#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 3.32 0.06 0.03 3.01 -1.26 -4.92 119.74 119.97 2ky9 s LYS 2 Ca 0.00 -0.42 -0.31 0.00 -1.01 0.00 0.00 55.97 54.24 2ky9 s LYS 2 Cb 0.00 -2.63 -0.08 0.00 -1.01 0.00 0.00 37.83 34.11 2ky9 s LYS 2 CO 0.00 -0.01 1.60 0.08 0.51 0.00 0.00 175.35 177.53 2ky9 s VAL 3 N -2.40 3.16 0.00 3.17 1.01 -1.26 -2.52 120.40 121.56 2ky9 s VAL 3 Ca 0.43 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2ky9 s VAL 3 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2ky9 s VAL 3 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ky9 n GLY 4 N 3.91 0.65 3.71 4.51 0.00 0.01 -5.02 105.19 112.96 2ky9 n GLY 4 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ky9 s SER 5 N -1.96 7.05 -0.31 1.61 0.01 -1.05 -4.82 113.70 114.23 2ky9 s SER 5 Ca 0.00 2.05 -0.13 0.00 1.31 0.00 0.00 55.95 59.18 2ky9 s SER 5 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2ky9 s SER 5 CO 0.00 -0.50 0.25 -1.10 0.41 0.00 0.00 173.24 172.30 2ky9 s GLN 6 N 1.12 3.70 0.08 12.44 -0.21 -1.26 -1.91 119.66 133.62 2ky9 s GLN 6 Ca 0.59 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 55.55 2ky9 s GLN 6 Cb -0.30 -3.75 -0.03 0.00 1.00 0.00 0.00 33.01 29.93 2ky9 s GLN 6 CO 0.29 -0.35 -0.09 0.14 -2.12 0.00 0.00 175.29 173.16 2ky9 s VAL 7 N 1.81 0.77 -0.23 1.09 -7.23 -0.45 -4.07 120.40 112.09 2ky9 s VAL 7 Ca 0.08 -1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 58.67 2ky9 s VAL 7 Cb -0.17 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2ky9 s VAL 7 CO 0.11 -0.53 0.14 -0.63 -0.31 0.00 0.00 175.10 173.88 2ky9 s ILE 8 N -2.20 5.28 -0.01 -0.62 -1.09 0.88 -0.28 121.20 123.16 2ky9 s ILE 8 Ca 0.01 0.15 -0.26 0.00 -2.23 0.00 0.00 60.65 58.32 2ky9 s ILE 8 Cb -0.04 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2ky9 s ILE 8 CO -0.01 0.37 0.81 -0.63 -1.23 0.00 0.00 174.94 174.26 2ky9 s ILE 9 N 0.87 4.88 -0.24 2.92 1.01 -0.63 -1.02 121.20 128.99 2ky9 s ILE 9 Ca 0.07 1.70 -0.17 0.00 0.00 0.00 0.00 60.65 62.26 2ky9 s ILE 9 Cb -0.13 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.05 2ky9 s ILE 9 CO 0.03 0.26 -0.16 -0.46 0.00 0.00 0.00 174.94 174.61 2ky9 n ASN 10 N 3.48 1.92 -4.84 3.58 0.23 -0.84 -1.08 115.26 117.70 2ky9 n ASN 10 Ca 0.01 0.38 -0.38 0.00 -0.53 0.00 0.00 54.58 54.06 2ky9 n ASN 10 Cb 0.51 -0.87 -0.06 0.00 -2.08 0.00 0.00 39.78 37.28 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 -2.48 5.02 -0.09 5.53 2.01 -1.18 -4.73 115.64 119.72 2ky9 s THR 11 Ca -0.34 0.81 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2ky9 s THR 11 Cb 0.10 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2ky9 s THR 11 CO 0.51 0.54 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.92 2ky9 s SER 12 N -1.17 2.03 -0.05 3.53 1.04 -1.26 -4.76 113.70 113.06 2ky9 s SER 12 Ca 0.25 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 2ky9 s SER 12 Cb -0.16 -0.88 -0.31 0.00 0.10 0.00 0.00 66.02 64.77 2ky9 s SER 12 CO 0.14 -0.03 0.72 0.45 0.98 0.00 0.00 173.24 175.51 2ky9 h HIS 13 N 7.50 0.69 -2.73 5.02 3.86 -1.95 -3.47 115.15 124.08 2ky9 h HIS 13 Ca -0.31 -0.50 -0.58 0.00 -1.16 0.00 0.00 60.37 57.82 2ky9 h HIS 13 Cb 1.16 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.56 2ky9 h HIS 13 CO 0.48 1.60 -0.51 -1.64 0.86 0.00 0.00 177.93 178.72 2ky9 s MET 14 N -2.54 3.29 0.32 2.45 -1.94 -1.26 -5.05 119.30 114.56 2ky9 s MET 14 Ca -0.15 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 2ky9 s MET 14 Cb 0.04 -2.90 0.53 0.00 2.01 0.00 0.00 34.83 34.51 2ky9 s MET 14 CO 0.85 0.54 1.86 1.57 -0.01 0.00 0.00 175.02 179.83 2ky9 h LYS 15 N 2.53 0.65 -0.01 2.03 2.10 -2.00 -2.33 116.57 119.55 2ky9 h LYS 15 Ca -0.47 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.05 2ky9 h LYS 15 Cb 1.18 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2ky9 h LYS 15 CO 0.69 0.63 -0.03 0.41 -2.00 0.00 0.00 179.45 179.15 2ky9 n GLY 16 N -0.89 -0.64 0.11 0.07 0.00 -1.26 -3.69 105.19 98.88 2ky9 n GLY 16 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 2ky9 n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 17 N 0.95 0.01 -6.30 1.61 -1.53 -1.77 -1.85 114.93 106.05 2ky9 h MET 17 Ca 0.00 -0.01 -0.54 0.00 -3.44 0.00 0.00 59.70 55.71 2ky9 h MET 17 Cb 0.26 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.32 2ky9 h MET 17 CO 0.00 0.77 1.19 0.21 0.14 0.00 0.00 176.91 179.21 2ky9 s LYS 18 N -3.28 4.09 0.00 0.39 2.20 -1.24 -2.64 119.74 119.26 2ky9 s LYS 18 Ca -0.01 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 2ky9 s LYS 18 Cb 0.12 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2ky9 s LYS 18 CO 0.79 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2ky9 n GLY 19 N 4.46 0.77 3.80 5.54 0.00 -0.24 -4.71 105.19 114.80 2ky9 n GLY 19 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2ky9 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 20 N -3.22 2.94 -0.64 4.61 0.00 -1.08 -4.63 121.76 119.74 2ky9 s ALA 20 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 2ky9 s ALA 20 Cb 0.00 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.93 2ky9 s ALA 20 CO 0.00 -0.23 1.04 -2.00 0.00 0.00 0.00 175.76 174.58 2ky9 s GLU 21 N -3.06 3.23 0.28 0.00 2.12 -1.26 -1.61 118.70 118.40 2ky9 s GLU 21 Ca 0.64 -0.44 -0.18 0.00 0.36 0.00 0.00 54.97 55.36 2ky9 s GLU 21 Cb -0.16 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 29.99 2ky9 s GLU 21 CO 0.20 -1.77 0.75 0.00 -0.54 0.00 0.00 175.26 173.90 2ky9 s ALA 22 N 4.46 3.35 -0.21 6.30 0.00 0.61 -3.85 121.76 132.42 2ky9 s ALA 22 Ca 0.29 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2ky9 s ALA 22 Cb -0.13 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.20 2ky9 s ALA 22 CO 0.15 0.31 -0.15 0.99 0.00 0.00 0.00 175.76 177.06 2ky9 s THR 23 N -1.75 2.21 -0.58 0.00 2.01 0.17 -1.34 115.64 116.36 2ky9 s THR 23 Ca 0.49 -1.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 2ky9 s THR 23 Cb -0.14 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 2ky9 s THR 23 CO 0.19 0.33 1.93 -0.69 -0.69 0.00 0.00 174.62 175.70 2ky9 s VAL 24 N 1.24 3.31 -1.13 3.82 1.01 -0.80 -1.32 120.40 126.53 2ky9 s VAL 24 Ca 0.00 0.19 0.25 0.00 0.00 0.00 0.00 61.98 62.42 2ky9 s VAL 24 Cb -0.16 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2ky9 s VAL 24 CO -0.09 -0.76 1.35 0.35 0.00 0.00 0.00 175.10 175.95 2ky9 n THR 25 N 7.33 0.00 -3.64 3.92 -2.24 -0.02 -0.81 114.28 118.83 2ky9 n THR 25 Ca 0.23 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2ky9 n THR 25 Cb 0.52 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 2ky9 n THR 25 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ky9 s GLY 26 N -2.92 -0.40 -0.30 3.38 0.00 -0.92 -4.97 107.32 101.19 2ky9 s GLY 26 Ca 0.13 2.38 0.01 0.00 0.00 0.00 0.00 44.72 47.24 2ky9 s GLY 26 CO 0.70 1.97 -0.02 0.00 0.00 0.00 0.00 173.10 175.75 2ky9 s ALA 27 N 0.65 2.76 -0.15 3.20 0.00 -1.26 -1.73 121.76 125.23 2ky9 s ALA 27 Ca -0.02 -2.00 -0.02 0.00 0.00 0.00 0.00 51.96 49.92 2ky9 s ALA 27 Cb -0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2ky9 s ALA 27 CO -0.06 -1.38 -0.09 0.71 0.00 0.00 0.00 175.76 174.94 2ky9 s TYR 28 N 1.10 2.89 -0.54 0.00 1.51 -0.63 -5.02 117.35 116.67 2ky9 s TYR 28 Ca -0.02 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.41 2ky9 s TYR 28 Cb -0.20 -1.92 0.14 0.00 -0.11 0.00 0.00 41.96 39.87 2ky9 s TYR 28 CO -0.04 -0.23 0.33 0.34 -1.11 0.00 0.00 175.55 174.84 2ky9 s ASP 29 N 0.55 5.06 0.35 2.29 2.15 -1.26 -0.61 116.67 125.20 2ky9 s ASP 29 Ca -0.06 -2.66 0.07 0.00 0.43 0.00 0.00 52.55 50.33 2ky9 s ASP 29 Cb -0.15 -1.80 -0.02 0.00 -0.30 0.00 0.00 42.92 40.65 2ky9 s ASP 29 CO 0.03 -0.39 0.24 1.07 -0.17 0.00 0.00 175.17 175.95 2ky9 n THR 30 N 3.72 0.00 -2.43 1.71 5.66 -1.24 -5.03 114.28 116.66 2ky9 n THR 30 Ca 0.05 -2.38 -0.43 0.00 -3.05 0.00 0.00 64.05 58.24 2ky9 n THR 30 Cb 0.38 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.22 2ky9 n THR 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2ky9 s THR 31 N -3.25 4.21 0.08 1.09 2.01 -1.26 -3.66 115.64 114.86 2ky9 s THR 31 Ca 0.33 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.75 2ky9 s THR 31 Cb 0.02 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2ky9 s THR 31 CO 0.24 -0.35 0.20 0.00 -0.69 0.00 0.00 174.62 174.02 2ky9 s ALA 32 N 4.03 3.92 0.04 7.40 0.00 -0.19 -0.76 121.76 136.20 2ky9 s ALA 32 Ca 0.55 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2ky9 s ALA 32 Cb -0.18 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2ky9 s ALA 32 CO 0.19 0.76 -0.13 0.71 0.00 0.00 0.00 175.76 177.29 2ky9 s TYR 33 N -1.54 1.17 -0.26 0.00 2.02 -0.28 -1.35 117.35 117.11 2ky9 s TYR 33 Ca 0.34 -0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 56.61 2ky9 s TYR 33 Cb -0.12 -0.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 2ky9 s TYR 33 CO 0.27 0.03 0.07 0.08 -1.57 0.00 0.00 175.55 174.43 2ky9 s VAL 34 N -0.89 4.20 0.04 0.71 1.01 -0.76 -3.63 120.40 121.09 2ky9 s VAL 34 Ca 0.01 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2ky9 s VAL 34 Cb -0.08 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2ky9 s VAL 34 CO 0.01 0.28 -0.22 0.68 0.00 0.00 0.00 175.10 175.86 2ky9 s VAL 35 N 1.59 1.75 -0.11 2.92 -7.23 -1.22 -0.74 120.40 117.36 2ky9 s VAL 35 Ca 0.06 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2ky9 s VAL 35 Cb -0.16 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2ky9 s VAL 35 CO 0.03 0.24 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.48 2ky9 s SER 36 N -1.18 3.95 0.15 4.85 0.01 -0.62 -0.47 113.70 120.40 2ky9 s SER 36 Ca 0.08 -0.31 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 2ky9 s SER 36 Cb -0.09 -1.39 0.07 0.00 0.21 0.00 0.00 66.02 64.82 2ky9 s SER 36 CO 0.02 0.21 0.63 -0.72 0.41 0.00 0.00 173.24 173.79 2ky9 s TYR 37 N 0.06 -0.51 -0.26 2.43 1.13 -0.98 -1.27 117.35 117.96 2ky9 s TYR 37 Ca -0.06 0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.87 2ky9 s TYR 37 Cb -0.15 0.57 0.02 0.00 -1.10 0.00 0.00 41.96 41.30 2ky9 s TYR 37 CO 0.04 -0.85 -0.03 0.99 -2.51 0.00 0.00 175.55 173.19 2ky9 s THR 38 N -3.71 3.07 0.11 -3.49 2.01 -1.26 -0.82 115.64 111.54 2ky9 s THR 38 Ca 0.02 -0.98 -0.33 0.00 0.31 0.00 0.00 61.69 60.70 2ky9 s THR 38 Cb -0.01 -2.57 -0.13 0.00 0.01 0.00 0.00 72.50 69.80 2ky9 s THR 38 CO -0.12 0.17 1.69 -0.81 -0.69 0.00 0.00 174.62 174.86 2ky9 n PRO 39 N 4.70 2.30 0.23 4.92 -0.04 -1.26 -4.83 135.00 141.02 2ky9 n PRO 39 Ca -0.16 0.83 0.16 0.00 -0.04 0.00 0.00 63.50 64.29 2ky9 n PRO 39 Cb 0.47 -2.65 0.77 0.00 -0.04 0.00 0.00 33.50 32.05 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ky9 h THR 40 N 4.18 0.00 -0.11 0.52 1.35 -1.81 -1.79 112.91 115.25 2ky9 h THR 40 Ca -0.46 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2ky9 h THR 40 Cb 1.25 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2ky9 h THR 40 CO 0.92 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.78 2ky9 n ASN 41 N -2.66 0.71 -1.22 5.36 3.02 -1.26 -4.90 115.26 114.31 2ky9 n ASN 41 Ca -0.01 -2.02 -0.01 0.00 -0.03 0.00 0.00 54.58 52.52 2ky9 n ASN 41 Cb 0.15 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ky9 n GLY 42 N 0.61 0.44 0.64 7.41 0.00 -0.68 -5.09 105.19 108.52 2ky9 n GLY 42 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.07 2.26 3.68 -0.02 0.00 -1.19 -5.08 105.19 103.77 2ky9 n GLY 43 Ca -0.02 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.42 4.36 -0.30 1.61 -0.44 -1.26 -4.74 119.66 116.47 2ky9 s GLN 44 Ca 0.09 1.59 -0.37 0.00 -2.50 0.00 0.00 55.36 54.17 2ky9 s GLN 44 Cb -0.01 -3.57 -0.13 0.00 -1.64 0.00 0.00 33.01 27.67 2ky9 s GLN 44 CO 0.05 -0.44 2.03 -2.13 0.50 0.00 0.00 175.29 175.31 2ky9 n ARG 45 N 5.27 1.21 -2.31 1.67 0.63 -1.26 -4.64 116.66 117.22 2ky9 n ARG 45 Ca 0.11 0.38 -0.38 0.00 -0.92 0.00 0.00 57.85 57.04 2ky9 n ARG 45 Cb 0.47 -2.36 -0.03 0.00 0.45 0.00 0.00 32.46 30.99 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ky9 s VAL 46 N 5.85 3.59 -0.29 5.15 1.01 0.00 -4.96 120.40 130.76 2ky9 s VAL 46 Ca 1.05 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.82 2ky9 s VAL 46 Cb -0.92 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 30.98 2ky9 s VAL 46 CO 0.55 -1.43 0.83 -0.62 0.00 0.00 0.00 175.10 174.42 2ky9 s ASP 47 N 6.00 6.74 -1.07 3.32 2.15 -1.26 -2.32 116.67 130.23 2ky9 s ASP 47 Ca 0.52 0.81 -0.09 0.00 0.43 0.00 0.00 52.55 54.23 2ky9 s ASP 47 Cb -0.08 -2.43 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2ky9 s ASP 47 CO 0.10 -0.61 0.90 1.41 -0.17 0.00 0.00 175.17 176.80 2ky9 n HIS 48 N 6.21 -2.37 -1.67 -5.34 8.25 -1.22 -4.93 115.22 114.16 2ky9 n HIS 48 Ca 0.05 0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 2ky9 n HIS 48 Cb 0.48 -4.02 -0.03 0.00 1.12 0.00 0.00 29.99 27.54 2ky9 n HIS 48 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ky9 n HIS 49 N -3.41 2.55 -4.79 4.41 -0.00 0.38 -4.82 115.22 109.53 2ky9 n HIS 49 Ca -0.08 -0.31 -0.25 0.00 0.46 0.00 0.00 57.72 57.54 2ky9 n HIS 49 Cb 0.62 -2.79 -0.16 0.00 -0.12 0.00 0.00 29.99 27.54 2ky9 n HIS 49 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ky9 s LYS 50 N 3.98 1.64 0.06 1.57 1.02 -1.26 -3.45 119.74 123.30 2ky9 s LYS 50 Ca 0.87 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 56.35 2ky9 s LYS 50 Cb -0.45 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2ky9 s LYS 50 CO 0.41 0.25 -0.16 -1.58 -0.92 0.00 0.00 175.35 173.35 2ky9 s TRP 51 N -0.03 2.60 0.14 3.18 0.52 -1.17 -4.84 118.94 119.34 2ky9 s TRP 51 Ca -0.02 -0.23 0.10 0.00 0.02 0.00 0.00 56.10 55.97 2ky9 s TRP 51 Cb -0.10 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2ky9 s TRP 51 CO 0.02 0.31 -0.23 0.14 0.02 0.00 0.00 176.95 177.20 2ky9 s VAL 52 N -1.01 2.08 0.38 4.03 -7.23 -1.24 -2.77 120.40 114.65 2ky9 s VAL 52 Ca 0.16 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2ky9 s VAL 52 Cb -0.11 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2ky9 s VAL 52 CO 0.07 -0.06 0.03 2.30 -0.31 0.00 0.00 175.10 177.13 2ky9 n ILE 53 N 0.70 0.00 -0.28 -0.62 -5.35 -1.26 -1.13 119.36 111.42 2ky9 n ILE 53 Ca -0.16 -1.75 0.27 0.00 -0.27 0.00 0.00 62.75 60.83 2ky9 n ILE 53 Cb 0.54 0.30 0.62 0.00 -1.74 0.00 0.00 39.64 39.36 2ky9 n ILE 53 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2ky9 h GLN 54 N 0.00 0.20 0.00 6.28 4.15 -1.31 -1.46 115.11 122.97 2ky9 h GLN 54 Ca -0.31 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.09 2ky9 h GLN 54 Cb 0.94 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 2ky9 h GLN 54 CO 0.50 0.13 -0.08 1.49 -1.93 0.00 0.00 178.83 178.94 2ky9 h GLU 55 N 0.21 0.00 0.00 1.69 4.57 -1.96 -3.07 114.58 116.02 2ky9 h GLU 55 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 2ky9 h GLU 55 Cb 1.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 2ky9 h GLU 55 CO -0.14 0.08 -0.23 0.39 -1.18 0.00 0.00 179.01 177.93 2ky9 n GLU 56 N -3.92 0.21 -5.11 1.92 4.71 -0.55 -4.79 120.64 113.10 2ky9 n GLU 56 Ca -0.02 0.12 -0.29 0.00 -0.01 0.00 0.00 57.16 56.96 2ky9 n GLU 56 Cb 0.18 -1.69 -0.16 0.00 -1.01 0.00 0.00 31.44 28.75 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ky9 s ILE 57 N -3.10 1.80 0.08 -3.67 1.01 -1.16 -1.12 121.20 115.05 2ky9 s ILE 57 Ca 0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 2ky9 s ILE 57 Cb 0.14 -1.52 -0.27 0.00 0.01 0.00 0.00 42.46 40.83 2ky9 s ILE 57 CO 0.63 0.51 1.16 0.50 0.00 0.00 0.00 174.94 177.74 2ky9 h LYS 58 N 5.89 0.44 0.00 2.79 3.64 -1.85 -3.33 116.57 124.14 2ky9 h LYS 58 Ca -0.36 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 2ky9 h LYS 58 Cb 1.16 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2ky9 h LYS 58 CO 0.47 1.26 0.00 -3.47 -2.27 0.00 0.00 179.45 175.44 2ky9 n ASP 59 N -3.68 0.77 0.04 4.20 2.03 -1.26 -4.20 116.55 114.44 2ky9 n ASP 59 Ca -0.10 0.60 -0.11 0.00 0.52 0.00 0.00 54.79 55.70 2ky9 n ASP 59 Cb 0.97 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 2.45 -0.80 -3.42 -1.67 0.00 -1.89 -3.47 119.26 110.47 2ky9 h ALA 60 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 2ky9 h ALA 60 Cb 0.63 0.81 0.03 0.00 0.00 0.00 0.00 17.79 19.26 2ky9 h ALA 60 CO 0.00 -0.91 -0.48 0.41 0.00 0.00 0.00 179.25 178.27 2ky9 n GLY 61 N -1.31 -0.31 2.47 0.00 0.00 -1.26 -2.03 105.19 102.76 2ky9 n GLY 61 Ca -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ky9 n ASP 62 N -1.63 -4.73 -4.93 1.61 8.00 -1.26 -5.02 116.55 108.58 2ky9 n ASP 62 Ca -0.12 0.23 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 2ky9 n ASP 62 Cb 0.61 -3.05 0.01 0.00 -0.02 0.00 0.00 41.12 38.67 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 -2.56 2.34 -0.36 -1.24 -2.85 -0.86 -5.11 119.74 109.10 2ky9 s LYS 63 Ca 0.00 -1.80 -0.16 0.00 -1.00 0.00 0.00 55.97 53.01 2ky9 s LYS 63 Cb 0.00 -2.31 -0.00 0.00 -2.06 0.00 0.00 37.83 33.45 2ky9 s LYS 63 CO 0.00 -0.58 0.41 0.99 0.10 0.00 0.00 175.35 176.27 2ky9 s THR 64 N -2.67 5.12 0.19 3.79 2.01 -1.26 -4.95 115.64 117.87 2ky9 s THR 64 Ca 0.45 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 2ky9 s THR 64 Cb -0.03 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2ky9 s THR 64 CO 0.27 -0.20 1.04 -0.76 -0.69 0.00 0.00 174.62 174.29 2ky9 s LEU 65 N 2.11 4.53 0.19 4.42 1.43 -1.26 -5.06 118.68 125.04 2ky9 s LEU 65 Ca 0.13 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.23 2ky9 s LEU 65 Cb -0.16 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 2ky9 s LEU 65 CO 0.12 -0.11 0.41 -1.10 0.23 0.00 0.00 176.35 175.90 2ky9 s GLN 66 N -0.60 3.58 -0.21 1.70 1.11 -1.26 -4.49 119.66 119.50 2ky9 s GLN 66 Ca 0.47 -0.18 -0.38 0.00 0.01 0.00 0.00 55.36 55.28 2ky9 s GLN 66 Cb -0.28 -2.81 -0.14 0.00 -1.01 0.00 0.00 33.01 28.77 2ky9 s GLN 66 CO 0.34 0.40 1.81 -2.30 0.01 0.00 0.00 175.29 175.55 2ky9 n PRO 67 N -0.38 1.56 0.00 2.91 -0.02 -1.26 -2.11 135.00 135.71 2ky9 n PRO 67 Ca -0.03 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2ky9 n PRO 67 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2ky9 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ky9 n GLY 68 N 4.33 1.63 3.66 -1.23 0.00 -0.61 -5.03 105.19 107.94 2ky9 n GLY 68 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.84 6.73 -0.24 1.61 1.01 -0.90 -4.86 116.67 118.19 2ky9 s ASP 69 Ca 0.00 2.14 -0.21 0.00 0.71 0.00 0.00 52.55 55.20 2ky9 s ASP 69 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2ky9 s ASP 69 CO 0.00 -0.88 0.65 -1.10 0.21 0.00 0.00 175.17 174.05 2ky9 s GLN 70 N 3.76 4.14 0.26 8.23 -1.52 -1.26 -1.89 119.66 131.37 2ky9 s GLN 70 Ca 0.69 0.60 0.04 0.00 -1.95 0.00 0.00 55.36 54.75 2ky9 s GLN 70 Cb -0.31 -3.64 -0.05 0.00 -0.22 0.00 0.00 33.01 28.79 2ky9 s GLN 70 CO 0.27 -0.39 0.00 0.14 -0.25 0.00 0.00 175.29 175.06 2ky9 s VAL 71 N 2.42 1.14 -0.09 1.09 -7.23 -0.18 -4.97 120.40 112.57 2ky9 s VAL 71 Ca 0.27 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2ky9 s VAL 71 Cb -0.16 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2ky9 s VAL 71 CO 0.09 -0.25 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.90 2ky9 s ILE 72 N -3.35 3.40 -0.18 -0.62 -1.09 -1.26 -1.27 121.20 116.83 2ky9 s ILE 72 Ca 0.30 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.89 2ky9 s ILE 72 Cb 0.06 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 2ky9 s ILE 72 CO 0.11 0.56 0.88 -0.76 -1.23 0.00 0.00 174.94 174.50 2ky9 s LEU 73 N -0.31 4.16 -0.05 2.97 1.43 -1.22 -3.47 118.68 122.19 2ky9 s LEU 73 Ca 0.03 1.23 0.13 0.00 -1.03 0.00 0.00 54.13 54.50 2ky9 s LEU 73 Cb -0.13 -3.31 0.47 0.00 0.03 0.00 0.00 46.19 43.26 2ky9 s LEU 73 CO 0.03 -0.46 1.36 -0.62 0.23 0.00 0.00 176.35 176.88 2ky9 n GLU 74 N 5.47 2.62 -4.42 1.70 -0.58 -0.27 -2.35 120.64 122.80 2ky9 n GLU 74 Ca 0.06 -1.89 -0.25 0.00 -0.42 0.00 0.00 57.16 54.66 2ky9 n GLU 74 Cb 0.48 -1.59 -0.11 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.61 2.49 -0.03 0.62 0.00 -1.20 -4.98 121.76 117.06 2ky9 s ALA 75 Ca 0.34 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2ky9 s ALA 75 Cb 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2ky9 s ALA 75 CO 0.19 0.33 0.04 0.45 0.00 0.00 0.00 175.76 176.77 2ky9 s SER 76 N -2.96 0.45 0.00 0.00 0.15 -1.26 -2.99 113.70 107.09 2ky9 s SER 76 Ca 0.23 0.05 0.11 0.00 0.70 0.00 0.00 55.95 57.04 2ky9 s SER 76 Cb -0.06 -0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.28 2ky9 s SER 76 CO 0.11 -0.17 0.95 1.41 1.20 0.00 0.00 173.24 176.74 2ky9 n HIS 77 N 4.56 0.10 -3.58 3.44 8.25 -1.26 -4.99 115.22 121.73 2ky9 n HIS 77 Ca -0.20 -0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.12 2ky9 n HIS 77 Cb 0.50 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.97 0.44 0.01 -0.41 0.23 -1.26 -5.11 119.30 112.23 2ky9 s MET 78 Ca 0.16 -0.17 -0.30 0.00 -1.03 0.00 0.00 55.69 54.34 2ky9 s MET 78 Cb 0.10 0.19 -0.06 0.00 -1.53 0.00 0.00 34.83 33.53 2ky9 s MET 78 CO 0.15 -0.19 1.52 0.15 -2.03 0.00 0.00 175.02 174.62 2ky9 s LYS 79 N -2.58 4.24 0.00 3.16 1.02 -1.26 -2.77 119.74 121.55 2ky9 s LYS 79 Ca 0.09 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.20 2ky9 s LYS 79 Cb -0.01 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2ky9 s LYS 79 CO -0.05 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 2ky9 n GLY 80 N 3.83 0.88 0.09 -3.33 0.00 -1.26 -4.54 105.19 100.86 2ky9 n GLY 80 Ca 0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2ky9 n GLY 80 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ky9 n MET 81 N -2.22 0.53 -2.07 1.61 0.00 -1.12 -3.04 117.12 110.82 2ky9 n MET 81 Ca 0.00 0.26 -0.42 0.00 0.00 0.00 0.00 57.70 57.54 2ky9 n MET 81 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 33.22 31.72 2ky9 n MET 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ky9 s LYS 82 N -2.77 4.28 0.00 2.12 2.20 -1.16 -2.64 119.74 121.78 2ky9 s LYS 82 Ca -0.29 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2ky9 s LYS 82 Cb 0.05 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2ky9 s LYS 82 CO 0.42 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2ky9 n GLY 83 N 3.27 2.50 3.83 5.54 0.00 -0.99 -4.99 105.19 114.35 2ky9 n GLY 83 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.23 3.02 -0.27 4.61 0.00 -1.08 -4.88 121.76 120.93 2ky9 s ALA 84 Ca 0.00 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 2ky9 s ALA 84 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2ky9 s ALA 84 CO 0.00 -0.08 0.73 0.99 0.00 0.00 0.00 175.76 177.41 2ky9 s THR 85 N -2.34 4.88 0.11 0.00 2.01 -1.26 -3.43 115.64 115.61 2ky9 s THR 85 Ca 0.61 1.23 0.09 0.00 0.31 0.00 0.00 61.69 63.94 2ky9 s THR 85 Cb -0.10 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2ky9 s THR 85 CO 0.21 -0.10 -0.20 0.00 -0.69 0.00 0.00 174.62 173.84 2ky9 s ALA 86 N 2.75 2.62 -0.13 7.40 0.00 -0.40 -4.39 121.76 129.60 2ky9 s ALA 86 Ca 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2ky9 s ALA 86 Cb -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2ky9 s ALA 86 CO 0.10 0.58 -0.14 -2.00 0.00 0.00 0.00 175.76 174.29 2ky9 s GLU 87 N -2.06 3.33 -0.34 0.00 2.12 -0.39 -1.01 118.70 120.35 2ky9 s GLU 87 Ca 0.17 -0.71 -0.28 0.00 0.36 0.00 0.00 54.97 54.50 2ky9 s GLU 87 Cb -0.10 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 2ky9 s GLU 87 CO 0.09 0.18 1.91 0.42 -0.54 0.00 0.00 175.26 177.32 2ky9 s ILE 88 N 0.43 3.35 0.10 -3.70 -1.09 -0.79 -1.58 121.20 117.91 2ky9 s ILE 88 Ca -0.11 0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.55 2ky9 s ILE 88 Cb -0.16 -3.51 -0.20 0.00 -1.58 0.00 0.00 42.46 37.01 2ky9 s ILE 88 CO 0.05 -0.35 1.25 0.44 -1.23 0.00 0.00 174.94 175.11 2ky9 h ASP 89 N 13.77 0.83 -4.85 3.58 3.32 -1.27 -1.62 116.42 130.18 2ky9 h ASP 89 Ca -0.34 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.06 2ky9 h ASP 89 Cb 1.19 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 2ky9 h ASP 89 CO 1.04 1.43 0.26 -0.55 -1.72 0.00 0.00 179.24 179.70 2ky9 s SER 90 N -7.19 -0.58 -0.05 6.45 0.15 -1.20 -4.59 113.70 106.68 2ky9 s SER 90 Ca -0.09 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.07 2ky9 s SER 90 Cb 0.08 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 2ky9 s SER 90 CO 0.90 -0.65 -0.13 0.00 1.20 0.00 0.00 173.24 174.57 2ky9 s ALA 91 N -1.83 1.27 0.02 5.45 0.00 -1.26 -1.83 121.76 123.57 2ky9 s ALA 91 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2ky9 s ALA 91 Cb -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2ky9 s ALA 91 CO 0.03 0.17 -0.08 -2.00 0.00 0.00 0.00 175.76 173.88 2ky9 s GLU 92 N 0.38 0.59 -0.73 0.00 2.56 -0.46 -5.02 118.70 116.02 2ky9 s GLU 92 Ca -0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 54.97 54.26 2ky9 s GLU 92 Cb -0.13 -0.51 0.17 0.00 2.00 0.00 0.00 34.13 35.66 2ky9 s GLU 92 CO 0.03 0.13 0.72 0.15 -0.56 0.00 0.00 175.26 175.72 2ky9 s LYS 93 N -0.72 3.36 0.07 4.30 -0.14 -1.26 -1.02 119.74 124.32 2ky9 s LYS 93 Ca -0.01 -2.03 0.02 0.00 -1.36 0.00 0.00 55.97 52.58 2ky9 s LYS 93 Cb -0.06 -4.42 -0.03 0.00 -1.68 0.00 0.00 37.83 31.64 2ky9 s LYS 93 CO 0.00 -1.38 -0.06 -0.08 -0.76 0.00 0.00 175.35 173.06 2ky9 s THR 94 N 1.15 0.56 -0.25 2.17 -1.32 -1.24 -5.04 115.64 111.67 2ky9 s THR 94 Ca 0.14 -1.56 -0.25 0.00 -1.21 0.00 0.00 61.69 58.81 2ky9 s THR 94 Cb -0.17 -1.20 -0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2ky9 s THR 94 CO -0.04 -0.69 0.87 -0.89 -2.21 0.00 0.00 174.62 171.66 2ky9 s THR 95 N -2.74 4.79 -0.12 5.08 2.01 -1.26 -3.72 115.64 119.68 2ky9 s THR 95 Ca 0.02 1.61 -0.03 0.00 0.31 0.00 0.00 61.69 63.60 2ky9 s THR 95 Cb -0.01 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2ky9 s THR 95 CO -0.03 -0.13 -0.00 0.68 -0.69 0.00 0.00 174.62 174.45 2ky9 s VAL 96 N 2.95 4.23 -0.10 3.82 -7.23 0.22 -3.84 120.40 120.44 2ky9 s VAL 96 Ca 0.37 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2ky9 s VAL 96 Cb -0.15 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 2ky9 s VAL 96 CO 0.08 0.55 -0.05 -0.31 -0.31 0.00 0.00 175.10 175.05 2ky9 s TYR 97 N -0.30 2.98 -0.41 2.82 2.02 -0.21 -1.60 117.35 122.65 2ky9 s TYR 97 Ca 0.06 -0.11 -0.22 0.00 -0.37 0.00 0.00 57.07 56.44 2ky9 s TYR 97 Cb -0.12 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2ky9 s TYR 97 CO 0.02 0.19 0.69 1.41 -1.57 0.00 0.00 175.55 176.29 2ky9 s MET 98 N -0.34 3.47 0.04 -0.62 -2.45 -0.71 -3.14 119.30 115.56 2ky9 s MET 98 Ca 0.05 -0.11 0.08 0.00 -1.25 0.00 0.00 55.69 54.45 2ky9 s MET 98 Cb -0.12 -3.89 -0.03 0.00 1.25 0.00 0.00 34.83 32.04 2ky9 s MET 98 CO 0.02 -0.95 -0.21 0.14 1.05 0.00 0.00 175.02 175.07 2ky9 s VAL 99 N 2.95 1.72 -0.25 10.11 -7.23 -1.13 -0.84 120.40 125.73 2ky9 s VAL 99 Ca 0.26 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2ky9 s VAL 99 Cb -0.14 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 2ky9 s VAL 99 CO 0.19 0.22 0.02 -0.62 -0.31 0.00 0.00 175.10 174.60 2ky9 s ASP 100 N -1.20 4.75 0.15 4.85 -1.08 -0.43 -0.73 116.67 122.98 2ky9 s ASP 100 Ca 0.08 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 51.64 2ky9 s ASP 100 Cb -0.09 -1.82 -0.04 0.00 -1.46 0.00 0.00 42.92 39.51 2ky9 s ASP 100 CO 0.02 -0.08 0.07 -0.72 0.52 0.00 0.00 175.17 174.98 2ky9 s TYR 101 N 1.51 0.98 -0.42 -5.34 -0.85 -0.81 -0.66 117.35 111.76 2ky9 s TYR 101 Ca 0.05 -1.26 -0.15 0.00 -0.52 0.00 0.00 57.07 55.19 2ky9 s TYR 101 Cb -0.15 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.69 2ky9 s TYR 101 CO 0.00 -0.53 0.31 0.99 -1.52 0.00 0.00 175.55 174.79 2ky9 s THR 102 N -4.05 5.20 -0.37 -3.49 2.01 -1.25 -1.13 115.64 112.56 2ky9 s THR 102 Ca 0.28 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2ky9 s THR 102 Cb 0.07 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2ky9 s THR 102 CO 0.05 -0.34 2.31 -1.20 -0.69 0.00 0.00 174.62 174.75 2ky9 n SER 103 N 5.15 2.60 0.31 3.53 7.64 -0.12 -4.50 113.62 128.23 2ky9 n SER 103 Ca -0.11 -0.02 0.18 0.00 1.01 0.00 0.00 58.87 59.92 2ky9 n SER 103 Cb 0.46 -1.49 0.98 0.00 -1.01 0.00 0.00 64.21 63.16 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 7.38 0.32 0.00 0.44 1.35 -1.61 0.20 112.91 120.99 2ky9 h THR 104 Ca -0.31 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.39 2ky9 h THR 104 Cb 1.27 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 2ky9 h THR 104 CO 1.06 0.02 -0.18 0.00 -0.25 0.00 0.00 175.52 176.17 2ky9 h THR 105 N 0.00 0.73 0.00 6.82 1.03 -1.83 -3.41 112.91 116.25 2ky9 h THR 105 Ca -0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 2ky9 h THR 105 Cb 0.09 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2ky9 h THR 105 CO 0.00 0.17 0.00 -0.24 -0.01 0.00 0.00 175.52 175.45 2ky9 n SER 106 N -3.75 0.00 0.00 0.00 2.88 -1.01 -5.05 113.62 106.69 2ky9 n SER 106 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2ky9 n SER 106 Cb 0.29 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ky9 n GLY 107 N 1.11 1.17 3.76 0.46 0.00 0.66 -5.08 105.19 107.26 2ky9 n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 4.44 -0.36 1.61 2.56 -1.26 -4.64 118.70 120.85 2ky9 s GLU 108 Ca 0.00 2.09 -0.25 0.00 0.00 0.00 0.00 54.97 56.81 2ky9 s GLU 108 Cb 0.00 -3.11 0.01 0.00 2.00 0.00 0.00 34.13 33.03 2ky9 s GLU 108 CO 0.00 -0.08 0.88 0.15 -0.56 0.00 0.00 175.26 175.65 2ky9 s LYS 109 N -1.56 3.84 -0.55 4.30 -0.14 -1.26 -0.94 119.74 123.43 2ky9 s LYS 109 Ca 0.48 0.53 -0.22 0.00 -1.36 0.00 0.00 55.97 55.40 2ky9 s LYS 109 Cb -0.37 -3.79 0.05 0.00 -1.68 0.00 0.00 37.83 32.03 2ky9 s LYS 109 CO 0.48 -0.89 0.85 0.08 -0.76 0.00 0.00 175.35 175.12 2ky9 s VAL 110 N 3.33 4.52 -0.12 3.17 1.01 -0.28 -4.97 120.40 127.06 2ky9 s VAL 110 Ca 0.36 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 2ky9 s VAL 110 Cb -0.12 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 2ky9 s VAL 110 CO 0.17 -1.07 0.39 -0.54 0.00 0.00 0.00 175.10 174.05 2ky9 s LYS 111 N 3.58 4.23 -1.37 2.72 1.02 -1.26 -1.92 119.74 126.73 2ky9 s LYS 111 Ca 0.25 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.46 2ky9 s LYS 111 Cb -0.15 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2ky9 s LYS 111 CO 0.16 0.28 0.41 0.27 -0.92 0.00 0.00 175.35 175.55 2ky9 n ASN 112 N 3.31 -1.29 -4.74 2.83 0.23 -1.15 -4.94 115.26 109.52 2ky9 n ASN 112 Ca -0.10 -1.11 -0.42 0.00 -0.53 0.00 0.00 54.58 52.42 2ky9 n ASN 112 Cb 0.52 -2.57 -0.00 0.00 -2.08 0.00 0.00 39.78 35.65 2ky9 n ASN 112 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2ky9 n HIS 113 N -4.50 2.65 -4.29 -2.53 -0.00 0.09 -4.69 115.22 101.95 2ky9 n HIS 113 Ca -0.26 0.49 -0.23 0.00 0.46 0.00 0.00 57.72 58.19 2ky9 n HIS 113 Cb 0.66 -2.48 -0.17 0.00 -0.12 0.00 0.00 29.99 27.88 2ky9 n HIS 113 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ky9 s LYS 114 N -1.91 1.24 0.28 1.57 1.02 -1.26 -2.85 119.74 117.83 2ky9 s LYS 114 Ca 0.55 -0.23 0.11 0.00 0.02 0.00 0.00 55.97 56.41 2ky9 s LYS 114 Cb -0.52 -1.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.59 2ky9 s LYS 114 CO 0.62 -0.07 -0.17 -1.58 -0.92 0.00 0.00 175.35 173.23 2ky9 s TRP 115 N 0.94 2.24 0.24 3.18 0.52 -1.11 -4.78 118.94 120.17 2ky9 s TRP 115 Ca -0.10 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.66 2ky9 s TRP 115 Cb -0.15 -1.04 -0.05 0.00 -1.15 0.00 0.00 33.47 31.08 2ky9 s TRP 115 CO 0.01 0.65 0.00 0.14 0.02 0.00 0.00 176.95 177.77 2ky9 s VAL 116 N -2.59 1.06 0.38 4.03 -7.23 -1.19 -3.05 120.40 111.81 2ky9 s VAL 116 Ca 0.30 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.51 2ky9 s VAL 116 Cb -0.03 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2ky9 s VAL 116 CO 0.14 -0.27 0.03 0.42 -0.31 0.00 0.00 175.10 175.11 2ky9 s THR 117 N -3.40 2.33 0.32 5.32 -4.23 -1.26 -1.04 115.64 113.67 2ky9 s THR 117 Ca 0.30 -1.95 0.26 0.00 -1.18 0.00 0.00 61.69 59.12 2ky9 s THR 117 Cb 0.06 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.29 2ky9 s THR 117 CO 0.10 -0.10 1.98 -0.08 -0.54 0.00 0.00 174.62 175.98 2ky9 h GLU 118 N 1.74 0.00 -0.07 3.99 4.81 -1.89 -1.87 114.58 121.29 2ky9 h GLU 118 Ca -0.43 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2ky9 h GLU 118 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2ky9 h GLU 118 CO 0.72 0.17 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.55 2ky9 h ASP 119 N 0.00 0.10 0.08 1.04 5.19 -1.96 -2.75 116.42 118.12 2ky9 h ASP 119 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2ky9 h ASP 119 Cb 0.49 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2ky9 h ASP 119 CO 0.02 0.28 -0.21 -0.62 -3.12 0.00 0.00 179.24 175.59 2ky9 n GLU 120 N -4.29 1.31 -4.38 3.56 1.02 -0.73 -4.80 120.64 112.34 2ky9 n GLU 120 Ca -0.02 -0.91 -0.33 0.00 -0.02 0.00 0.00 57.16 55.88 2ky9 n GLU 120 Cb 0.27 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ky9 s LEU 121 N -2.31 2.40 0.08 -4.62 1.43 -1.04 -1.99 118.68 112.64 2ky9 s LEU 121 Ca 0.27 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2ky9 s LEU 121 Cb 0.19 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2ky9 s LEU 121 CO 0.46 0.05 0.12 -0.44 0.23 0.00 0.00 176.35 176.77 2ky9 s SER 122 N 1.01 5.75 1.04 2.29 0.01 -0.19 -4.85 113.70 118.77 2ky9 s SER 122 Ca -0.02 0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.17 2ky9 s SER 122 Cb -0.15 -1.61 0.21 0.00 0.21 0.00 0.00 66.02 64.69 2ky9 s SER 122 CO -0.04 0.16 1.08 0.00 0.41 0.00 0.00 173.24 174.85 2ky9 s ALA 123 N -1.46 0.62 -0.64 1.44 0.00 -1.26 -0.09 121.76 120.37 2ky9 s ALA 123 Ca 0.31 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2ky9 s ALA 123 Cb -0.12 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 2ky9 s ALA 123 CO 0.24 -3.08 2.50 1.17 0.00 0.00 0.00 175.76 176.58 2ky9 n LYS 124 N -4.35 0.74 -4.05 0.00 3.00 -1.26 -3.87 118.16 108.38 2ky9 n LYS 124 Ca 0.05 -0.01 -0.15 0.00 -0.00 0.00 0.00 58.31 58.19 2ky9 n LYS 124 Cb 0.57 -2.91 -0.15 0.00 0.00 0.00 0.00 35.03 32.54 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 11.37 1.83 -0.01 3.14 2.96 -1.26 -5.02 118.68 131.68 2ky9 s LEU 125 Ca 1.09 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 2ky9 s LEU 125 Cb -0.47 -0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.04 2ky9 s LEU 125 CO 0.32 0.01 0.90 -0.62 -1.32 0.00 0.00 176.35 175.65 2ky9 n GLU 126 N 3.24 2.07 -2.29 1.98 1.02 -1.26 -5.01 120.64 120.39 2ky9 n GLU 126 Ca -0.16 -1.36 -0.41 0.00 -0.02 0.00 0.00 57.16 55.22 2ky9 n GLU 126 Cb 0.57 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 31.04 2ky9 n GLU 126 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2ky9 s HIS 127 N -0.92 2.07 0.05 -0.32 2.46 -1.26 -4.99 115.29 112.38 2ky9 s HIS 127 Ca 0.03 0.49 0.03 0.00 0.47 0.00 0.00 55.06 56.07 2ky9 s HIS 127 Cb 0.03 -4.32 -0.03 0.00 -0.13 0.00 0.00 32.58 28.12 2ky9 s HIS 127 CO 0.00 -2.16 -0.09 -1.01 -2.47 0.00 0.00 174.74 169.01 2ky9 s HIS 128 N 6.94 0.78 0.23 3.88 3.76 -1.26 -5.18 115.29 124.45 2ky9 s HIS 128 Ca 0.56 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 2ky9 s HIS 128 Cb -0.12 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 2ky9 s HIS 128 CO 0.23 -0.06 -0.03 -1.01 -0.85 0.00 0.00 174.74 173.01 2ky9 s HIS 129 N -1.60 2.69 0.47 1.40 3.76 -1.26 -5.16 115.29 115.58 2ky9 s HIS 129 Ca -0.06 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 2ky9 s HIS 129 Cb -0.08 -1.24 0.09 0.00 1.11 0.00 0.00 32.58 32.46 2ky9 s HIS 129 CO 0.00 0.58 0.64 0.72 -0.85 0.00 0.00 174.74 175.83 2ky9 n HIS 130 N -0.53 -2.95 -2.29 1.40 8.25 -1.26 -5.02 115.22 112.81 2ky9 n HIS 130 Ca -0.08 -1.24 -0.34 0.00 -0.26 0.00 0.00 57.72 55.80 2ky9 n HIS 130 Cb 0.58 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2ky9 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ky9 s HIS 131 N -1.86 2.15 -2.51 4.41 2.46 -1.26 -5.37 115.29 113.31 2ky9 s HIS 131 Ca 0.44 -0.07 0.28 0.00 0.47 0.00 0.00 55.06 56.18 2ky9 s HIS 131 Cb -0.03 -4.36 1.04 0.00 -0.13 0.00 0.00 32.58 29.10 2ky9 s HIS 131 CO 0.29 -1.84 1.74 1.58 -2.47 0.00 0.00 174.74 174.03