#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky9 s LYS 2 N 0.00 3.59 0.25 2.12 -0.14 -1.26 -4.96 119.74 119.33 2ky9 s LYS 2 Ca 0.00 -0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.22 2ky9 s LYS 2 Cb 0.00 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.40 2ky9 s LYS 2 CO 0.00 0.20 1.33 0.08 -0.76 0.00 0.00 175.35 176.20 2ky9 s VAL 3 N -2.14 2.97 0.00 3.17 1.01 -1.26 -2.89 120.40 121.25 2ky9 s VAL 3 Ca 0.43 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2ky9 s VAL 3 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2ky9 s VAL 3 CO 0.32 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2ky9 n GLY 4 N 1.90 1.15 3.76 4.51 0.00 0.30 -5.02 105.19 111.79 2ky9 n GLY 4 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.10 7.31 -0.27 1.61 0.15 -1.14 -4.86 113.70 114.40 2ky9 s SER 5 Ca 0.00 2.12 -0.12 0.00 0.70 0.00 0.00 55.95 58.66 2ky9 s SER 5 Cb 0.00 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 2ky9 s SER 5 CO 0.00 -0.10 0.21 -1.10 1.20 0.00 0.00 173.24 173.46 2ky9 s GLN 6 N -1.55 4.00 0.17 5.44 -0.21 -1.26 -0.95 119.66 125.31 2ky9 s GLN 6 Ca 0.46 -0.24 0.08 0.00 0.02 0.00 0.00 55.36 55.68 2ky9 s GLN 6 Cb -0.28 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 2ky9 s GLN 6 CO 0.36 -0.13 -0.18 0.14 -2.12 0.00 0.00 175.29 173.37 2ky9 s VAL 7 N 1.61 1.81 -0.13 1.09 -7.23 -0.25 -2.38 120.40 114.91 2ky9 s VAL 7 Ca 0.09 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2ky9 s VAL 7 Cb -0.15 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2ky9 s VAL 7 CO 0.09 -0.37 0.06 -0.63 -0.31 0.00 0.00 175.10 173.94 2ky9 s ILE 8 N -2.22 4.79 -0.25 -0.62 -1.09 -0.19 -0.79 121.20 120.82 2ky9 s ILE 8 Ca 0.17 -0.05 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 2ky9 s ILE 8 Cb -0.05 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.72 2ky9 s ILE 8 CO 0.07 0.55 0.68 -0.63 -1.23 0.00 0.00 174.94 174.37 2ky9 s ILE 9 N -0.39 4.95 -0.08 2.92 1.01 -0.89 -1.47 121.20 127.25 2ky9 s ILE 9 Ca 0.09 1.22 0.14 0.00 0.00 0.00 0.00 60.65 62.11 2ky9 s ILE 9 Cb -0.12 -3.98 -0.21 0.00 0.01 0.00 0.00 42.46 38.16 2ky9 s ILE 9 CO 0.02 -0.01 0.62 -0.46 0.00 0.00 0.00 174.94 175.11 2ky9 n ASN 10 N 5.79 0.74 -3.97 3.58 0.23 -0.45 -0.34 115.26 120.84 2ky9 n ASN 10 Ca 0.01 0.35 -0.15 0.00 -0.53 0.00 0.00 54.58 54.25 2ky9 n ASN 10 Cb 0.49 0.17 -0.14 0.00 -2.08 0.00 0.00 39.78 38.21 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2ky9 s THR 11 N -2.68 0.41 0.13 5.53 2.01 -1.21 -4.55 115.64 115.28 2ky9 s THR 11 Ca -0.05 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.33 2ky9 s THR 11 Cb 0.08 -0.37 0.08 0.00 0.01 0.00 0.00 72.50 72.30 2ky9 s THR 11 CO 0.82 0.01 1.07 -0.94 -0.69 0.00 0.00 174.62 174.89 2ky9 s SER 12 N -0.40 -0.07 0.00 3.53 1.04 -1.26 -4.74 113.70 111.80 2ky9 s SER 12 Ca -0.01 -0.45 0.24 0.00 0.48 0.00 0.00 55.95 56.21 2ky9 s SER 12 Cb -0.03 0.42 0.39 0.00 0.10 0.00 0.00 66.02 66.89 2ky9 s SER 12 CO -0.00 -0.80 1.37 1.41 0.98 0.00 0.00 173.24 176.21 2ky9 n HIS 13 N -0.59 0.20 -4.64 5.02 8.25 -1.26 -4.87 115.22 117.33 2ky9 n HIS 13 Ca -0.05 -0.10 -0.33 0.00 -0.26 0.00 0.00 57.72 56.98 2ky9 n HIS 13 Cb 0.60 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.80 3.29 0.27 -0.41 -1.94 -1.26 -5.04 119.30 112.40 2ky9 s MET 14 Ca 0.33 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.58 2ky9 s MET 14 Cb 0.21 -2.63 0.53 0.00 2.01 0.00 0.00 34.83 34.96 2ky9 s MET 14 CO 0.31 0.10 1.78 1.57 -0.01 0.00 0.00 175.02 178.77 2ky9 h LYS 15 N 7.06 0.70 -0.00 2.03 -0.00 -1.94 -1.74 116.57 122.68 2ky9 h LYS 15 Ca -0.29 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 2ky9 h LYS 15 Cb 1.20 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2ky9 h LYS 15 CO 0.56 0.46 -0.14 0.41 -0.00 0.00 0.00 179.45 180.75 2ky9 n GLY 16 N -1.33 -1.28 0.09 0.07 0.00 -1.26 -3.72 105.19 97.75 2ky9 n GLY 16 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.34 0.66 -2.12 1.61 0.00 -0.72 -1.00 117.12 114.21 2ky9 n MET 17 Ca 0.09 0.09 -0.42 0.00 0.00 0.00 0.00 57.70 57.46 2ky9 n MET 17 Cb 0.31 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.88 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ky9 s LYS 18 N -2.63 4.17 0.00 2.12 2.36 -0.83 -2.32 119.74 122.60 2ky9 s LYS 18 Ca -0.08 2.02 0.00 0.00 -2.55 0.00 0.00 55.97 55.36 2ky9 s LYS 18 Cb 0.07 -3.93 0.00 0.00 -1.05 0.00 0.00 37.83 32.92 2ky9 s LYS 18 CO 0.83 -0.84 0.00 0.41 1.55 0.00 0.00 175.35 177.30 2ky9 n GLY 19 N 4.04 0.83 3.91 5.54 0.00 0.53 -5.00 105.19 115.04 2ky9 n GLY 19 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.23 3.32 0.23 4.61 0.00 -0.98 -4.80 121.76 120.91 2ky9 s ALA 20 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 2ky9 s ALA 20 Cb 0.00 -2.66 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 2ky9 s ALA 20 CO 0.00 -0.58 1.03 -2.00 0.00 0.00 0.00 175.76 174.22 2ky9 s GLU 21 N -4.90 4.71 0.20 0.00 2.56 -1.26 -2.09 118.70 117.92 2ky9 s GLU 21 Ca 0.51 1.65 -0.13 0.00 0.00 0.00 0.00 54.97 57.00 2ky9 s GLU 21 Cb -0.10 -3.25 0.01 0.00 2.00 0.00 0.00 34.13 32.78 2ky9 s GLU 21 CO 0.46 0.29 0.43 0.00 -0.56 0.00 0.00 175.26 175.89 2ky9 s ALA 22 N -0.89 -0.40 -0.03 6.30 0.00 0.03 -1.74 121.76 125.02 2ky9 s ALA 22 Ca 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2ky9 s ALA 22 Cb -0.29 0.93 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2ky9 s ALA 22 CO 0.36 -0.77 0.01 0.99 0.00 0.00 0.00 175.76 176.35 2ky9 s THR 23 N -3.95 0.09 -0.59 0.00 2.01 -0.19 -1.09 115.64 111.92 2ky9 s THR 23 Ca 0.16 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 2ky9 s THR 23 Cb 0.00 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.32 2ky9 s THR 23 CO 0.02 0.13 1.34 -0.69 -0.69 0.00 0.00 174.62 174.73 2ky9 s VAL 24 N 1.11 3.84 -2.14 3.82 1.01 -0.12 -1.11 120.40 126.81 2ky9 s VAL 24 Ca -0.09 0.70 0.20 0.00 0.00 0.00 0.00 61.98 62.79 2ky9 s VAL 24 Cb -0.13 -4.57 0.08 0.00 0.00 0.00 0.00 36.38 31.75 2ky9 s VAL 24 CO -0.02 -1.30 1.05 0.35 0.00 0.00 0.00 175.10 175.19 2ky9 n THR 25 N 6.76 0.00 -3.68 3.92 -2.24 0.07 -0.54 114.28 118.55 2ky9 n THR 25 Ca 0.10 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 2ky9 n THR 25 Cb 0.49 1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.94 -0.38 -0.22 3.38 0.00 -0.66 -4.86 107.32 102.64 2ky9 s GLY 26 Ca 0.20 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.23 2ky9 s GLY 26 CO 0.37 1.08 -0.06 0.00 0.00 0.00 0.00 173.10 174.49 2ky9 s ALA 27 N -0.10 1.90 -0.27 3.20 0.00 -1.26 -1.61 121.76 123.62 2ky9 s ALA 27 Ca -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2ky9 s ALA 27 Cb -0.03 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.77 2ky9 s ALA 27 CO 0.02 -1.08 -0.07 0.71 0.00 0.00 0.00 175.76 175.34 2ky9 s TYR 28 N 1.43 3.26 -1.15 0.00 1.51 -0.63 -5.05 117.35 116.73 2ky9 s TYR 28 Ca -0.04 -2.16 -0.09 0.00 -1.01 0.00 0.00 57.07 53.77 2ky9 s TYR 28 Cb -0.18 -1.99 0.25 0.00 -0.11 0.00 0.00 41.96 39.92 2ky9 s TYR 28 CO -0.07 -0.85 1.38 -0.40 -1.11 0.00 0.00 175.55 174.50 2ky9 n ASP 29 N 4.50 5.62 -4.33 2.29 5.75 -1.26 -0.99 116.55 128.13 2ky9 n ASP 29 Ca -0.14 -3.13 -0.17 0.00 -0.01 0.00 0.00 54.79 51.35 2ky9 n ASP 29 Cb 0.43 -1.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.00 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 -0.78 0.73 -0.11 2.12 -1.32 -1.26 -5.02 115.64 110.00 2ky9 s THR 30 Ca 0.35 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.53 2ky9 s THR 30 Cb -0.02 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 2ky9 s THR 30 CO -0.00 -0.08 1.49 -0.89 -2.21 0.00 0.00 174.62 172.92 2ky9 s THR 31 N -3.63 3.88 0.01 5.08 2.01 -1.26 -4.33 115.64 117.41 2ky9 s THR 31 Ca 0.35 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.42 2ky9 s THR 31 Cb 0.08 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2ky9 s THR 31 CO 0.12 -0.11 0.09 0.00 -0.69 0.00 0.00 174.62 174.04 2ky9 s ALA 32 N 3.86 3.60 0.07 7.40 0.00 -0.82 -1.66 121.76 134.21 2ky9 s ALA 32 Ca 0.65 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.78 2ky9 s ALA 32 Cb -0.28 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2ky9 s ALA 32 CO 0.23 0.71 -0.17 0.71 0.00 0.00 0.00 175.76 177.24 2ky9 s TYR 33 N -1.25 1.47 -0.39 0.00 2.02 -0.32 -1.92 117.35 116.97 2ky9 s TYR 33 Ca 0.25 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2ky9 s TYR 33 Cb -0.12 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.63 2ky9 s TYR 33 CO 0.16 0.10 0.25 0.08 -1.57 0.00 0.00 175.55 174.57 2ky9 s VAL 34 N -1.05 4.86 0.38 0.71 1.01 -0.81 -3.80 120.40 121.69 2ky9 s VAL 34 Ca 0.03 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2ky9 s VAL 34 Cb -0.09 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ky9 s VAL 34 CO 0.02 -0.29 0.19 0.68 0.00 0.00 0.00 175.10 175.70 2ky9 s VAL 35 N 1.60 2.73 -0.05 2.92 -7.23 -0.71 -0.06 120.40 119.61 2ky9 s VAL 35 Ca 0.03 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 2ky9 s VAL 35 Cb -0.19 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.79 2ky9 s VAL 35 CO 0.08 -0.10 0.09 -0.94 -0.31 0.00 0.00 175.10 173.92 2ky9 s SER 36 N -3.91 0.32 -0.29 4.85 1.04 -0.60 -0.24 113.70 114.87 2ky9 s SER 36 Ca 0.40 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.85 2ky9 s SER 36 Cb -0.01 0.05 0.10 0.00 0.10 0.00 0.00 66.02 66.27 2ky9 s SER 36 CO 0.23 -0.18 0.75 -0.72 0.98 0.00 0.00 173.24 174.30 2ky9 s TYR 37 N 1.50 -1.01 -0.17 5.02 1.13 -0.66 -2.01 117.35 121.15 2ky9 s TYR 37 Ca -0.05 1.96 -0.29 0.00 -1.41 0.00 0.00 57.07 57.28 2ky9 s TYR 37 Cb -0.12 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 2ky9 s TYR 37 CO -0.04 -0.50 1.50 0.99 -2.51 0.00 0.00 175.55 174.98 2ky9 s THR 38 N 1.79 3.87 0.39 -3.49 2.01 -1.26 -0.94 115.64 118.01 2ky9 s THR 38 Ca -0.09 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.66 2ky9 s THR 38 Cb -0.06 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2ky9 s THR 38 CO -0.19 -0.20 1.47 -2.65 -0.69 0.00 0.00 174.62 172.35 2ky9 n PRO 39 N 7.19 2.56 0.19 4.92 -0.02 -1.26 -4.77 135.00 143.80 2ky9 n PRO 39 Ca 0.17 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.68 2ky9 n PRO 39 Cb 0.45 -2.65 0.65 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.78 0.00 0.00 3.45 1.35 -1.47 -1.69 112.91 117.33 2ky9 h THR 40 Ca -0.51 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2ky9 h THR 40 Cb 1.25 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2ky9 h THR 40 CO 0.63 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.44 2ky9 n ASN 41 N -2.46 0.00 -0.63 5.36 6.94 -1.26 -4.91 115.26 118.30 2ky9 n ASN 41 Ca -0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 2ky9 n ASN 41 Cb 0.14 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ky9 n GLY 42 N 1.22 0.66 3.17 4.83 0.00 -0.64 -5.08 105.19 109.35 2ky9 n GLY 42 Ca 0.13 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.63 0.86 3.68 -0.02 0.00 -1.19 -5.04 105.19 102.86 2ky9 n GLY 43 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 -4.53 4.19 -0.32 1.61 0.74 -1.26 -4.50 119.66 115.59 2ky9 s GLN 44 Ca 0.53 2.30 -0.35 0.00 0.05 0.00 0.00 55.36 57.90 2ky9 s GLN 44 Cb -0.03 -3.75 -0.11 0.00 1.10 0.00 0.00 33.01 30.22 2ky9 s GLN 44 CO 0.35 -0.78 2.15 -2.13 -0.55 0.00 0.00 175.29 174.34 2ky9 n ARG 45 N 6.15 1.23 -2.90 1.67 0.63 -1.26 -4.48 116.66 117.70 2ky9 n ARG 45 Ca 0.16 0.35 -0.43 0.00 -0.92 0.00 0.00 57.85 57.01 2ky9 n ARG 45 Cb 0.41 -2.53 -0.04 0.00 0.45 0.00 0.00 32.46 30.75 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ky9 s VAL 46 N 7.04 4.44 -0.03 5.15 1.01 -0.11 -4.90 120.40 133.00 2ky9 s VAL 46 Ca 1.07 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2ky9 s VAL 46 Cb -0.81 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 30.95 2ky9 s VAL 46 CO 0.49 -1.24 0.24 -1.81 0.00 0.00 0.00 175.10 172.78 2ky9 s ASP 47 N 3.25 6.49 -1.49 3.32 1.01 -1.26 -1.66 116.67 126.33 2ky9 s ASP 47 Ca 0.24 0.56 -0.04 0.00 0.71 0.00 0.00 52.55 54.02 2ky9 s ASP 47 Cb -0.16 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.69 2ky9 s ASP 47 CO 0.13 0.30 0.43 1.41 0.21 0.00 0.00 175.17 177.66 2ky9 n HIS 48 N 1.41 -1.73 -1.88 4.23 8.25 -0.82 -4.92 115.22 119.75 2ky9 n HIS 48 Ca -0.14 0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 2ky9 n HIS 48 Cb 0.53 -3.95 -0.02 0.00 1.12 0.00 0.00 29.99 27.67 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 -3.05 2.95 0.01 4.41 5.04 0.66 -4.71 115.29 120.59 2ky9 s HIS 49 Ca 0.25 0.73 -0.22 0.00 -1.54 0.00 0.00 55.06 54.27 2ky9 s HIS 49 Cb -0.12 -3.97 0.05 0.00 0.04 0.00 0.00 32.58 28.58 2ky9 s HIS 49 CO 0.30 -3.41 0.49 -1.59 -2.34 0.00 0.00 174.74 168.19 2ky9 s LYS 50 N 0.32 0.93 -0.20 2.88 -2.85 -1.26 -1.74 119.74 117.82 2ky9 s LYS 50 Ca 0.66 -0.12 -0.06 0.00 -1.00 0.00 0.00 55.97 55.45 2ky9 s LYS 50 Cb -0.45 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 2ky9 s LYS 50 CO 0.39 -0.30 0.03 -1.58 0.10 0.00 0.00 175.35 173.99 2ky9 s TRP 51 N -1.84 3.12 -0.10 1.78 0.52 -1.26 -4.94 118.94 116.21 2ky9 s TRP 51 Ca -0.09 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 55.81 2ky9 s TRP 51 Cb -0.02 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2ky9 s TRP 51 CO 0.03 -0.10 -0.13 0.14 0.02 0.00 0.00 176.95 176.91 2ky9 s VAL 52 N 0.84 3.09 0.25 4.03 -7.23 -1.25 -4.25 120.40 115.88 2ky9 s VAL 52 Ca 0.02 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2ky9 s VAL 52 Cb -0.14 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2ky9 s VAL 52 CO 0.02 0.55 0.42 0.27 -0.31 0.00 0.00 175.10 176.05 2ky9 s ILE 53 N -0.05 5.20 0.37 -0.62 -4.36 -1.26 -1.17 121.20 119.30 2ky9 s ILE 53 Ca -0.03 -0.58 0.10 0.00 -0.26 0.00 0.00 60.65 59.88 2ky9 s ILE 53 Cb -0.14 -3.80 0.32 0.00 1.25 0.00 0.00 42.46 40.09 2ky9 s ILE 53 CO 0.04 -0.32 1.89 -0.61 0.24 0.00 0.00 174.94 176.17 2ky9 h GLN 54 N 1.43 0.64 0.00 0.37 4.15 -1.69 -1.96 115.11 118.05 2ky9 h GLN 54 Ca -0.50 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2ky9 h GLN 54 Cb 1.21 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2ky9 h GLN 54 CO 0.64 0.42 0.00 0.39 -1.93 0.00 0.00 178.83 178.35 2ky9 n GLU 55 N -4.54 0.19 0.05 1.69 4.71 -1.26 -2.41 120.64 119.07 2ky9 n GLU 55 Ca 0.16 0.39 0.11 0.00 -0.01 0.00 0.00 57.16 57.82 2ky9 n GLU 55 Cb 0.45 -1.84 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 2ky9 n GLU 55 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2ky9 n GLU 56 N -2.19 0.61 -3.24 3.49 2.13 -0.74 -4.91 120.64 115.79 2ky9 n GLU 56 Ca 0.02 -0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2ky9 n GLU 56 Cb 0.24 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.21 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 -3.42 4.83 -0.02 6.31 1.01 -1.01 -3.62 121.20 125.27 2ky9 s ILE 57 Ca -0.04 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.63 2ky9 s ILE 57 Cb 0.12 -3.92 -0.25 0.00 0.01 0.00 0.00 42.46 38.42 2ky9 s ILE 57 CO 0.84 0.48 1.04 0.50 0.00 0.00 0.00 174.94 177.80 2ky9 h LYS 58 N 5.12 0.32 0.00 2.79 3.64 -1.79 -3.28 116.57 123.38 2ky9 h LYS 58 Ca -0.47 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 2ky9 h LYS 58 Cb 1.21 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2ky9 h LYS 58 CO 0.67 1.08 0.00 -3.47 -2.27 0.00 0.00 179.45 175.46 2ky9 n ASP 59 N -4.28 0.00 -0.15 4.20 2.03 -1.26 -4.03 116.55 113.06 2ky9 n ASP 59 Ca -0.11 0.46 -0.06 0.00 0.52 0.00 0.00 54.79 55.60 2ky9 n ASP 59 Cb 0.65 -0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.53 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 2.44 -0.36 -0.26 -1.67 0.00 -1.83 -3.47 119.26 114.12 2ky9 h ALA 60 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2ky9 h ALA 60 Cb 0.20 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2ky9 h ALA 60 CO 0.00 -0.54 -0.10 0.41 0.00 0.00 0.00 179.25 179.02 2ky9 n GLY 61 N -1.14 0.64 2.69 0.00 0.00 -1.26 -1.79 105.19 104.34 2ky9 n GLY 61 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 -5.29 -4.94 1.61 9.92 -1.26 -5.02 116.55 110.93 2ky9 n ASP 62 Ca -0.05 0.16 -0.26 0.00 -0.53 0.00 0.00 54.79 54.11 2ky9 n ASP 62 Cb 0.41 -3.38 -0.03 0.00 -0.64 0.00 0.00 41.12 37.48 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 -2.34 3.46 -0.41 -1.24 -2.85 -0.74 -5.06 119.74 110.58 2ky9 s LYS 63 Ca 0.00 -0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 54.16 2ky9 s LYS 63 Cb 0.00 -2.92 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 2ky9 s LYS 63 CO 0.00 0.47 1.55 0.99 0.10 0.00 0.00 175.35 178.47 2ky9 s THR 64 N -1.80 3.74 0.24 3.79 2.01 -1.26 -4.94 115.64 117.41 2ky9 s THR 64 Ca 0.36 0.73 -0.17 0.00 0.31 0.00 0.00 61.69 62.92 2ky9 s THR 64 Cb -0.11 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 2ky9 s THR 64 CO 0.29 -0.69 0.69 -0.76 -0.69 0.00 0.00 174.62 173.46 2ky9 s LEU 65 N 6.09 4.26 0.19 4.42 1.43 -1.26 -5.11 118.68 128.71 2ky9 s LEU 65 Ca 0.67 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2ky9 s LEU 65 Cb -0.16 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2ky9 s LEU 65 CO 0.32 -0.02 0.11 -1.10 0.23 0.00 0.00 176.35 175.89 2ky9 s GLN 66 N -2.27 1.17 -0.46 1.70 -0.21 -1.26 -4.63 119.66 113.71 2ky9 s GLN 66 Ca 0.45 -1.61 -0.40 0.00 0.02 0.00 0.00 55.36 53.82 2ky9 s GLN 66 Cb -0.14 0.20 -0.16 0.00 1.00 0.00 0.00 33.01 33.90 2ky9 s GLN 66 CO 0.20 -0.35 2.18 -0.35 -2.12 0.00 0.00 175.29 174.84 2ky9 n PRO 67 N -0.26 0.39 0.00 2.91 -0.04 -1.25 -1.83 135.00 134.93 2ky9 n PRO 67 Ca 0.00 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2ky9 n PRO 67 Cb 0.66 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2ky9 n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ky9 n GLY 68 N 7.12 2.10 3.67 0.55 0.00 -0.42 -5.02 105.19 113.18 2ky9 n GLY 68 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.89 6.64 -0.27 1.61 1.11 -0.76 -4.85 116.67 118.27 2ky9 s ASP 69 Ca 0.00 2.32 -0.20 0.00 0.18 0.00 0.00 52.55 54.84 2ky9 s ASP 69 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 2ky9 s ASP 69 CO 0.00 -0.93 0.63 -1.58 1.18 0.00 0.00 175.17 174.48 2ky9 s GLN 70 N 3.82 4.06 0.34 8.23 2.00 -1.26 -1.46 119.66 135.38 2ky9 s GLN 70 Ca 0.75 0.49 0.06 0.00 -2.00 0.00 0.00 55.36 54.66 2ky9 s GLN 70 Cb -0.35 -3.67 -0.07 0.00 0.80 0.00 0.00 33.01 29.72 2ky9 s GLN 70 CO 0.31 -0.46 -0.01 0.14 -0.50 0.00 0.00 175.29 174.78 2ky9 s VAL 71 N 2.54 1.68 -0.04 1.34 -7.23 -0.16 -4.98 120.40 113.55 2ky9 s VAL 71 Ca 0.26 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2ky9 s VAL 71 Cb -0.15 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 2ky9 s VAL 71 CO 0.09 -0.10 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.92 2ky9 s ILE 72 N -2.96 2.27 -0.45 -0.62 -1.09 -1.26 -1.22 121.20 115.87 2ky9 s ILE 72 Ca 0.34 -1.01 -0.20 0.00 -2.23 0.00 0.00 60.65 57.54 2ky9 s ILE 72 Cb 0.07 -1.82 0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2ky9 s ILE 72 CO 0.15 0.58 0.63 -0.76 -1.23 0.00 0.00 174.94 174.31 2ky9 s LEU 73 N -0.43 4.58 0.00 2.97 1.43 -0.93 -2.59 118.68 123.71 2ky9 s LEU 73 Ca 0.05 -0.44 0.28 0.00 -1.03 0.00 0.00 54.13 52.98 2ky9 s LEU 73 Cb -0.12 -2.67 1.02 0.00 0.03 0.00 0.00 46.19 44.45 2ky9 s LEU 73 CO 0.01 -0.79 1.77 -0.62 0.23 0.00 0.00 176.35 176.95 2ky9 n GLU 74 N 6.23 0.01 -3.03 1.70 -0.58 -1.24 -1.25 120.64 122.48 2ky9 n GLU 74 Ca -0.03 -0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.54 2ky9 n GLU 74 Cb 0.47 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.86 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ky9 s ALA 75 N -2.99 4.53 -0.08 0.62 0.00 -1.26 -4.83 121.76 117.75 2ky9 s ALA 75 Ca 0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 2ky9 s ALA 75 Cb 0.19 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2ky9 s ALA 75 CO 0.58 -0.32 0.16 0.45 0.00 0.00 0.00 175.76 176.64 2ky9 s SER 76 N -4.36 0.26 0.00 0.00 0.15 -1.26 -2.43 113.70 106.05 2ky9 s SER 76 Ca 0.55 0.34 0.18 0.00 0.70 0.00 0.00 55.95 57.73 2ky9 s SER 76 Cb -0.10 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2ky9 s SER 76 CO 0.33 -0.19 0.94 1.41 1.20 0.00 0.00 173.24 176.92 2ky9 n HIS 77 N 4.72 0.00 -3.65 3.44 8.25 -1.26 -4.96 115.22 121.77 2ky9 n HIS 77 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 2ky9 n HIS 77 Cb 0.51 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.09 0.49 -1.62 -0.41 0.00 -1.26 -5.11 117.12 109.12 2ky9 n MET 78 Ca 0.08 -1.05 -0.43 0.00 0.00 0.00 0.00 57.70 56.29 2ky9 n MET 78 Cb 0.38 1.38 -0.03 0.00 0.00 0.00 0.00 33.22 34.95 2ky9 n MET 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2ky9 n LYS 79 N -0.41 2.29 -1.88 3.17 4.01 -1.26 -3.49 118.16 120.59 2ky9 n LYS 79 Ca -0.03 0.74 -0.06 0.00 -0.51 0.00 0.00 58.31 58.45 2ky9 n LYS 79 Cb 0.36 -3.10 -0.01 0.00 -0.51 0.00 0.00 35.03 31.78 2ky9 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ky9 n GLY 80 N 5.27 0.31 0.13 0.72 0.00 -1.26 -4.68 105.19 105.68 2ky9 n GLY 80 Ca 0.26 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2ky9 n GLY 80 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 81 N 0.00 0.35 -6.62 1.61 -1.53 -1.86 -0.95 114.93 105.93 2ky9 h MET 81 Ca -0.15 -0.60 -0.53 0.00 -3.44 0.00 0.00 59.70 54.98 2ky9 h MET 81 Cb 0.93 0.22 0.04 0.00 -0.55 0.00 0.00 31.60 32.25 2ky9 h MET 81 CO 0.19 1.29 0.83 0.21 0.14 0.00 0.00 176.91 179.57 2ky9 s LYS 82 N -2.52 4.24 0.00 0.39 2.20 -1.02 -2.58 119.74 120.46 2ky9 s LYS 82 Ca -0.16 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 2ky9 s LYS 82 Cb 0.04 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2ky9 s LYS 82 CO 0.84 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 2ky9 n GLY 83 N 3.43 1.07 3.76 5.54 0.00 -0.38 -4.91 105.19 113.70 2ky9 n GLY 83 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.60 3.39 -0.24 4.61 0.00 -1.07 -4.86 121.76 121.00 2ky9 s ALA 84 Ca 0.00 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 2ky9 s ALA 84 Cb 0.00 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 2ky9 s ALA 84 CO 0.00 -0.09 0.87 0.99 0.00 0.00 0.00 175.76 177.53 2ky9 s THR 85 N -1.10 4.81 0.31 0.00 2.01 -1.26 -2.20 115.64 118.22 2ky9 s THR 85 Ca 0.44 1.66 0.10 0.00 0.31 0.00 0.00 61.69 64.20 2ky9 s THR 85 Cb -0.31 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 2ky9 s THR 85 CO 0.39 -0.09 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 2ky9 s ALA 86 N 2.90 3.03 -0.05 7.40 0.00 -0.35 -4.57 121.76 130.12 2ky9 s ALA 86 Ca 0.37 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.44 2ky9 s ALA 86 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2ky9 s ALA 86 CO 0.07 0.15 -0.15 -2.00 0.00 0.00 0.00 175.76 173.84 2ky9 s GLU 87 N -3.63 1.63 -0.46 0.00 2.12 -0.85 -0.98 118.70 116.51 2ky9 s GLU 87 Ca 0.33 -0.51 -0.27 0.00 0.36 0.00 0.00 54.97 54.87 2ky9 s GLU 87 Cb -0.02 -1.40 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 2ky9 s GLU 87 CO 0.18 0.17 1.95 0.42 -0.54 0.00 0.00 175.26 177.44 2ky9 s ILE 88 N 0.22 3.32 0.14 -3.70 -1.09 -0.54 -1.56 121.20 117.99 2ky9 s ILE 88 Ca -0.06 0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 2ky9 s ILE 88 Cb -0.12 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2ky9 s ILE 88 CO 0.02 -0.52 1.48 -0.78 -1.23 0.00 0.00 174.94 173.92 2ky9 h ASP 89 N 14.99 0.95 -4.89 3.58 3.58 -0.78 -1.10 116.42 132.74 2ky9 h ASP 89 Ca -0.29 -0.44 -0.09 0.00 0.42 0.00 0.00 57.03 56.62 2ky9 h ASP 89 Cb 1.19 -0.26 -0.20 0.00 1.72 0.00 0.00 39.33 41.77 2ky9 h ASP 89 CO 1.12 1.19 -0.05 -0.44 -2.88 0.00 0.00 179.24 178.19 2ky9 s SER 90 N -6.72 -0.44 -0.17 2.28 0.01 -1.17 -4.34 113.70 103.16 2ky9 s SER 90 Ca -0.11 0.47 -0.06 0.00 1.31 0.00 0.00 55.95 57.55 2ky9 s SER 90 Cb 0.11 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2ky9 s SER 90 CO 0.86 -0.50 0.04 0.00 0.41 0.00 0.00 173.24 174.06 2ky9 s ALA 91 N -1.11 3.32 -0.11 1.44 0.00 -1.26 -1.93 121.76 122.11 2ky9 s ALA 91 Ca -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2ky9 s ALA 91 Cb -0.03 -1.81 0.05 0.00 0.00 0.00 0.00 23.12 21.33 2ky9 s ALA 91 CO 0.06 0.22 0.10 -2.00 0.00 0.00 0.00 175.76 174.15 2ky9 s GLU 92 N 0.26 0.01 -0.81 0.00 2.12 -0.81 -5.02 118.70 114.44 2ky9 s GLU 92 Ca 0.02 0.22 -0.20 0.00 0.36 0.00 0.00 54.97 55.37 2ky9 s GLU 92 Cb -0.13 -1.03 0.11 0.00 0.26 0.00 0.00 34.13 33.34 2ky9 s GLU 92 CO 0.01 -0.48 1.05 0.15 -0.54 0.00 0.00 175.26 175.45 2ky9 s LYS 93 N 2.19 3.39 0.05 4.30 -0.14 -1.26 -1.95 119.74 126.31 2ky9 s LYS 93 Ca 0.04 -1.38 0.01 0.00 -1.36 0.00 0.00 55.97 53.27 2ky9 s LYS 93 Cb -0.14 -4.64 -0.03 0.00 -1.68 0.00 0.00 37.83 31.34 2ky9 s LYS 93 CO -0.06 -1.79 -0.05 -0.08 -0.76 0.00 0.00 175.35 172.61 2ky9 s THR 94 N 3.25 0.38 -0.08 2.17 -1.32 -1.26 -5.03 115.64 113.75 2ky9 s THR 94 Ca 0.28 -1.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.14 2ky9 s THR 94 Cb -0.10 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2ky9 s THR 94 CO -0.02 -0.65 0.81 -0.89 -2.21 0.00 0.00 174.62 171.67 2ky9 s THR 95 N -2.40 4.95 -0.11 5.08 2.01 -1.26 -4.25 115.64 119.67 2ky9 s THR 95 Ca -0.04 1.66 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 2ky9 s THR 95 Cb -0.03 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2ky9 s THR 95 CO -0.03 0.17 -0.09 0.68 -0.69 0.00 0.00 174.62 174.65 2ky9 s VAL 96 N 1.23 3.48 -0.04 3.82 -7.23 -0.16 -2.31 120.40 119.19 2ky9 s VAL 96 Ca 0.42 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 60.10 2ky9 s VAL 96 Cb -0.18 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2ky9 s VAL 96 CO 0.19 0.55 -0.18 -0.31 -0.31 0.00 0.00 175.10 175.04 2ky9 s TYR 97 N -0.17 2.58 -0.40 2.82 2.02 0.01 -1.60 117.35 122.61 2ky9 s TYR 97 Ca 0.01 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 2ky9 s TYR 97 Cb -0.13 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 2ky9 s TYR 97 CO 0.03 0.12 0.71 1.41 -1.57 0.00 0.00 175.55 176.25 2ky9 s MET 98 N -0.73 3.54 0.06 -0.62 -2.45 -0.63 -3.05 119.30 115.43 2ky9 s MET 98 Ca 0.11 -0.02 0.08 0.00 -1.25 0.00 0.00 55.69 54.61 2ky9 s MET 98 Cb -0.10 -3.87 -0.03 0.00 1.25 0.00 0.00 34.83 32.07 2ky9 s MET 98 CO 0.00 -0.92 -0.23 0.14 1.05 0.00 0.00 175.02 175.06 2ky9 s VAL 99 N 2.97 1.89 -0.33 10.11 -7.23 -1.02 -0.76 120.40 126.04 2ky9 s VAL 99 Ca 0.27 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 2ky9 s VAL 99 Cb -0.13 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2ky9 s VAL 99 CO 0.18 0.21 0.22 -1.81 -0.31 0.00 0.00 175.10 173.60 2ky9 s ASP 100 N -1.38 5.96 0.18 4.85 1.11 -0.27 -0.60 116.67 126.52 2ky9 s ASP 100 Ca 0.09 -0.42 0.07 0.00 0.18 0.00 0.00 52.55 52.47 2ky9 s ASP 100 Cb -0.09 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.74 2ky9 s ASP 100 CO 0.03 -0.22 -0.14 -0.72 1.18 0.00 0.00 175.17 175.30 2ky9 s TYR 101 N 1.70 1.57 -0.45 4.23 1.13 -0.81 -1.02 117.35 123.71 2ky9 s TYR 101 Ca 0.06 -0.60 -0.12 0.00 -1.41 0.00 0.00 57.07 55.00 2ky9 s TYR 101 Cb -0.17 -0.76 0.08 0.00 -1.10 0.00 0.00 41.96 40.01 2ky9 s TYR 101 CO 0.10 0.26 0.32 0.99 -2.51 0.00 0.00 175.55 174.72 2ky9 s THR 102 N -2.85 4.59 -0.25 -3.49 2.01 -0.71 -1.07 115.64 113.87 2ky9 s THR 102 Ca 0.19 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.56 2ky9 s THR 102 Cb -0.01 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2ky9 s THR 102 CO 0.05 -0.58 2.24 -0.24 -0.69 0.00 0.00 174.62 175.40 2ky9 n SER 103 N 5.02 3.14 0.14 3.53 2.88 0.44 -4.37 113.62 124.40 2ky9 n SER 103 Ca -0.11 0.15 0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2ky9 n SER 103 Cb 0.43 -1.55 0.51 0.00 -0.75 0.00 0.00 64.21 62.85 2ky9 n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ky9 n THR 104 N 7.77 1.09 0.36 2.46 -2.24 -0.17 -0.83 114.28 122.71 2ky9 n THR 104 Ca 0.31 0.60 -0.18 0.00 -2.27 0.00 0.00 64.05 62.51 2ky9 n THR 104 Cb 0.45 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.01 2ky9 n THR 104 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ky9 h THR 105 N 0.00 0.26 0.00 4.28 2.02 -1.90 -3.39 112.91 114.17 2ky9 h THR 105 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ky9 h THR 105 Cb 0.08 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2ky9 h THR 105 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 2ky9 n SER 106 N -5.51 0.54 0.00 4.18 3.41 -1.16 -4.99 113.62 110.09 2ky9 n SER 106 Ca -0.13 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2ky9 n SER 106 Cb 0.40 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ky9 n GLY 107 N 0.14 0.54 3.61 5.00 0.00 -0.01 -5.02 105.19 109.46 2ky9 n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ky9 n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ky9 n GLU 108 N -2.91 2.19 -3.11 1.61 2.13 -1.15 -4.71 120.64 114.68 2ky9 n GLU 108 Ca 0.00 0.68 -0.40 0.00 0.66 0.00 0.00 57.16 58.10 2ky9 n GLU 108 Cb 0.00 -3.12 -0.05 0.00 0.27 0.00 0.00 31.44 28.53 2ky9 n GLU 108 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2ky9 s LYS 109 N 5.74 4.28 -0.09 5.31 -2.85 -1.26 -0.42 119.74 130.46 2ky9 s LYS 109 Ca 0.98 0.67 0.04 0.00 -1.00 0.00 0.00 55.97 56.66 2ky9 s LYS 109 Cb -0.40 -3.53 -0.01 0.00 -2.06 0.00 0.00 37.83 31.83 2ky9 s LYS 109 CO 0.38 -0.13 -0.23 0.08 0.10 0.00 0.00 175.35 175.55 2ky9 s VAL 110 N 1.53 2.20 -0.14 1.79 1.01 -0.23 -5.01 120.40 121.55 2ky9 s VAL 110 Ca 0.31 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2ky9 s VAL 110 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2ky9 s VAL 110 CO 0.12 0.56 0.02 -1.59 0.00 0.00 0.00 175.10 174.21 2ky9 s LYS 111 N 0.12 3.56 -1.19 2.72 0.00 -1.26 -1.92 119.74 121.76 2ky9 s LYS 111 Ca -0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 55.97 55.39 2ky9 s LYS 111 Cb -0.16 -2.99 -0.02 0.00 0.00 0.00 0.00 37.83 34.66 2ky9 s LYS 111 CO 0.06 0.42 0.81 0.09 0.00 0.00 0.00 175.35 176.74 2ky9 n ASN 112 N 3.03 -3.59 -4.77 0.03 5.03 -1.22 -4.95 115.26 108.82 2ky9 n ASN 112 Ca -0.18 -0.81 -0.40 0.00 0.87 0.00 0.00 54.58 54.06 2ky9 n ASN 112 Cb 0.53 -4.33 -0.00 0.00 -1.02 0.00 0.00 39.78 34.96 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 -3.52 2.73 -0.04 3.10 5.65 0.23 -4.80 115.29 118.65 2ky9 s HIS 113 Ca 0.22 1.34 -0.00 0.00 0.25 0.00 0.00 55.06 56.87 2ky9 s HIS 113 Cb -0.05 -3.78 0.03 0.00 -1.18 0.00 0.00 32.58 27.59 2ky9 s HIS 113 CO 0.80 -2.39 0.01 0.15 -0.65 0.00 0.00 174.74 172.65 2ky9 s LYS 114 N -2.21 0.31 0.34 2.88 1.02 -1.26 -2.42 119.74 118.41 2ky9 s LYS 114 Ca 0.56 0.11 0.09 0.00 0.02 0.00 0.00 55.97 56.75 2ky9 s LYS 114 Cb -0.41 -0.56 -0.07 0.00 -0.52 0.00 0.00 37.83 36.28 2ky9 s LYS 114 CO 0.53 -0.18 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.12 2ky9 s TRP 115 N 1.27 2.37 0.34 3.18 0.52 -1.26 -4.92 118.94 120.45 2ky9 s TRP 115 Ca -0.06 -0.54 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2ky9 s TRP 115 Cb -0.13 -1.40 -0.07 0.00 -1.15 0.00 0.00 33.47 30.72 2ky9 s TRP 115 CO -0.02 0.54 0.00 0.14 0.02 0.00 0.00 176.95 177.63 2ky9 s VAL 116 N -2.66 1.67 0.41 4.03 -7.23 -1.17 -4.52 120.40 110.93 2ky9 s VAL 116 Ca 0.33 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 2ky9 s VAL 116 Cb 0.03 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 2ky9 s VAL 116 CO 0.16 -0.09 0.07 0.42 -0.31 0.00 0.00 175.10 175.36 2ky9 s THR 117 N -2.97 2.13 0.28 5.32 -4.23 -1.26 -0.81 115.64 114.10 2ky9 s THR 117 Ca 0.34 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2ky9 s THR 117 Cb 0.07 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.19 2ky9 s THR 117 CO 0.16 -0.01 1.80 -0.08 -0.54 0.00 0.00 174.62 175.95 2ky9 h GLU 118 N 1.64 0.80 0.00 3.99 4.57 -1.82 -1.41 114.58 122.36 2ky9 h GLU 118 Ca -0.43 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.66 2ky9 h GLU 118 Cb 1.24 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2ky9 h GLU 118 CO 0.76 0.53 -0.17 -0.44 -1.18 0.00 0.00 179.01 178.51 2ky9 h ASP 119 N 0.83 0.00 -0.03 1.04 5.19 -1.96 -2.58 116.42 118.91 2ky9 h ASP 119 Ca 0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2ky9 h ASP 119 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2ky9 h ASP 119 CO -0.32 0.17 0.00 -0.62 -3.12 0.00 0.00 179.24 175.36 2ky9 n GLU 120 N -4.25 1.94 -4.36 3.56 1.02 -0.57 -4.78 120.64 113.19 2ky9 n GLU 120 Ca -0.02 -1.36 -0.28 0.00 -0.02 0.00 0.00 57.16 55.48 2ky9 n GLU 120 Cb 0.24 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.98 2.60 -0.12 -4.62 1.43 -0.96 -1.34 118.68 113.69 2ky9 s LEU 121 Ca 0.34 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2ky9 s LEU 121 Cb 0.21 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 45.11 2ky9 s LEU 121 CO 0.32 0.14 0.26 -0.44 0.23 0.00 0.00 176.35 176.86 2ky9 s SER 122 N -2.49 0.17 -0.34 2.29 0.01 -0.54 -4.84 113.70 107.95 2ky9 s SER 122 Ca 0.20 0.58 -0.27 0.00 1.31 0.00 0.00 55.95 57.77 2ky9 s SER 122 Cb -0.09 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 2ky9 s SER 122 CO 0.11 -0.22 2.31 0.00 0.41 0.00 0.00 173.24 175.85 2ky9 n ALA 123 N 5.02 1.34 -3.12 1.44 0.00 -1.26 -1.02 120.51 122.90 2ky9 n ALA 123 Ca -0.12 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 2ky9 n ALA 123 Cb 0.51 -3.05 0.01 0.00 0.00 0.00 0.00 19.45 16.92 2ky9 n ALA 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ky9 n LYS 124 N 8.87 -1.20 -2.01 0.00 3.00 -1.00 -4.86 118.16 120.96 2ky9 n LYS 124 Ca 0.33 0.72 -0.42 0.00 -0.00 0.00 0.00 58.31 58.95 2ky9 n LYS 124 Cb 0.49 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 34.02 2ky9 n LYS 124 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2ky9 s LEU 125 N -3.04 4.34 0.10 3.14 2.96 -1.14 -4.88 118.68 120.15 2ky9 s LEU 125 Ca 0.12 2.33 -0.31 0.00 -0.22 0.00 0.00 54.13 56.05 2ky9 s LEU 125 Cb -0.01 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2ky9 s LEU 125 CO 0.62 -0.86 1.88 -1.83 -1.32 0.00 0.00 176.35 174.84 2ky9 s GLU 126 N 3.04 4.14 -0.03 1.98 1.03 -1.26 -4.84 118.70 122.75 2ky9 s GLU 126 Ca 0.72 2.61 -0.35 0.00 0.03 0.00 0.00 54.97 57.97 2ky9 s GLU 126 Cb -0.36 -3.78 -0.13 0.00 -0.80 0.00 0.00 34.13 29.06 2ky9 s GLU 126 CO 0.30 -0.88 1.73 -2.39 -1.33 0.00 0.00 175.26 172.69 2ky9 n HIS 127 N 6.28 2.21 -3.66 4.83 1.44 -1.26 -5.00 115.22 120.06 2ky9 n HIS 127 Ca 0.18 0.20 -0.07 0.00 -2.01 0.00 0.00 57.72 56.03 2ky9 n HIS 127 Cb 0.39 -2.57 -0.08 0.00 0.12 0.00 0.00 29.99 27.85 2ky9 n HIS 127 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2ky9 s HIS 128 N 2.84 -0.94 0.31 -1.40 5.04 -1.26 -5.18 115.29 114.70 2ky9 s HIS 128 Ca 0.89 1.77 0.01 0.00 -1.54 0.00 0.00 55.06 56.19 2ky9 s HIS 128 Cb -0.77 0.47 -0.02 0.00 0.04 0.00 0.00 32.58 32.31 2ky9 s HIS 128 CO 0.50 -0.52 0.36 -3.38 -2.34 0.00 0.00 174.74 169.36 2ky9 s HIS 129 N 2.41 1.29 0.28 3.88 -3.43 -1.26 -5.13 115.29 113.33 2ky9 s HIS 129 Ca -0.05 -1.41 -0.20 0.00 -0.80 0.00 0.00 55.06 52.60 2ky9 s HIS 129 Cb -0.11 -0.36 0.02 0.00 -1.43 0.00 0.00 32.58 30.70 2ky9 s HIS 129 CO -0.15 -0.96 0.70 -3.38 -2.00 0.00 0.00 174.74 168.94 2ky9 s HIS 130 N -3.40 -0.14 -0.64 0.38 -3.43 -1.26 -5.11 115.29 101.69 2ky9 s HIS 130 Ca 0.35 -0.32 -0.26 0.00 -0.80 0.00 0.00 55.06 54.03 2ky9 s HIS 130 Cb 0.02 0.67 -0.05 0.00 -1.43 0.00 0.00 32.58 31.78 2ky9 s HIS 130 CO 0.21 -1.22 2.09 -1.01 -2.00 0.00 0.00 174.74 172.81 2ky9 s HIS 131 N -3.91 1.45 0.00 0.38 3.76 -1.26 -5.34 115.29 110.38 2ky9 s HIS 131 Ca 0.12 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 2ky9 s HIS 131 Cb -0.06 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.77 2ky9 s HIS 131 CO 0.07 -2.22 0.00 1.58 -0.85 0.00 0.00 174.74 173.32