1.35 -1.33 -0.40 112.91 120.75 2ky9 h THR 25 Ca -0.23 -0.99 0.25 0.00 -0.55 0.00 0.00 66.41 64.89 2ky9 h THR 25 Cb 1.07 1.67 -0.13 0.00 -1.73 0.00 0.00 68.15 69.03 2ky9 h THR 25 CO 1.06 0.00 0.70 -0.83 -0.25 0.00 0.00 175.52 176.20 2ky9 s GLY 26 N -4.29 -0.35 -0.01 5.82 0.00 -1.03 -4.89 107.32 102.57 2ky9 s GLY 26 Ca 0.02 0.81 0.03 0.00 0.00 0.00 0.00 44.72 45.58 2ky9 s GLY 26 CO 0.74 0.21 -0.09 0.00 0.00 0.00 0.00 173.10 173.97 2ky9 s ALA 27 N -2.71 0.80 -0.20 3.20 0.00 -1.26 -1.83 121.76 119.76 2ky9 s ALA 27 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 2ky9 s ALA 27 Cb 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2ky9 s ALA 27 CO -0.03 0.17 -0.04 0.71 0.00 0.00 0.00 175.76 176.57 2ky9 s TYR 28 N -0.07 1.89 -1.14 0.00 1.51 -0.16 -5.00 117.35 114.38 2ky9 s TYR 28 Ca 0.01 -1.35 -0.10 0.00 -1.01 0.00 0.00 57.07 54.63 2ky9 s TYR 28 Cb -0.05 -1.38 0.26 0.00 -0.11 0.00 0.00 41.96 40.67 2ky9 s TYR 28 CO -0.00 -0.69 1.21 -0.40 -1.11 0.00 0.00 175.55 174.56 2ky9 n ASP 29 N 4.81 5.52 -4.28 2.29 5.75 -1.26 -1.16 116.55 128.23 2ky9 n ASP 29 Ca -0.11 -3.05 -0.18 0.00 -0.01 0.00 0.00 54.79 51.44 2ky9 n ASP 29 Cb 0.46 -1.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.04 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 -0.83 0.58 -0.12 2.12 -1.32 -1.26 -5.05 115.64 109.76 2ky9 s THR 30 Ca 0.33 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.52 2ky9 s THR 30 Cb -0.07 -2.63 -0.03 0.00 -1.51 0.00 0.00 72.50 68.26 2ky9 s THR 30 CO -0.05 0.00 1.32 -0.89 -2.21 0.00 0.00 174.62 172.79 2ky9 s THR 31 N -3.68 4.13 0.09 5.08 2.01 -1.26 -3.92 115.64 118.10 2ky9 s THR 31 Ca 0.37 1.40 0.09 0.00 0.31 0.00 0.00 61.69 63.86 2ky9 s THR 31 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2ky9 s THR 31 CO 0.14 -0.09 -0.23 0.00 -0.69 0.00 0.00 174.62 173.75 2ky9 s ALA 32 N 3.28 2.47 0.10 7.40 0.00 -0.52 -2.88 121.76 131.61 2ky9 s ALA 32 Ca 0.58 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2ky9 s ALA 32 Cb -0.25 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2ky9 s ALA 32 CO 0.19 0.56 -0.11 0.71 0.00 0.00 0.00 175.76 177.10 2ky9 s TYR 33 N -1.00 1.15 -0.15 0.00 2.02 0.66 -1.61 117.35 118.43 2ky9 s TYR 33 Ca 0.15 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 2ky9 s TYR 33 Cb -0.10 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 2ky9 s TYR 33 CO 0.06 0.04 0.04 0.08 -1.57 0.00 0.00 175.55 174.20 2ky9 s VAL 34 N -2.24 4.58 0.24 0.71 1.01 -0.49 -1.98 120.40 122.23 2ky9 s VAL 34 Ca 0.05 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2ky9 s VAL 34 Cb -0.04 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2ky9 s VAL 34 CO 0.01 0.52 0.00 0.68 0.00 0.00 0.00 175.10 176.32 2ky9 s VAL 35 N -0.11 1.01 -0.06 2.92 -7.23 -0.17 -0.28 120.40 116.49 2ky9 s VAL 35 Ca 0.06 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2ky9 s VAL 35 Cb -0.12 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2ky9 s VAL 35 CO 0.02 -0.29 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.90 2ky9 s SER 36 N -3.31 1.30 0.14 4.85 0.15 -0.47 -1.17 113.70 115.18 2ky9 s SER 36 Ca 0.29 -0.17 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 2ky9 s SER 36 Cb 0.06 -0.56 0.05 0.00 -1.71 0.00 0.00 66.02 63.86 2ky9 s SER 36 CO 0.09 -0.06 0.47 -0.72 1.20 0.00 0.00 173.24 174.23 2ky9 s TYR 37 N 1.05 -0.31 -0.24 3.44 1.13 -0.56 -1.77 117.35 120.09 2ky9 s TYR 37 Ca -0.09 0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.55 2ky9 s TYR 37 Cb -0.14 0.37 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 2ky9 s TYR 37 CO -0.00 -0.76 0.01 0.99 -2.51 0.00 0.00 175.55 173.28 2ky9 s THR 38 N -3.79 3.80 0.25 -3.49 2.01 -1.26 -0.59 115.64 112.57 2ky9 s THR 38 Ca 0.03 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.33 2ky9 s THR 38 Cb 0.01 -2.78 -0.11 0.00 0.01 0.00 0.00 72.50 69.63 2ky9 s THR 38 CO -0.12 0.36 1.61 -2.16 -0.69 0.00 0.00 174.62 173.62 2ky9 s PRO 39 N 1.54 4.15 0.00 4.92 0.04 -1.26 -4.63 135.00 139.75 2ky9 s PRO 39 Ca 0.06 2.54 0.08 0.00 0.04 0.00 0.00 61.00 63.71 2ky9 s PRO 39 Cb -0.15 -3.06 0.37 0.00 0.04 0.00 0.00 34.50 31.70 2ky9 s PRO 39 CO 0.00 -0.64 1.16 0.25 0.04 0.00 0.00 177.00 177.81 2ky9 n THR 40 N 2.88 1.08 0.28 1.26 -2.24 -0.90 -2.22 114.28 114.42 2ky9 n THR 40 Ca 0.11 0.27 0.18 0.00 -2.27 0.00 0.00 64.05 62.33 2ky9 n THR 40 Cb 0.37 -1.14 0.90 0.00 -2.10 0.00 0.00 70.33 68.36 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 -3.06 3.42 -1.24 -1.83 -3.47 115.58 109.40 2ky9 h ASN 41 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2ky9 h ASN 41 Cb 0.09 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.17 2ky9 h ASN 41 CO 0.00 0.00 -0.10 0.61 -1.29 0.00 0.00 177.43 176.65 2ky9 n GLY 42 N -0.89 0.59 0.00 1.57 0.00 -0.94 -5.09 105.19 100.43 2ky9 n GLY 42 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 5.86 3.65 -0.02 0.00 -1.25 -5.11 105.19 106.97 2ky9 n GLY 43 Ca -0.01 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ky9 s GLN 44 N 1.44 4.12 -0.12 1.61 2.00 -1.26 -4.84 119.66 122.61 2ky9 s GLN 44 Ca 0.00 1.96 -0.32 0.00 -2.00 0.00 0.00 55.36 55.00 2ky9 s GLN 44 Cb 0.00 -3.94 -0.09 0.00 0.80 0.00 0.00 33.01 29.78 2ky9 s GLN 44 CO 0.00 -0.90 2.03 -2.13 -0.50 0.00 0.00 175.29 173.80 2ky9 n ARG 45 N 7.10 2.16 -3.02 1.67 0.00 -1.26 -4.50 116.66 118.80 2ky9 n ARG 45 Ca 0.17 0.73 -0.42 0.00 -0.00 0.00 0.00 57.85 58.33 2ky9 n ARG 45 Cb 0.44 -2.86 -0.06 0.00 0.00 0.00 0.00 32.46 29.98 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 5.66 4.82 0.19 5.15 1.01 0.24 -4.93 120.40 132.53 2ky9 s VAL 46 Ca 0.96 0.86 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2ky9 s VAL 46 Cb -0.56 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 2ky9 s VAL 46 CO 0.45 -0.32 0.05 1.51 0.00 0.00 0.00 175.10 176.79 2ky9 s ASP 47 N 1.75 5.00 -1.74 3.32 -4.77 -1.26 -1.50 116.67 117.46 2ky9 s ASP 47 Ca 0.29 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 49.19 2ky9 s ASP 47 Cb -0.14 -1.14 0.00 0.00 -1.09 0.00 0.00 42.92 40.55 2ky9 s ASP 47 CO 0.15 0.06 0.00 1.41 0.70 0.00 0.00 175.17 177.49 2ky9 n HIS 48 N -0.34 -0.75 -2.33 2.11 8.25 -0.89 -4.95 115.22 116.32 2ky9 n HIS 48 Ca -0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.96 2ky9 n HIS 48 Cb 0.56 -3.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 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 -2.81 3.37 -0.07 4.41 2.46 -0.32 -4.77 115.29 117.57 2ky9 s HIS 49 Ca 0.00 1.45 -0.27 0.00 0.47 0.00 0.00 55.06 56.71 2ky9 s HIS 49 Cb 0.00 -3.46 0.06 0.00 -0.13 0.00 0.00 32.58 29.05 2ky9 s HIS 49 CO 0.00 -1.27 0.62 -1.59 -2.47 0.00 0.00 174.74 170.03 2ky9 s LYS 50 N -0.76 0.96 0.05 2.88 -2.85 -1.26 -1.00 119.74 117.76 2ky9 s LYS 50 Ca 0.51 0.27 0.03 0.00 -1.00 0.00 0.00 55.97 55.78 2ky9 s LYS 50 Cb -0.34 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2ky9 s LYS 50 CO 0.41 -0.28 0.02 -1.58 0.10 0.00 0.00 175.35 174.02 2ky9 s TRP 51 N -1.01 3.07 -0.05 1.78 0.52 -0.76 -4.76 118.94 117.73 2ky9 s TRP 51 Ca -0.10 0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.12 2ky9 s TRP 51 Cb -0.01 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 2ky9 s TRP 51 CO 0.08 0.48 -0.21 0.14 0.02 0.00 0.00 176.95 177.46 2ky9 s VAL 52 N -1.23 1.75 0.41 4.03 -7.23 -0.84 -3.98 120.40 113.31 2ky9 s VAL 52 Ca 0.24 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 2ky9 s VAL 52 Cb -0.12 -1.49 -0.06 0.00 0.56 0.00 0.00 36.38 35.27 2ky9 s VAL 52 CO 0.16 0.49 0.13 0.27 -0.31 0.00 0.00 175.10 175.85 2ky9 s ILE 53 N -0.08 2.23 0.31 -0.62 -4.36 -1.26 -0.25 121.20 117.16 2ky9 s ILE 53 Ca -0.03 -1.78 0.07 0.00 -0.26 0.00 0.00 60.65 58.65 2ky9 s ILE 53 Cb -0.12 -3.00 0.31 0.00 1.25 0.00 0.00 42.46 40.89 2ky9 s ILE 53 CO 0.03 -0.00 1.77 1.56 0.24 0.00 0.00 174.94 178.54 2ky9 h GLN 54 N 1.52 0.70 0.00 0.37 1.08 -1.86 -1.27 115.11 115.65 2ky9 h GLN 54 Ca -0.43 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 2ky9 h GLN 54 Cb 1.25 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2ky9 h GLN 54 CO 0.73 0.47 -0.05 1.49 -0.95 0.00 0.00 178.83 180.51 2ky9 h GLU 55 N 0.73 0.00 0.00 1.46 4.57 -1.96 -3.17 114.58 116.20 2ky9 h GLU 55 Ca 0.59 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.62 2ky9 h GLU 55 Cb 0.96 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 2ky9 h GLU 55 CO -0.39 0.05 -1.50 -1.91 -1.18 0.00 0.00 179.01 174.09 2ky9 n GLU 56 N -3.15 0.63 -3.81 1.92 2.13 -0.55 -4.89 120.64 112.91 2ky9 n GLU 56 Ca 0.01 0.15 -0.35 0.00 0.66 0.00 0.00 57.16 57.63 2ky9 n GLU 56 Cb 0.38 -1.76 -0.09 0.00 0.27 0.00 0.00 31.44 30.25 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ky9 s ILE 57 N -3.01 5.20 -0.04 6.31 1.01 -0.76 -1.97 121.20 127.94 2ky9 s ILE 57 Ca -0.04 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2ky9 s ILE 57 Cb 0.09 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 2ky9 s ILE 57 CO 0.82 0.44 0.78 0.50 0.00 0.00 0.00 174.94 177.48 2ky9 h LYS 58 N 6.78 -0.37 0.00 2.79 3.64 -1.79 -3.31 116.57 124.31 2ky9 h LYS 58 Ca -0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2ky9 h LYS 58 Cb 1.16 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2ky9 h LYS 58 CO 0.73 -0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.59 2ky9 n ASP 59 N -5.04 0.00 -0.40 4.20 9.92 -1.26 -3.83 116.55 120.14 2ky9 n ASP 59 Ca -0.07 -0.10 -0.08 0.00 -0.53 0.00 0.00 54.79 54.01 2ky9 n ASP 59 Cb 0.24 -0.15 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ky9 n ALA 60 N -1.15 -0.48 -2.05 2.24 0.00 -1.25 -4.90 120.51 112.92 2ky9 n ALA 60 Ca 0.07 0.87 -0.14 0.00 0.00 0.00 0.00 53.44 54.24 2ky9 n ALA 60 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.31 0.20 2.63 0.00 0.00 -1.25 -2.80 105.19 102.66 2ky9 n GLY 61 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.50 -5.27 -4.89 1.61 8.00 -1.26 -5.00 116.55 109.24 2ky9 n ASP 62 Ca -0.16 0.29 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 2ky9 n ASP 62 Cb 0.58 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 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 -2.87 2.66 -0.50 -1.24 -2.85 -1.12 -5.08 119.74 108.74 2ky9 s LYS 63 Ca 0.00 -1.39 -0.27 0.00 -1.00 0.00 0.00 55.97 53.31 2ky9 s LYS 63 Cb 0.00 -2.47 0.03 0.00 -2.06 0.00 0.00 37.83 33.33 2ky9 s LYS 63 CO 0.00 -0.08 1.03 0.99 0.10 0.00 0.00 175.35 177.39 2ky9 s THR 64 N -2.38 4.31 0.23 3.79 2.01 -1.26 -5.01 115.64 117.32 2ky9 s THR 64 Ca 0.46 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 63.03 2ky9 s THR 64 Cb -0.05 -4.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.83 2ky9 s THR 64 CO 0.28 -1.00 1.07 -0.76 -0.69 0.00 0.00 174.62 173.52 2ky9 s LEU 65 N 4.18 4.55 0.30 4.42 1.43 -1.26 -5.06 118.68 127.23 2ky9 s LEU 65 Ca 0.41 2.14 0.11 0.00 -1.03 0.00 0.00 54.13 55.75 2ky9 s LEU 65 Cb -0.09 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2ky9 s LEU 65 CO 0.27 -0.11 -0.12 -1.10 0.23 0.00 0.00 176.35 175.52 2ky9 s GLN 66 N -0.98 1.87 -0.58 1.70 -1.52 -1.26 -4.60 119.66 114.30 2ky9 s GLN 66 Ca 0.46 -1.73 -0.37 0.00 -1.95 0.00 0.00 55.36 51.77 2ky9 s GLN 66 Cb -0.30 -1.85 -0.17 0.00 -0.22 0.00 0.00 33.01 30.47 2ky9 s GLN 66 CO 0.37 0.28 2.31 -2.30 -0.25 0.00 0.00 175.29 175.71 2ky9 n PRO 67 N -0.74 0.39 0.00 2.91 -0.02 -1.25 -1.40 135.00 134.89 2ky9 n PRO 67 Ca -0.05 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2ky9 n PRO 67 Cb 0.61 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 6.87 1.57 3.55 -1.23 0.00 -0.35 -5.03 105.19 110.58 2ky9 n GLY 68 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 5.23 -0.17 1.61 1.11 -0.49 -4.82 116.67 117.19 2ky9 s ASP 69 Ca 0.00 0.44 -0.29 0.00 0.18 0.00 0.00 52.55 52.88 2ky9 s ASP 69 Cb 0.00 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 2ky9 s ASP 69 CO 0.00 -2.39 1.03 -1.58 1.18 0.00 0.00 175.17 173.41 2ky9 s GLN 70 N 7.08 4.34 0.33 8.23 0.74 -1.26 -1.69 119.66 137.42 2ky9 s GLN 70 Ca 0.70 1.38 0.03 0.00 0.05 0.00 0.00 55.36 57.52 2ky9 s GLN 70 Cb -0.13 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 2ky9 s GLN 70 CO 0.22 -0.48 0.11 0.14 -0.55 0.00 0.00 175.29 174.73 2ky9 s VAL 71 N 2.64 0.68 -0.05 1.34 -7.23 -0.07 -4.99 120.40 112.72 2ky9 s VAL 71 Ca 0.46 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2ky9 s VAL 71 Cb -0.17 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2ky9 s VAL 71 CO 0.12 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.12 2ky9 s ILE 72 N -3.46 2.89 -0.22 -0.62 -1.09 -1.26 -1.00 121.20 116.44 2ky9 s ILE 72 Ca 0.33 -0.79 -0.18 0.00 -2.23 0.00 0.00 60.65 57.79 2ky9 s ILE 72 Cb 0.06 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2ky9 s ILE 72 CO 0.15 0.59 0.50 -0.76 -1.23 0.00 0.00 174.94 174.19 2ky9 s LEU 73 N -0.69 4.12 -0.05 2.97 1.43 -1.07 -2.70 118.68 122.70 2ky9 s LEU 73 Ca 0.11 0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 2ky9 s LEU 73 Cb -0.11 -2.67 -0.31 0.00 0.03 0.00 0.00 46.19 43.14 2ky9 s LEU 73 CO 0.00 -0.19 0.89 -0.33 0.23 0.00 0.00 176.35 176.95 2ky9 h GLU 74 N 7.59 0.28 -7.52 1.70 4.39 -1.73 -1.96 114.58 117.33 2ky9 h GLU 74 Ca -0.33 -0.48 -0.46 0.00 0.34 0.00 0.00 59.36 58.43 2ky9 h GLU 74 Cb 1.15 0.18 0.11 0.00 -0.10 0.00 0.00 28.75 30.10 2ky9 h GLU 74 CO 0.73 1.23 0.31 0.00 -1.16 0.00 0.00 179.01 180.12 2ky9 s ALA 75 N -2.42 2.82 -0.08 3.43 0.00 -1.25 -4.72 121.76 119.55 2ky9 s ALA 75 Ca -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2ky9 s ALA 75 Cb 0.01 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.54 2ky9 s ALA 75 CO 0.82 -1.81 0.16 -1.54 0.00 0.00 0.00 175.76 173.40 2ky9 s SER 76 N -4.70 0.19 0.09 0.00 1.04 -1.26 -3.28 113.70 105.78 2ky9 s SER 76 Ca 0.66 0.33 0.19 0.00 0.48 0.00 0.00 55.95 57.62 2ky9 s SER 76 Cb -0.07 0.24 -0.11 0.00 0.10 0.00 0.00 66.02 66.18 2ky9 s SER 76 CO 0.48 -0.19 0.83 1.41 0.98 0.00 0.00 173.24 176.76 2ky9 n HIS 77 N 4.63 0.84 -3.68 5.02 8.25 -1.26 -4.98 115.22 124.04 2ky9 n HIS 77 Ca -0.18 0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.47 2ky9 n HIS 77 Cb 0.51 -0.99 0.01 0.00 1.12 0.00 0.00 29.99 30.64 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 n MET 78 N -2.75 0.69 -2.01 -0.41 0.00 -1.26 -5.12 117.12 106.26 2ky9 n MET 78 Ca -0.07 -1.71 -0.42 0.00 0.00 0.00 0.00 57.70 55.50 2ky9 n MET 78 Cb 0.73 1.94 -0.03 0.00 0.00 0.00 0.00 33.22 35.86 2ky9 n MET 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2ky9 s LYS 79 N -2.24 4.26 0.00 3.17 -2.85 -1.26 -3.08 119.74 117.74 2ky9 s LYS 79 Ca 0.15 2.28 0.00 0.00 -1.00 0.00 0.00 55.97 57.39 2ky9 s LYS 79 Cb -0.02 -3.16 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 2ky9 s LYS 79 CO 0.11 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.46 2ky9 n GLY 80 N 3.20 0.51 0.08 0.59 0.00 -1.26 -4.66 105.19 103.64 2ky9 n GLY 80 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 0.00 -6.55 1.61 -1.53 -1.88 -2.39 114.93 105.19 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 0.03 0.00 -0.55 0.00 0.00 31.60 31.08 2ky9 h MET 81 CO 0.00 0.76 0.84 0.21 0.14 0.00 0.00 176.91 178.85 2ky9 s LYS 82 N -2.19 4.26 0.00 0.39 2.20 -1.21 -2.89 119.74 120.30 2ky9 s LYS 82 Ca -0.20 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 2ky9 s LYS 82 Cb 0.01 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2ky9 s LYS 82 CO 0.51 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 2ky9 n GLY 83 N 3.69 1.85 3.83 5.54 0.00 -0.74 -4.98 105.19 114.38 2ky9 n GLY 83 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.69 3.01 -0.25 4.61 0.00 -1.14 -4.87 121.76 120.42 2ky9 s ALA 84 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 2ky9 s ALA 84 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2ky9 s ALA 84 CO 0.00 -0.19 0.60 0.99 0.00 0.00 0.00 175.76 177.17 2ky9 s THR 85 N -2.43 5.00 0.30 0.00 2.01 -1.26 -2.58 115.64 116.68 2ky9 s THR 85 Ca 0.61 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.75 2ky9 s THR 85 Cb -0.11 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2ky9 s THR 85 CO 0.26 0.04 0.31 0.00 -0.69 0.00 0.00 174.62 174.53 2ky9 s ALA 86 N 2.45 3.85 -0.04 7.40 0.00 -0.17 -4.14 121.76 131.11 2ky9 s ALA 86 Ca 0.25 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 2ky9 s ALA 86 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2ky9 s ALA 86 CO 0.09 0.10 0.01 -2.00 0.00 0.00 0.00 175.76 173.96 2ky9 s GLU 87 N -3.98 0.30 -0.22 0.00 2.12 -0.73 -0.89 118.70 115.30 2ky9 s GLU 87 Ca 0.38 0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.55 2ky9 s GLU 87 Cb -0.07 -0.56 -0.05 0.00 0.26 0.00 0.00 34.13 33.70 2ky9 s GLU 87 CO 0.27 -0.19 2.20 0.42 -0.54 0.00 0.00 175.26 177.42 2ky9 s ILE 88 N 1.32 3.03 0.09 -3.70 -1.09 -0.68 -1.37 121.20 118.80 2ky9 s ILE 88 Ca -0.06 0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.33 2ky9 s ILE 88 Cb -0.13 -3.04 -0.25 0.00 -1.58 0.00 0.00 42.46 37.46 2ky9 s ILE 88 CO -0.02 -0.02 1.20 -0.78 -1.23 0.00 0.00 174.94 174.08 2ky9 h ASP 89 N 14.91 0.57 -5.00 3.58 3.58 -0.92 -0.91 116.42 132.23 2ky9 h ASP 89 Ca -0.41 -0.53 0.01 0.00 0.42 0.00 0.00 57.03 56.53 2ky9 h ASP 89 Cb 1.24 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.01 2ky9 h ASP 89 CO 0.96 1.36 0.22 -0.55 -2.88 0.00 0.00 179.24 178.36 2ky9 s SER 90 N -7.19 -0.47 0.04 2.28 0.15 -0.69 -4.54 113.70 103.28 2ky9 s SER 90 Ca -0.06 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2ky9 s SER 90 Cb 0.07 0.64 -0.02 0.00 -1.71 0.00 0.00 66.02 65.00 2ky9 s SER 90 CO 0.89 -1.09 -0.10 0.00 1.20 0.00 0.00 173.24 174.14 2ky9 s ALA 91 N -3.80 0.81 -0.07 5.45 0.00 -1.26 -1.39 121.76 121.50 2ky9 s ALA 91 Ca 0.04 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 2ky9 s ALA 91 Cb -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2ky9 s ALA 91 CO -0.06 0.08 0.55 -2.00 0.00 0.00 0.00 175.76 174.32 2ky9 s GLU 92 N -1.38 0.87 -0.68 0.00 2.56 -0.63 -4.97 118.70 114.48 2ky9 s GLU 92 Ca -0.05 0.21 -0.15 0.00 0.00 0.00 0.00 54.97 54.98 2ky9 s GLU 92 Cb -0.09 0.41 0.17 0.00 2.00 0.00 0.00 34.13 36.62 2ky9 s GLU 92 CO 0.01 -0.24 0.64 0.15 -0.56 0.00 0.00 175.26 175.26 2ky9 s LYS 93 N -0.98 3.28 0.06 4.30 3.01 -1.26 -1.44 119.74 126.71 2ky9 s LYS 93 Ca -0.10 -2.02 0.02 0.00 -1.01 0.00 0.00 55.97 52.86 2ky9 s LYS 93 Cb -0.02 -4.37 -0.03 0.00 -1.01 0.00 0.00 37.83 32.40 2ky9 s LYS 93 CO 0.07 -1.33 -0.07 -0.08 0.51 0.00 0.00 175.35 174.44 2ky9 s THR 94 N 1.05 0.57 -0.23 2.17 -1.32 -1.25 -5.00 115.64 111.63 2ky9 s THR 94 Ca 0.11 -1.46 -0.25 0.00 -1.21 0.00 0.00 61.69 58.88 2ky9 s THR 94 Cb -0.20 -1.08 -0.01 0.00 -1.51 0.00 0.00 72.50 69.70 2ky9 s THR 94 CO -0.02 -0.62 0.83 -0.89 -2.21 0.00 0.00 174.62 171.71 2ky9 s THR 95 N -2.42 4.85 -0.14 5.08 2.01 -1.26 -4.15 115.64 119.60 2ky9 s THR 95 Ca -0.01 1.57 -0.04 0.00 0.31 0.00 0.00 61.69 63.52 2ky9 s THR 95 Cb -0.03 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 2ky9 s THR 95 CO -0.02 -0.06 -0.01 0.68 -0.69 0.00 0.00 174.62 174.52 2ky9 s VAL 96 N 2.74 4.14 0.36 3.82 -7.23 -0.30 -3.69 120.40 120.25 2ky9 s VAL 96 Ca 0.35 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.32 2ky9 s VAL 96 Cb -0.15 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2ky9 s VAL 96 CO 0.08 0.52 0.23 -0.31 -0.31 0.00 0.00 175.10 175.31 2ky9 s TYR 97 N 0.02 2.74 -0.25 2.82 1.51 0.28 -0.99 117.35 123.49 2ky9 s TYR 97 Ca 0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2ky9 s TYR 97 Cb -0.13 -1.83 0.06 0.00 -0.11 0.00 0.00 41.96 39.95 2ky9 s TYR 97 CO 0.02 0.19 -0.11 1.41 -1.11 0.00 0.00 175.55 175.95 2ky9 s MET 98 N -3.95 2.21 0.05 -0.62 -2.45 -0.76 -3.85 119.30 109.94 2ky9 s MET 98 Ca 0.41 -1.23 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 2ky9 s MET 98 Cb -0.03 -2.80 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 2ky9 s MET 98 CO 0.25 -0.54 -0.15 0.14 1.05 0.00 0.00 175.02 175.77 2ky9 s VAL 99 N 1.17 1.22 -0.11 10.11 -7.23 -1.23 -0.85 120.40 123.49 2ky9 s VAL 99 Ca -0.07 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2ky9 s VAL 99 Cb -0.19 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2ky9 s VAL 99 CO -0.06 -0.04 0.03 1.51 -0.31 0.00 0.00 175.10 176.23 2ky9 s ASP 100 N -1.36 5.45 0.37 4.85 1.47 -0.38 -1.03 116.67 126.03 2ky9 s ASP 100 Ca 0.02 0.17 -0.12 0.00 1.18 0.00 0.00 52.55 53.79 2ky9 s ASP 100 Cb -0.09 -1.65 0.04 0.00 -0.34 0.00 0.00 42.92 40.88 2ky9 s ASP 100 CO 0.02 0.34 0.70 -0.72 0.68 0.00 0.00 175.17 176.19 2ky9 s TYR 101 N -0.66 0.36 -0.24 2.11 1.13 -0.23 -1.01 117.35 118.82 2ky9 s TYR 101 Ca 0.11 -0.91 0.01 0.00 -1.41 0.00 0.00 57.07 54.87 2ky9 s TYR 101 Cb -0.12 0.58 0.04 0.00 -1.10 0.00 0.00 41.96 41.36 2ky9 s TYR 101 CO 0.02 -1.44 -0.11 0.99 -2.51 0.00 0.00 175.55 172.50 2ky9 s THR 102 N -2.59 2.42 -0.29 -3.49 2.01 -1.26 -0.78 115.64 111.66 2ky9 s THR 102 Ca 0.19 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 2ky9 s THR 102 Cb -0.04 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.15 2ky9 s THR 102 CO 0.14 0.20 2.23 -1.20 -0.69 0.00 0.00 174.62 175.30 2ky9 n SER 103 N 4.57 2.80 -0.05 3.53 7.64 0.05 -4.65 113.62 127.52 2ky9 n SER 103 Ca -0.17 0.22 0.19 0.00 1.01 0.00 0.00 58.87 60.12 2ky9 n SER 103 Cb 0.46 -1.46 0.64 0.00 -1.01 0.00 0.00 64.21 62.84 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 7.19 0.75 0.73 0.44 1.35 -1.32 0.48 112.91 122.52 2ky9 h THR 104 Ca -0.35 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 2ky9 h THR 104 Cb 1.27 0.62 0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2ky9 h THR 104 CO 1.00 0.02 -0.35 0.74 -0.25 0.00 0.00 175.52 176.68 2ky9 h THR 105 N 0.12 0.00 0.00 6.82 2.02 -1.90 -3.39 112.91 116.58 2ky9 h THR 105 Ca 0.29 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2ky9 h THR 105 Cb 0.99 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2ky9 h THR 105 CO -0.03 0.00 -1.20 -1.20 0.37 0.00 0.00 175.52 173.46 2ky9 n SER 106 N -5.21 0.78 -0.08 4.18 7.64 -1.10 -4.98 113.62 114.85 2ky9 n SER 106 Ca -0.12 -0.67 -0.01 0.00 1.01 0.00 0.00 58.87 59.08 2ky9 n SER 106 Cb 0.39 1.27 -0.00 0.00 -1.01 0.00 0.00 64.21 64.85 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ky9 n GLY 107 N 1.43 0.47 3.69 0.23 0.00 0.14 -5.02 105.19 106.13 2ky9 n GLY 107 Ca 0.01 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.90 4.30 -0.78 1.61 2.56 -1.24 -4.79 118.70 119.45 2ky9 s GLU 108 Ca 0.00 1.92 -0.26 0.00 0.00 0.00 0.00 54.97 56.64 2ky9 s GLU 108 Cb 0.00 -3.55 0.01 0.00 2.00 0.00 0.00 34.13 32.59 2ky9 s GLU 108 CO 0.00 -0.54 1.55 0.15 -0.56 0.00 0.00 175.26 175.86 2ky9 s LYS 109 N 2.28 3.04 -0.47 4.30 1.02 -1.26 -0.77 119.74 127.88 2ky9 s LYS 109 Ca 0.63 -0.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.23 2ky9 s LYS 109 Cb -0.31 -4.58 0.04 0.00 -0.52 0.00 0.00 37.83 32.47 2ky9 s LYS 109 CO 0.26 -2.47 0.61 0.08 -0.92 0.00 0.00 175.35 172.90 2ky9 s VAL 110 N 7.03 4.88 -0.02 3.17 1.01 0.04 -4.96 120.40 131.56 2ky9 s VAL 110 Ca 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2ky9 s VAL 110 Cb -0.08 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2ky9 s VAL 110 CO 0.10 -0.67 0.02 -0.54 0.00 0.00 0.00 175.10 174.00 2ky9 s LYS 111 N 2.64 2.90 -1.49 2.72 1.02 -1.26 -1.07 119.74 125.19 2ky9 s LYS 111 Ca 0.17 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 2ky9 s LYS 111 Cb -0.17 -2.74 0.07 0.00 -0.52 0.00 0.00 37.83 34.47 2ky9 s LYS 111 CO 0.15 0.65 0.97 0.09 -0.92 0.00 0.00 175.35 176.29 2ky9 n ASN 112 N 1.51 -5.15 -4.73 2.83 4.13 -0.41 -4.90 115.26 108.54 2ky9 n ASN 112 Ca -0.15 -0.68 -0.42 0.00 1.68 0.00 0.00 54.58 55.01 2ky9 n ASN 112 Cb 0.53 -4.10 -0.03 0.00 -1.54 0.00 0.00 39.78 34.64 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2ky9 s HIS 113 N -3.27 2.92 0.03 3.10 2.46 -0.20 -4.62 115.29 115.71 2ky9 s HIS 113 Ca 0.62 0.59 0.03 0.00 0.47 0.00 0.00 55.06 56.76 2ky9 s HIS 113 Cb -0.30 -4.04 -0.02 0.00 -0.13 0.00 0.00 32.58 28.09 2ky9 s HIS 113 CO 0.76 -3.76 -0.08 0.15 -2.47 0.00 0.00 174.74 169.34 2ky9 s LYS 114 N 0.61 0.58 -0.17 2.88 1.02 -1.26 -3.48 119.74 119.92 2ky9 s LYS 114 Ca 0.69 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 2ky9 s LYS 114 Cb -0.47 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 36.36 2ky9 s LYS 114 CO 0.37 0.10 -0.03 -1.58 -0.92 0.00 0.00 175.35 173.29 2ky9 s TRP 115 N -0.95 3.01 0.31 3.18 0.52 -1.26 -4.93 118.94 118.82 2ky9 s TRP 115 Ca -0.05 -0.43 0.11 0.00 0.02 0.00 0.00 56.10 55.76 2ky9 s TRP 115 Cb -0.08 -2.00 -0.06 0.00 -1.15 0.00 0.00 33.47 30.19 2ky9 s TRP 115 CO 0.00 -0.15 -0.15 0.14 0.02 0.00 0.00 176.95 176.82 2ky9 s VAL 116 N 0.64 2.42 0.43 4.03 -7.23 -1.25 -1.83 120.40 117.61 2ky9 s VAL 116 Ca -0.02 -2.30 0.06 0.00 -1.81 0.00 0.00 61.98 57.91 2ky9 s VAL 116 Cb -0.14 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 2ky9 s VAL 116 CO 0.02 -0.32 0.07 0.42 -0.31 0.00 0.00 175.10 174.99 2ky9 s THR 117 N -2.54 2.00 0.33 5.32 -4.23 -1.26 -0.56 115.64 114.70 2ky9 s THR 117 Ca 0.31 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2ky9 s THR 117 Cb -0.02 -2.89 0.08 0.00 1.34 0.00 0.00 72.50 71.02 2ky9 s THR 117 CO 0.16 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 175.94 2ky9 h GLU 118 N 1.59 0.23 0.00 3.99 4.81 -1.92 -2.14 114.58 121.13 2ky9 h GLU 118 Ca -0.43 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2ky9 h GLU 118 Cb 1.25 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2ky9 h GLU 118 CO 0.76 0.52 -0.01 -0.44 -0.73 0.00 0.00 179.01 179.11 2ky9 h ASP 119 N 0.20 0.00 -0.19 1.04 3.32 -1.97 -2.00 116.42 116.82 2ky9 h ASP 119 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2ky9 h ASP 119 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2ky9 h ASP 119 CO 0.05 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 176.95 2ky9 n GLU 120 N -3.10 1.89 -4.63 3.56 1.02 -0.82 -4.74 120.64 113.82 2ky9 n GLU 120 Ca 0.01 -1.33 -0.28 0.00 -0.02 0.00 0.00 57.16 55.54 2ky9 n GLU 120 Cb 0.32 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.59 2.66 -0.13 -4.62 1.43 -0.75 -0.89 118.68 114.79 2ky9 s LEU 121 Ca 0.34 -1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2ky9 s LEU 121 Cb 0.19 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.68 2ky9 s LEU 121 CO 0.28 -0.56 0.27 -0.44 0.23 0.00 0.00 176.35 176.13 2ky9 s SER 122 N -3.72 0.16 -0.30 2.29 0.01 0.72 -4.64 113.70 108.22 2ky9 s SER 122 Ca 0.29 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 2ky9 s SER 122 Cb 0.08 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.96 2ky9 s SER 122 CO 0.15 -0.22 1.77 0.00 0.41 0.00 0.00 173.24 175.34 2ky9 s ALA 123 N 2.14 2.97 -1.17 1.44 0.00 -1.26 -0.91 121.76 124.97 2ky9 s ALA 123 Ca -0.02 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 2ky9 s ALA 123 Cb -0.12 -3.98 0.10 0.00 0.00 0.00 0.00 23.12 19.13 2ky9 s ALA 123 CO -0.09 -2.46 1.52 0.21 0.00 0.00 0.00 175.76 174.94 2ky9 s LYS 124 N 5.43 3.90 -0.09 0.00 2.20 -1.21 -4.75 119.74 125.22 2ky9 s LYS 124 Ca 0.79 -1.98 -0.12 0.00 -0.36 0.00 0.00 55.97 54.30 2ky9 s LYS 124 Cb -0.24 -5.29 -0.09 0.00 -1.51 0.00 0.00 37.83 30.71 2ky9 s LYS 124 CO 0.33 -2.04 0.41 1.25 -0.36 0.00 0.00 175.35 174.93 2ky9 h LEU 125 N 11.49 -0.10-10.64 5.43 5.85 -1.92 -3.48 115.31 121.94 2ky9 h LEU 125 Ca 0.33 -0.26 -0.49 0.00 0.84 0.00 0.00 57.88 58.29 2ky9 h LEU 125 Cb 0.92 0.03 0.03 0.00 0.37 0.00 0.00 40.66 42.00 2ky9 h LEU 125 CO 1.35 0.50 -0.10 -1.61 -0.34 0.00 0.00 178.44 178.23 2ky9 s GLU 126 N -2.28 2.31 -0.05 1.25 2.02 -1.26 -5.08 118.70 115.61 2ky9 s GLU 126 Ca -0.07 -1.65 -0.39 0.00 0.02 0.00 0.00 54.97 52.88 2ky9 s GLU 126 Cb -0.00 -2.64 -0.17 0.00 0.10 0.00 0.00 34.13 31.41 2ky9 s GLU 126 CO 0.26 -0.85 1.39 -2.39 0.02 0.00 0.00 175.26 173.68 2ky9 n HIS 127 N -2.23 1.47 -3.70 1.61 1.44 -1.26 -5.02 115.22 107.52 2ky9 n HIS 127 Ca 0.15 0.74 -0.28 0.00 -2.01 0.00 0.00 57.72 56.32 2ky9 n HIS 127 Cb 0.62 -2.30 -0.16 0.00 0.12 0.00 0.00 29.99 28.26 2ky9 n HIS 127 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ky9 s HIS 128 N 1.20 0.94 -0.39 -1.40 3.76 -1.26 -5.11 115.29 113.03 2ky9 s HIS 128 Ca 0.90 -0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 2ky9 s HIS 128 Cb -1.08 -1.05 0.08 0.00 1.11 0.00 0.00 32.58 31.64 2ky9 s HIS 128 CO 0.55 -0.64 0.18 -1.58 -0.85 0.00 0.00 174.74 172.40 2ky9 s HIS 129 N 1.89 3.39 0.10 1.40 5.04 -1.26 -5.08 115.29 120.77 2ky9 s HIS 129 Ca 0.01 -1.85 -0.31 0.00 -1.54 0.00 0.00 55.06 51.37 2ky9 s HIS 129 Cb -0.17 -2.82 -0.09 0.00 0.04 0.00 0.00 32.58 29.54 2ky9 s HIS 129 CO -0.12 -0.87 1.69 -3.38 -2.34 0.00 0.00 174.74 169.73 2ky9 s HIS 130 N 1.30 2.45 -0.21 3.88 -3.43 -1.26 -5.01 115.29 113.01 2ky9 s HIS 130 Ca 0.03 0.27 -0.00 0.00 -0.80 0.00 0.00 55.06 54.55 2ky9 s HIS 130 Cb -0.22 -4.03 0.02 0.00 -1.43 0.00 0.00 32.58 26.92 2ky9 s HIS 130 CO -0.00 -4.11 -0.13 -3.38 -2.00 0.00 0.00 174.74 165.12 2ky9 s HIS 131 N 2.41 2.92 0.00 0.38 -3.43 -1.26 -5.13 115.29 111.18 2ky9 s HIS 131 Ca 0.75 -1.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.44 2ky9 s HIS 131 Cb -0.42 -1.98 0.00 0.00 -1.43 0.00 0.00 32.58 28.74 2ky9 s HIS 131 CO 0.33 -0.75 0.00 0.72 -2.00 0.00 0.00 174.74 173.04