#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 3.33 0.18 0.03 2.20 -1.26 -5.06 119.74 119.16 2ky9 s LYS 2 Ca 0.00 -0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.04 2ky9 s LYS 2 Cb 0.00 -3.07 -0.09 0.00 -1.51 0.00 0.00 37.83 33.16 2ky9 s LYS 2 CO 0.00 0.73 1.40 0.08 -0.36 0.00 0.00 175.35 177.19 2ky9 s VAL 3 N -1.11 3.05 0.00 4.02 1.01 -1.26 -2.56 120.40 123.55 2ky9 s VAL 3 Ca 0.19 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2ky9 s VAL 3 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2ky9 s VAL 3 CO 0.09 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2ky9 n GLY 4 N 2.88 0.71 3.85 4.51 0.00 -0.28 -5.04 105.19 111.82 2ky9 n GLY 4 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.84 6.71 -0.23 1.61 0.01 -1.06 -4.92 113.70 112.98 2ky9 s SER 5 Ca 0.00 1.29 -0.17 0.00 1.31 0.00 0.00 55.95 58.37 2ky9 s SER 5 Cb 0.00 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2ky9 s SER 5 CO 0.00 -0.30 0.48 -1.10 0.41 0.00 0.00 173.24 172.73 2ky9 s GLN 6 N -3.31 4.13 0.15 12.44 -1.52 -1.26 -2.09 119.66 128.20 2ky9 s GLN 6 Ca 0.54 0.30 0.10 0.00 -1.95 0.00 0.00 55.36 54.36 2ky9 s GLN 6 Cb -0.10 -3.59 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 2ky9 s GLN 6 CO 0.22 -0.20 -0.24 0.14 -0.25 0.00 0.00 175.29 174.96 2ky9 s VAL 7 N 1.83 2.13 -0.12 1.09 -7.23 -0.62 -1.88 120.40 115.60 2ky9 s VAL 7 Ca 0.21 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2ky9 s VAL 7 Cb -0.15 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2ky9 s VAL 7 CO 0.09 -0.05 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.19 2ky9 s ILE 8 N -1.38 4.18 -0.54 -0.62 -1.09 -0.09 -0.77 121.20 120.89 2ky9 s ILE 8 Ca 0.15 -0.27 -0.28 0.00 -2.23 0.00 0.00 60.65 58.01 2ky9 s ILE 8 Cb -0.09 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 2ky9 s ILE 8 CO 0.07 0.54 1.46 -0.63 -1.23 0.00 0.00 174.94 175.16 2ky9 s ILE 9 N -0.23 3.75 0.03 2.92 1.01 -0.95 -0.91 121.20 126.82 2ky9 s ILE 9 Ca 0.05 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 2ky9 s ILE 9 Cb -0.12 -4.34 -0.26 0.00 0.01 0.00 0.00 42.46 37.74 2ky9 s ILE 9 CO 0.02 -1.06 0.97 -1.13 0.00 0.00 0.00 174.94 173.73 2ky9 h ASN 10 N 11.38 0.31 -4.15 3.58 -1.24 -1.42 -1.90 115.58 122.13 2ky9 h ASN 10 Ca -0.27 -0.40 -0.43 0.00 0.71 0.00 0.00 56.30 55.92 2ky9 h ASN 10 Cb 1.10 -0.10 -0.28 0.00 0.73 0.00 0.00 38.32 39.77 2ky9 h ASN 10 CO 1.16 1.32 -0.79 -0.89 -1.29 0.00 0.00 177.43 176.95 2ky9 s THR 11 N -2.64 0.89 0.06 -3.57 2.01 -0.75 -4.90 115.64 106.75 2ky9 s THR 11 Ca -0.06 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 2ky9 s THR 11 Cb 0.07 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2ky9 s THR 11 CO 0.85 0.19 0.08 -0.94 -0.69 0.00 0.00 174.62 174.11 2ky9 s SER 12 N -0.43 0.29 0.13 3.53 1.04 -1.26 -4.72 113.70 112.29 2ky9 s SER 12 Ca 0.03 -0.79 0.23 0.00 0.48 0.00 0.00 55.95 55.91 2ky9 s SER 12 Cb -0.05 0.26 0.07 0.00 0.10 0.00 0.00 66.02 66.40 2ky9 s SER 12 CO -0.00 -0.64 1.06 1.41 0.98 0.00 0.00 173.24 176.05 2ky9 n HIS 13 N 0.13 0.65 -4.35 5.02 8.25 -1.26 -4.91 115.22 118.74 2ky9 n HIS 13 Ca -0.15 0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 2ky9 n HIS 13 Cb 0.61 -0.74 -0.14 0.00 1.12 0.00 0.00 29.99 30.85 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 -3.29 0.86 0.27 -0.41 -1.94 -1.26 -5.08 119.30 108.44 2ky9 s MET 14 Ca 0.01 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2ky9 s MET 14 Cb 0.12 -0.83 0.52 0.00 2.01 0.00 0.00 34.83 36.64 2ky9 s MET 14 CO 0.79 0.21 1.81 1.57 -0.01 0.00 0.00 175.02 179.38 2ky9 h LYS 15 N 5.19 0.82 0.00 2.03 2.10 -1.97 -2.19 116.57 122.54 2ky9 h LYS 15 Ca -0.36 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2ky9 h LYS 15 Cb 1.18 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2ky9 h LYS 15 CO 0.45 0.54 -0.02 0.41 -2.00 0.00 0.00 179.45 178.84 2ky9 n GLY 16 N -1.33 -1.58 0.07 0.07 0.00 -1.26 -3.16 105.19 98.01 2ky9 n GLY 16 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.39 1.61 2.86 -1.75 -0.50 114.93 110.76 2ky9 h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2ky9 h MET 17 Cb 0.60 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.27 2ky9 h MET 17 CO 0.00 0.87 1.08 0.21 1.06 0.00 0.00 176.91 180.13 2ky9 s LYS 18 N -2.74 4.18 0.00 1.72 2.47 -1.19 -2.10 119.74 122.09 2ky9 s LYS 18 Ca 0.01 2.37 0.00 0.00 -1.56 0.00 0.00 55.97 56.79 2ky9 s LYS 18 Cb 0.09 -3.80 0.00 0.00 -1.46 0.00 0.00 37.83 32.66 2ky9 s LYS 18 CO 0.81 -0.81 0.00 0.41 0.16 0.00 0.00 175.35 175.92 2ky9 n GLY 19 N 4.15 0.84 3.81 5.54 0.00 -0.71 -4.79 105.19 114.04 2ky9 n GLY 19 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.29 3.03 -0.56 4.61 0.00 -0.89 -4.80 121.76 119.86 2ky9 s ALA 20 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2ky9 s ALA 20 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2ky9 s ALA 20 CO 0.00 0.07 1.01 -1.21 0.00 0.00 0.00 175.76 175.63 2ky9 s GLU 21 N -3.11 3.37 0.15 0.00 8.01 -1.26 -2.23 118.70 123.62 2ky9 s GLU 21 Ca 0.62 -0.15 0.03 0.00 0.01 0.00 0.00 54.97 55.49 2ky9 s GLU 21 Cb -0.11 -4.05 -0.04 0.00 -4.31 0.00 0.00 34.13 25.63 2ky9 s GLU 21 CO 0.15 -1.55 0.21 0.00 0.01 0.00 0.00 175.26 174.08 2ky9 s ALA 22 N 4.24 3.80 -0.16 5.21 0.00 0.05 -3.03 121.76 131.87 2ky9 s ALA 22 Ca 0.33 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2ky9 s ALA 22 Cb -0.11 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2ky9 s ALA 22 CO 0.20 0.55 -0.20 0.99 0.00 0.00 0.00 175.76 177.31 2ky9 s THR 23 N -1.71 1.97 -0.57 0.00 2.01 -0.45 -1.58 115.64 115.31 2ky9 s THR 23 Ca 0.33 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 2ky9 s THR 23 Cb -0.11 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 2ky9 s THR 23 CO 0.26 0.53 1.61 -0.69 -0.69 0.00 0.00 174.62 175.64 2ky9 s VAL 24 N 1.11 3.58 -0.56 3.82 1.01 -0.89 -2.58 120.40 125.89 2ky9 s VAL 24 Ca -0.00 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.50 2ky9 s VAL 24 Cb -0.14 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2ky9 s VAL 24 CO -0.08 -1.05 0.47 0.35 0.00 0.00 0.00 175.10 174.79 2ky9 n THR 25 N 7.01 0.00 -3.68 3.92 -2.24 -0.91 -1.12 114.28 117.25 2ky9 n THR 25 Ca 0.16 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2ky9 n THR 25 Cb 0.50 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.18 -0.14 -0.30 3.38 0.00 -0.88 -4.97 107.32 103.24 2ky9 s GLY 26 Ca 0.05 1.00 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 2ky9 s GLY 26 CO 0.19 1.76 0.13 0.00 0.00 0.00 0.00 173.10 175.18 2ky9 s ALA 27 N 2.04 3.24 -0.14 3.20 0.00 -1.26 -1.80 121.76 127.04 2ky9 s ALA 27 Ca -0.02 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 2ky9 s ALA 27 Cb -0.11 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.74 2ky9 s ALA 27 CO -0.09 -0.81 -0.10 0.71 0.00 0.00 0.00 175.76 175.47 2ky9 s TYR 28 N 1.61 1.83 -0.67 0.00 1.51 -0.71 -5.05 117.35 115.87 2ky9 s TYR 28 Ca 0.05 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.09 2ky9 s TYR 28 Cb -0.17 -1.41 0.17 0.00 -0.11 0.00 0.00 41.96 40.44 2ky9 s TYR 28 CO 0.05 -0.60 0.49 0.16 -1.11 0.00 0.00 175.55 174.55 2ky9 s ASP 29 N 1.60 5.21 0.38 2.29 -4.77 -1.26 -1.10 116.67 119.01 2ky9 s ASP 29 Ca 0.04 -3.15 0.06 0.00 -3.30 0.00 0.00 52.55 46.21 2ky9 s ASP 29 Cb -0.13 -1.82 -0.02 0.00 -1.09 0.00 0.00 42.92 39.86 2ky9 s ASP 29 CO -0.09 -0.28 0.23 0.28 0.70 0.00 0.00 175.17 176.00 2ky9 s THR 30 N -0.49 0.20 -0.13 2.11 -1.32 -1.26 -5.07 115.64 109.68 2ky9 s THR 30 Ca 0.20 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.38 2ky9 s THR 30 Cb -0.17 -2.40 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2ky9 s THR 30 CO -0.06 0.00 1.07 -0.89 -2.21 0.00 0.00 174.62 172.53 2ky9 s THR 31 N -3.30 4.62 -0.17 5.08 2.01 -1.26 -4.33 115.64 118.29 2ky9 s THR 31 Ca 0.33 1.91 -0.02 0.00 0.31 0.00 0.00 61.69 64.22 2ky9 s THR 31 Cb 0.02 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2ky9 s THR 31 CO 0.23 -0.05 -0.07 0.00 -0.69 0.00 0.00 174.62 174.04 2ky9 s ALA 32 N 2.43 2.80 0.08 7.40 0.00 -0.41 -2.15 121.76 131.90 2ky9 s ALA 32 Ca 0.49 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2ky9 s ALA 32 Cb -0.19 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2ky9 s ALA 32 CO 0.16 -0.01 0.13 0.71 0.00 0.00 0.00 175.76 176.75 2ky9 s TYR 33 N 0.77 3.32 -0.31 0.00 2.02 0.10 -1.56 117.35 121.69 2ky9 s TYR 33 Ca -0.03 0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.73 2ky9 s TYR 33 Cb -0.15 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2ky9 s TYR 33 CO 0.02 0.55 0.10 0.08 -1.57 0.00 0.00 175.55 174.73 2ky9 s VAL 34 N -1.45 4.10 0.06 0.71 1.01 -1.12 -3.60 120.40 120.11 2ky9 s VAL 34 Ca 0.32 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2ky9 s VAL 34 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2ky9 s VAL 34 CO 0.24 0.03 -0.19 0.68 0.00 0.00 0.00 175.10 175.86 2ky9 s VAL 35 N 1.51 1.57 -0.14 2.92 -7.23 -0.78 -0.96 120.40 117.29 2ky9 s VAL 35 Ca 0.02 -1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2ky9 s VAL 35 Cb -0.18 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2ky9 s VAL 35 CO 0.03 0.08 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.41 2ky9 s SER 36 N -1.40 4.65 0.14 4.85 0.01 -0.65 -0.23 113.70 121.06 2ky9 s SER 36 Ca 0.06 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 56.97 2ky9 s SER 36 Cb -0.09 -1.67 0.05 0.00 0.21 0.00 0.00 66.02 64.52 2ky9 s SER 36 CO 0.02 0.20 0.51 -0.72 0.41 0.00 0.00 173.24 173.66 2ky9 s TYR 37 N 0.19 -0.39 -0.28 2.43 1.13 -0.60 -1.52 117.35 118.31 2ky9 s TYR 37 Ca -0.03 0.14 -0.04 0.00 -1.41 0.00 0.00 57.07 55.73 2ky9 s TYR 37 Cb -0.14 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.16 2ky9 s TYR 37 CO 0.03 -0.78 0.02 0.99 -2.51 0.00 0.00 175.55 173.31 2ky9 s THR 38 N -3.72 3.40 -0.23 -3.49 2.01 -1.26 -1.68 115.64 110.67 2ky9 s THR 38 Ca 0.02 -0.96 -0.36 0.00 0.31 0.00 0.00 61.69 60.69 2ky9 s THR 38 Cb 0.00 -2.79 -0.13 0.00 0.01 0.00 0.00 72.50 69.60 2ky9 s THR 38 CO -0.12 0.07 1.94 -2.65 -0.69 0.00 0.00 174.62 173.17 2ky9 n PRO 39 N 4.75 1.53 0.00 4.92 -0.02 -1.26 -4.61 135.00 140.31 2ky9 n PRO 39 Ca -0.15 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 2ky9 n PRO 39 Cb 0.47 -2.44 0.32 0.00 -0.02 0.00 0.00 33.50 31.82 2ky9 n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ky9 n THR 40 N 5.67 0.78 1.51 3.45 -2.24 -0.53 -1.42 114.28 121.50 2ky9 n THR 40 Ca 0.30 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.41 2ky9 n THR 40 Cb 0.23 -0.97 0.76 0.00 -2.10 0.00 0.00 70.33 68.24 2ky9 n THR 40 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ky9 n ASN 41 N -1.35 0.00 -0.14 3.42 5.15 -1.26 -4.88 115.26 116.20 2ky9 n ASN 41 Ca 0.05 -0.46 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 2ky9 n ASN 41 Cb 0.12 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ky9 n GLY 42 N 0.90 1.04 1.39 8.20 0.00 -0.51 -5.02 105.19 111.20 2ky9 n GLY 42 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.64 0.41 3.64 -0.02 0.00 -0.87 -5.03 105.19 102.68 2ky9 n GLY 43 Ca 0.00 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ky9 s GLN 44 N -3.47 4.05 -0.27 1.61 1.11 -1.26 -4.56 119.66 116.87 2ky9 s GLN 44 Ca 0.24 1.55 -0.38 0.00 0.01 0.00 0.00 55.36 56.78 2ky9 s GLN 44 Cb -0.01 -3.86 -0.14 0.00 -1.01 0.00 0.00 33.01 27.98 2ky9 s GLN 44 CO 0.16 -0.95 1.87 -2.13 0.01 0.00 0.00 175.29 174.25 2ky9 n ARG 45 N 7.05 1.29 -3.73 2.91 3.00 -1.26 -4.49 116.66 121.43 2ky9 n ARG 45 Ca 0.15 0.45 -0.38 0.00 -0.00 0.00 0.00 57.85 58.08 2ky9 n ARG 45 Cb 0.45 -2.25 -0.12 0.00 0.00 0.00 0.00 32.46 30.54 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 4.45 4.18 -0.10 5.15 1.01 -0.67 -5.02 120.40 129.39 2ky9 s VAL 46 Ca 1.00 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 2ky9 s VAL 46 Cb -0.98 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2ky9 s VAL 46 CO 0.60 0.09 0.14 -1.81 0.00 0.00 0.00 175.10 174.12 2ky9 s ASP 47 N 1.54 6.32 -1.42 3.32 1.01 -1.26 -1.55 116.67 124.63 2ky9 s ASP 47 Ca 0.03 0.44 -0.10 0.00 0.71 0.00 0.00 52.55 53.63 2ky9 s ASP 47 Cb -0.17 -2.03 0.03 0.00 1.01 0.00 0.00 42.92 41.76 2ky9 s ASP 47 CO 0.04 0.39 1.08 1.41 0.21 0.00 0.00 175.17 178.30 2ky9 n HIS 48 N 1.86 -2.65 -1.79 4.23 8.25 -1.12 -4.93 115.22 119.06 2ky9 n HIS 48 Ca -0.19 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 2ky9 n HIS 48 Cb 0.55 -4.67 -0.03 0.00 1.12 0.00 0.00 29.99 26.96 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 -3.30 2.89 -0.03 4.41 5.04 0.67 -4.63 115.29 120.35 2ky9 s HIS 49 Ca 0.59 0.55 -0.14 0.00 -1.54 0.00 0.00 55.06 54.52 2ky9 s HIS 49 Cb -0.27 -4.07 0.02 0.00 0.04 0.00 0.00 32.58 28.30 2ky9 s HIS 49 CO 0.73 -3.88 0.30 -1.59 -2.34 0.00 0.00 174.74 167.95 2ky9 s LYS 50 N 0.62 0.61 -0.10 2.88 -2.85 -1.26 -1.86 119.74 117.77 2ky9 s LYS 50 Ca 0.70 -0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 55.55 2ky9 s LYS 50 Cb -0.48 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 35.54 2ky9 s LYS 50 CO 0.37 -0.16 -0.06 -1.58 0.10 0.00 0.00 175.35 174.02 2ky9 s TRP 51 N -1.11 2.98 0.07 1.78 0.52 -1.26 -4.91 118.94 117.02 2ky9 s TRP 51 Ca -0.12 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 55.97 2ky9 s TRP 51 Cb -0.05 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2ky9 s TRP 51 CO 0.03 0.18 -0.22 0.14 0.02 0.00 0.00 176.95 177.11 2ky9 s VAL 52 N -0.34 1.78 0.37 4.03 -7.23 -1.24 -3.66 120.40 114.11 2ky9 s VAL 52 Ca 0.05 -1.39 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 2ky9 s VAL 52 Cb -0.12 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2ky9 s VAL 52 CO 0.02 0.11 0.19 0.27 -0.31 0.00 0.00 175.10 175.38 2ky9 s ILE 53 N -0.95 2.78 0.38 -0.62 -4.36 -1.26 -0.72 121.20 116.44 2ky9 s ILE 53 Ca 0.08 -1.64 0.11 0.00 -0.26 0.00 0.00 60.65 58.95 2ky9 s ILE 53 Cb -0.09 -2.99 0.34 0.00 1.25 0.00 0.00 42.46 40.96 2ky9 s ILE 53 CO 0.03 -0.10 1.88 -0.61 0.24 0.00 0.00 174.94 176.38 2ky9 h GLN 54 N 1.43 0.57 0.00 0.37 4.15 -1.83 -1.87 115.11 117.94 2ky9 h GLN 54 Ca -0.43 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2ky9 h GLN 54 Cb 1.25 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2ky9 h GLN 54 CO 0.64 0.38 0.00 1.49 -1.93 0.00 0.00 178.83 179.41 2ky9 h GLU 55 N 0.59 0.00 -0.46 1.69 4.57 -1.96 -2.94 114.58 116.08 2ky9 h GLU 55 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2ky9 h GLU 55 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2ky9 h GLU 55 CO -0.18 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.04 2ky9 n GLU 56 N -2.97 2.21 -4.97 1.92 1.02 -0.70 -4.88 120.64 112.26 2ky9 n GLU 56 Ca 0.01 -1.86 -0.27 0.00 -0.02 0.00 0.00 57.16 55.01 2ky9 n GLU 56 Cb 0.30 -1.43 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ky9 s ILE 57 N -1.40 1.61 -0.04 -3.67 1.01 -1.11 -0.86 121.20 116.74 2ky9 s ILE 57 Ca 0.36 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 2ky9 s ILE 57 Cb 0.19 -1.37 -0.17 0.00 0.01 0.00 0.00 42.46 41.13 2ky9 s ILE 57 CO 0.26 0.46 0.96 0.50 0.00 0.00 0.00 174.94 177.11 2ky9 h LYS 58 N 6.03 -0.19 0.00 2.79 3.64 -1.80 -3.30 116.57 123.74 2ky9 h LYS 58 Ca -0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2ky9 h LYS 58 Cb 1.16 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2ky9 h LYS 58 CO 0.48 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 2ky9 n ASP 59 N -4.93 0.00 -0.33 4.20 9.92 -1.26 -3.82 116.55 120.33 2ky9 n ASP 59 Ca -0.08 -0.05 0.13 0.00 -0.53 0.00 0.00 54.79 54.26 2ky9 n ASP 59 Cb 0.27 -0.20 0.27 0.00 -0.64 0.00 0.00 41.12 40.82 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ky9 h ALA 60 N 2.65 1.11 -0.60 2.24 0.00 -1.86 -3.46 119.26 119.33 2ky9 h ALA 60 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 2ky9 h ALA 60 Cb 0.08 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2ky9 h ALA 60 CO 0.00 -0.54 -0.24 0.41 0.00 0.00 0.00 179.25 178.88 2ky9 n GLY 61 N -1.49 1.34 2.66 0.00 0.00 -1.25 -1.69 105.19 104.75 2ky9 n GLY 61 Ca 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.30 -5.03 -4.79 1.61 9.92 -1.26 -5.01 116.55 111.70 2ky9 n ASP 62 Ca -0.13 0.04 -0.23 0.00 -0.53 0.00 0.00 54.79 53.95 2ky9 n ASP 62 Cb 0.45 -2.68 -0.05 0.00 -0.64 0.00 0.00 41.12 38.19 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ky9 s LYS 63 N -1.60 2.40 -0.28 -1.24 -2.85 -0.68 -5.10 119.74 110.39 2ky9 s LYS 63 Ca 0.00 -1.61 -0.26 0.00 -1.00 0.00 0.00 55.97 53.09 2ky9 s LYS 63 Cb 0.00 -2.20 0.01 0.00 -2.06 0.00 0.00 37.83 33.58 2ky9 s LYS 63 CO 0.00 -0.04 0.93 0.99 0.10 0.00 0.00 175.35 177.33 2ky9 s THR 64 N -2.48 4.70 -0.20 3.79 2.01 -1.26 -4.92 115.64 117.28 2ky9 s THR 64 Ca 0.42 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 2ky9 s THR 64 Cb -0.01 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2ky9 s THR 64 CO 0.24 -0.26 1.32 -0.76 -0.69 0.00 0.00 174.62 174.47 2ky9 s LEU 65 N 3.19 4.09 0.18 4.42 1.43 -1.26 -5.02 118.68 125.70 2ky9 s LEU 65 Ca 0.39 1.59 0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2ky9 s LEU 65 Cb -0.14 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2ky9 s LEU 65 CO 0.11 -0.89 0.00 -1.10 0.23 0.00 0.00 176.35 174.70 2ky9 s GLN 66 N 3.80 2.41 -0.41 1.70 -0.21 -1.26 -4.36 119.66 121.33 2ky9 s GLN 66 Ca 0.57 -1.13 -0.40 0.00 0.02 0.00 0.00 55.36 54.42 2ky9 s GLN 66 Cb -0.21 -2.35 -0.15 0.00 1.00 0.00 0.00 33.01 31.30 2ky9 s GLN 66 CO 0.19 0.45 2.08 -2.30 -2.12 0.00 0.00 175.29 173.58 2ky9 n PRO 67 N -0.22 0.60 0.00 2.91 -0.02 -1.25 -1.40 135.00 135.62 2ky9 n PRO 67 Ca -0.09 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2ky9 n PRO 67 Cb 0.56 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 6.49 1.42 3.68 -1.23 0.00 -1.18 -5.07 105.19 109.31 2ky9 n GLY 68 Ca 0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.97 7.20 -0.26 1.61 1.01 -0.49 -4.96 116.67 118.81 2ky9 s ASP 69 Ca 0.00 1.50 -0.12 0.00 0.71 0.00 0.00 52.55 54.64 2ky9 s ASP 69 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2ky9 s ASP 69 CO 0.00 -0.51 0.25 -1.58 0.21 0.00 0.00 175.17 173.54 2ky9 s GLN 70 N 2.32 4.03 0.46 8.23 0.74 -1.26 -1.76 119.66 132.42 2ky9 s GLN 70 Ca 0.47 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.76 2ky9 s GLN 70 Cb -0.18 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 2ky9 s GLN 70 CO 0.15 -0.11 0.02 0.14 -0.55 0.00 0.00 175.29 174.94 2ky9 s VAL 71 N 1.57 1.30 -0.04 1.34 -7.23 0.03 -4.99 120.40 112.38 2ky9 s VAL 71 Ca 0.11 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 2ky9 s VAL 71 Cb -0.15 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 2ky9 s VAL 71 CO 0.08 0.00 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.01 2ky9 s ILE 72 N -2.90 1.88 -0.26 -0.62 -1.09 -1.26 -1.27 121.20 115.69 2ky9 s ILE 72 Ca 0.17 -0.99 -0.26 0.00 -2.23 0.00 0.00 60.65 57.34 2ky9 s ILE 72 Cb 0.04 -1.59 0.00 0.00 -1.58 0.00 0.00 42.46 39.34 2ky9 s ILE 72 CO 0.09 0.53 0.90 -0.76 -1.23 0.00 0.00 174.94 174.47 2ky9 s LEU 73 N -0.24 4.07 0.19 2.97 1.43 -1.10 -2.56 118.68 123.43 2ky9 s LEU 73 Ca 0.00 1.06 0.13 0.00 -1.03 0.00 0.00 54.13 54.30 2ky9 s LEU 73 Cb -0.12 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 2ky9 s LEU 73 CO 0.02 -0.61 1.28 -0.33 0.23 0.00 0.00 176.35 176.94 2ky9 h GLU 74 N 7.73 0.00 -7.03 1.70 4.39 -1.32 -2.49 114.58 117.56 2ky9 h GLU 74 Ca -0.22 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.00 2ky9 h GLU 74 Cb 1.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2ky9 h GLU 74 CO 0.92 0.60 0.27 0.00 -1.16 0.00 0.00 179.01 179.63 2ky9 s ALA 75 N -2.87 3.18 -0.06 3.43 0.00 -0.94 -4.87 121.76 119.62 2ky9 s ALA 75 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2ky9 s ALA 75 Cb 0.08 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.29 2ky9 s ALA 75 CO 0.78 -0.10 0.12 0.45 0.00 0.00 0.00 175.76 177.01 2ky9 s SER 76 N -2.99 0.48 -0.08 0.00 0.15 -1.26 -3.63 113.70 106.38 2ky9 s SER 76 Ca 0.56 0.23 0.14 0.00 0.70 0.00 0.00 55.95 57.58 2ky9 s SER 76 Cb -0.10 0.12 -0.20 0.00 -1.71 0.00 0.00 66.02 64.13 2ky9 s SER 76 CO 0.29 -0.20 0.19 1.41 1.20 0.00 0.00 173.24 176.13 2ky9 n HIS 77 N 4.84 0.00 -4.39 3.44 8.25 -1.26 -4.97 115.22 121.12 2ky9 n HIS 77 Ca -0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 2ky9 n HIS 77 Cb 0.50 -0.50 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2ky9 n HIS 77 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 78 N -2.69 1.47 0.15 -0.41 -1.94 -1.26 -5.10 119.30 109.52 2ky9 s MET 78 Ca -0.06 -1.74 -0.31 0.00 -1.71 0.00 0.00 55.69 51.87 2ky9 s MET 78 Cb 0.07 -1.00 -0.10 0.00 2.01 0.00 0.00 34.83 35.81 2ky9 s MET 78 CO 0.59 0.01 1.69 -1.59 -0.01 0.00 0.00 175.02 175.71 2ky9 s LYS 79 N -3.76 4.17 -0.14 2.03 0.00 -1.26 -2.59 119.74 118.19 2ky9 s LYS 79 Ca 0.29 2.48 0.00 0.00 0.00 0.00 0.00 55.97 58.73 2ky9 s LYS 79 Cb 0.04 -3.32 0.00 0.00 0.00 0.00 0.00 37.83 34.55 2ky9 s LYS 79 CO 0.11 -0.73 0.00 0.41 0.00 0.00 0.00 175.35 175.14 2ky9 n GLY 80 N 3.98 0.51 0.14 0.59 0.00 -1.26 -4.40 105.19 104.74 2ky9 n GLY 80 Ca 0.16 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 0.45 0.38 -6.27 1.61 -1.53 -1.84 -1.40 114.93 106.35 2ky9 h MET 81 Ca -0.03 -0.65 -0.55 0.00 -3.44 0.00 0.00 59.70 55.03 2ky9 h MET 81 Cb 0.15 0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 2ky9 h MET 81 CO 0.04 1.31 1.11 0.21 0.14 0.00 0.00 176.91 179.72 2ky9 s LYS 82 N -2.55 4.14 0.00 0.39 2.47 -1.24 -2.16 119.74 120.79 2ky9 s LYS 82 Ca -0.16 2.19 0.00 0.00 -1.56 0.00 0.00 55.97 56.44 2ky9 s LYS 82 Cb 0.05 -4.01 0.00 0.00 -1.46 0.00 0.00 37.83 32.41 2ky9 s LYS 82 CO 0.85 -0.90 0.00 0.41 0.16 0.00 0.00 175.35 175.87 2ky9 n GLY 83 N 4.21 0.81 3.75 5.54 0.00 -0.94 -4.98 105.19 113.58 2ky9 n GLY 83 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.67 3.44 -0.35 4.61 0.00 -0.92 -4.87 121.76 121.00 2ky9 s ALA 84 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 2ky9 s ALA 84 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2ky9 s ALA 84 CO 0.00 -0.34 1.14 0.99 0.00 0.00 0.00 175.76 177.55 2ky9 s THR 85 N -0.63 4.35 0.22 0.00 2.01 -1.26 -2.71 115.64 117.62 2ky9 s THR 85 Ca 0.49 1.52 0.09 0.00 0.31 0.00 0.00 61.69 64.10 2ky9 s THR 85 Cb -0.34 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 2ky9 s THR 85 CO 0.41 -0.61 -0.02 0.00 -0.69 0.00 0.00 174.62 173.71 2ky9 s ALA 86 N 4.02 3.13 -0.05 7.40 0.00 -0.40 -4.19 121.76 131.67 2ky9 s ALA 86 Ca 0.48 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2ky9 s ALA 86 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2ky9 s ALA 86 CO 0.21 0.37 -0.12 -2.00 0.00 0.00 0.00 175.76 174.22 2ky9 s GLU 87 N -3.28 1.51 -0.47 0.00 -6.30 -0.58 -0.79 118.70 108.79 2ky9 s GLU 87 Ca 0.29 -0.40 -0.28 0.00 -2.50 0.00 0.00 54.97 52.08 2ky9 s GLU 87 Cb -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 34.13 32.77 2ky9 s GLU 87 CO 0.18 0.07 1.49 0.42 0.02 0.00 0.00 175.26 177.44 2ky9 s ILE 88 N 0.50 3.77 0.16 -3.70 -1.09 -0.72 -1.63 121.20 118.48 2ky9 s ILE 88 Ca -0.11 0.73 -0.10 0.00 -2.23 0.00 0.00 60.65 58.94 2ky9 s ILE 88 Cb -0.14 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 2ky9 s ILE 88 CO 0.03 -0.88 1.52 0.44 -1.23 0.00 0.00 174.94 174.82 2ky9 h ASP 89 N 11.41 1.00 -4.72 3.58 3.32 -1.40 -3.12 116.42 126.48 2ky9 h ASP 89 Ca -0.28 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.40 2ky9 h ASP 89 Cb 1.11 -0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.23 2ky9 h ASP 89 CO 1.12 1.21 0.38 -0.55 -1.72 0.00 0.00 179.24 179.68 2ky9 s SER 90 N -6.78 -0.46 -0.12 6.45 0.15 -1.19 -4.52 113.70 107.22 2ky9 s SER 90 Ca -0.11 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2ky9 s SER 90 Cb 0.12 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 2ky9 s SER 90 CO 0.87 -0.68 -0.13 0.00 1.20 0.00 0.00 173.24 174.50 2ky9 s ALA 91 N -2.78 2.62 -0.04 5.45 0.00 -1.26 -2.77 121.76 122.98 2ky9 s ALA 91 Ca 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2ky9 s ALA 91 Cb -0.01 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 2ky9 s ALA 91 CO -0.06 0.29 -0.16 -2.00 0.00 0.00 0.00 175.76 173.83 2ky9 s GLU 92 N 0.21 1.68 -0.69 0.00 2.56 -0.60 -5.03 118.70 116.82 2ky9 s GLU 92 Ca -0.08 -0.57 -0.17 0.00 0.00 0.00 0.00 54.97 54.15 2ky9 s GLU 92 Cb -0.15 -1.47 0.15 0.00 2.00 0.00 0.00 34.13 34.66 2ky9 s GLU 92 CO 0.05 0.23 0.72 0.15 -0.56 0.00 0.00 175.26 175.85 2ky9 s LYS 93 N 0.04 3.27 0.03 4.30 -0.14 -1.26 -1.29 119.74 124.69 2ky9 s LYS 93 Ca -0.03 -1.83 0.02 0.00 -1.36 0.00 0.00 55.97 52.77 2ky9 s LYS 93 Cb -0.11 -4.40 -0.02 0.00 -1.68 0.00 0.00 37.83 31.62 2ky9 s LYS 93 CO 0.02 -1.44 -0.08 -0.08 -0.76 0.00 0.00 175.35 173.02 2ky9 s THR 94 N 1.62 0.53 -0.17 2.17 -1.32 -1.26 -5.05 115.64 112.16 2ky9 s THR 94 Ca 0.14 -0.94 -0.25 0.00 -1.21 0.00 0.00 61.69 59.42 2ky9 s THR 94 Cb -0.19 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2ky9 s THR 94 CO -0.01 -0.29 0.84 -0.89 -2.21 0.00 0.00 174.62 172.05 2ky9 s THR 95 N -1.16 4.88 -0.09 5.08 2.01 -1.26 -4.44 115.64 120.66 2ky9 s THR 95 Ca -0.08 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.58 2ky9 s THR 95 Cb -0.09 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2ky9 s THR 95 CO 0.00 0.02 -0.11 0.68 -0.69 0.00 0.00 174.62 174.52 2ky9 s VAL 96 N 2.16 3.27 0.00 3.82 -7.23 -0.26 -1.15 120.40 121.02 2ky9 s VAL 96 Ca 0.39 -0.62 0.08 0.00 -1.81 0.00 0.00 61.98 60.02 2ky9 s VAL 96 Cb -0.17 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2ky9 s VAL 96 CO 0.12 0.56 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.91 2ky9 s TYR 97 N -0.31 2.32 -0.40 2.82 2.02 -0.05 -1.74 117.35 122.01 2ky9 s TYR 97 Ca 0.03 -0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 56.09 2ky9 s TYR 97 Cb -0.13 -1.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 2ky9 s TYR 97 CO 0.03 0.02 0.69 1.41 -1.57 0.00 0.00 175.55 176.12 2ky9 s MET 98 N -0.83 3.53 0.25 -0.62 -2.45 -0.75 -3.57 119.30 114.86 2ky9 s MET 98 Ca 0.11 -0.06 0.09 0.00 -1.25 0.00 0.00 55.69 54.58 2ky9 s MET 98 Cb -0.10 -3.87 -0.05 0.00 1.25 0.00 0.00 34.83 32.06 2ky9 s MET 98 CO 0.00 -0.90 -0.15 0.14 1.05 0.00 0.00 175.02 175.16 2ky9 s VAL 99 N 2.91 2.05 -0.21 10.11 -7.23 -1.18 -2.07 120.40 124.79 2ky9 s VAL 99 Ca 0.26 -2.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2ky9 s VAL 99 Cb -0.14 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.61 2ky9 s VAL 99 CO 0.18 -0.46 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.53 2ky9 s ASP 100 N -3.42 3.58 0.30 4.85 1.11 -1.07 -0.70 116.67 121.33 2ky9 s ASP 100 Ca 0.27 -0.86 0.07 0.00 0.18 0.00 0.00 52.55 52.21 2ky9 s ASP 100 Cb -0.02 -1.51 -0.06 0.00 1.07 0.00 0.00 42.92 42.40 2ky9 s ASP 100 CO 0.11 -0.06 -0.06 -0.72 1.18 0.00 0.00 175.17 175.62 2ky9 s TYR 101 N 1.24 2.08 -0.32 4.23 1.13 -0.83 -1.34 117.35 123.54 2ky9 s TYR 101 Ca 0.01 -0.66 -0.07 0.00 -1.41 0.00 0.00 57.07 54.94 2ky9 s TYR 101 Cb -0.15 -1.21 0.03 0.00 -1.10 0.00 0.00 41.96 39.53 2ky9 s TYR 101 CO -0.10 0.34 0.09 0.99 -2.51 0.00 0.00 175.55 174.37 2ky9 s THR 102 N -2.92 3.83 0.05 -3.49 2.01 -1.17 -0.89 115.64 113.07 2ky9 s THR 102 Ca 0.31 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 2ky9 s THR 102 Cb 0.04 -3.10 -0.10 0.00 0.01 0.00 0.00 72.50 69.34 2ky9 s THR 102 CO 0.13 -0.09 1.89 -1.54 -0.69 0.00 0.00 174.62 174.33 2ky9 n SER 103 N 4.83 3.96 0.23 3.53 3.41 -0.05 -4.34 113.62 125.20 2ky9 n SER 103 Ca -0.13 0.95 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 2ky9 n SER 103 Cb 0.46 -1.50 0.51 0.00 -0.26 0.00 0.00 64.21 63.42 2ky9 n SER 103 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ky9 h THR 104 N 5.14 0.45 0.00 6.66 1.35 -1.39 -0.01 112.91 125.12 2ky9 h THR 104 Ca -0.48 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2ky9 h THR 104 Cb 1.24 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2ky9 h THR 104 CO 0.94 0.17 -0.42 1.07 -0.25 0.00 0.00 175.52 177.03 2ky9 n THR 105 N -3.35 0.06 0.00 6.82 5.66 -1.26 -4.55 114.28 117.66 2ky9 n THR 105 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2ky9 n THR 105 Cb 0.40 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2ky9 n THR 105 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2ky9 n SER 106 N -1.59 1.03 0.00 1.09 7.64 -1.22 -5.05 113.62 115.52 2ky9 n SER 106 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2ky9 n SER 106 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 2.02 0.51 3.76 0.23 0.00 -0.02 -5.08 105.19 106.61 2ky9 n GLY 107 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.89 4.79 -0.13 1.61 2.56 -1.26 -4.78 118.70 120.60 2ky9 s GLU 108 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 54.97 56.26 2ky9 s GLU 108 Cb 0.00 -3.26 -0.05 0.00 2.00 0.00 0.00 34.13 32.82 2ky9 s GLU 108 CO 0.00 0.52 0.28 0.21 -0.56 0.00 0.00 175.26 175.72 2ky9 s LYS 109 N -1.21 4.10 -0.16 4.30 2.20 -1.26 -0.87 119.74 126.85 2ky9 s LYS 109 Ca 0.40 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.09 2ky9 s LYS 109 Cb -0.25 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2ky9 s LYS 109 CO 0.31 0.38 -0.06 0.08 -0.36 0.00 0.00 175.35 175.69 2ky9 s VAL 110 N 0.05 3.57 -0.13 4.02 1.01 -0.07 -4.99 120.40 123.85 2ky9 s VAL 110 Ca 0.17 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2ky9 s VAL 110 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2ky9 s VAL 110 CO 0.05 0.49 0.08 -0.54 0.00 0.00 0.00 175.10 175.18 2ky9 s LYS 111 N 0.53 3.50 -1.41 2.72 3.01 -1.26 -1.97 119.74 124.86 2ky9 s LYS 111 Ca -0.05 -0.27 -0.08 0.00 -1.01 0.00 0.00 55.97 54.56 2ky9 s LYS 111 Cb -0.15 -3.10 0.04 0.00 -1.01 0.00 0.00 37.83 33.62 2ky9 s LYS 111 CO 0.03 0.59 0.99 0.09 0.51 0.00 0.00 175.35 177.56 2ky9 n ASN 112 N 2.53 -4.27 -4.74 2.83 5.03 -1.07 -4.95 115.26 110.63 2ky9 n ASN 112 Ca -0.18 -0.70 -0.42 0.00 0.87 0.00 0.00 54.58 54.15 2ky9 n ASN 112 Cb 0.54 -4.37 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 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 -3.38 2.91 -0.02 3.10 2.46 0.13 -4.77 115.29 115.71 2ky9 s HIS 113 Ca 0.45 0.70 0.02 0.00 0.47 0.00 0.00 55.06 56.70 2ky9 s HIS 113 Cb -0.21 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 2ky9 s HIS 113 CO 0.79 -3.53 -0.07 0.15 -2.47 0.00 0.00 174.74 169.61 2ky9 s LYS 114 N 0.27 0.76 0.05 2.88 1.02 -1.26 -3.08 119.74 120.37 2ky9 s LYS 114 Ca 0.67 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.48 2ky9 s LYS 114 Cb -0.46 -0.73 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 2ky9 s LYS 114 CO 0.40 0.09 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.19 2ky9 s TRP 115 N 0.19 2.66 0.10 3.18 0.52 -1.24 -4.88 118.94 119.47 2ky9 s TRP 115 Ca -0.02 -0.19 0.10 0.00 0.02 0.00 0.00 56.10 56.01 2ky9 s TRP 115 Cb -0.07 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 2ky9 s TRP 115 CO 0.00 0.32 -0.26 0.14 0.02 0.00 0.00 176.95 177.17 2ky9 s VAL 116 N -1.01 2.28 0.35 4.03 -7.23 -1.23 -4.01 120.40 113.57 2ky9 s VAL 116 Ca 0.17 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2ky9 s VAL 116 Cb -0.11 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 2ky9 s VAL 116 CO 0.08 0.18 0.51 0.42 -0.31 0.00 0.00 175.10 175.97 2ky9 s THR 117 N -0.99 4.29 0.40 5.32 -4.23 -1.26 -0.87 115.64 118.30 2ky9 s THR 117 Ca 0.14 -0.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2ky9 s THR 117 Cb -0.10 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 70.46 2ky9 s THR 117 CO 0.05 -0.25 2.02 -0.08 -0.54 0.00 0.00 174.62 175.82 2ky9 h GLU 118 N 0.80 0.51 -0.47 3.99 4.81 -1.50 -2.85 114.58 119.86 2ky9 h GLU 118 Ca -0.47 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 2ky9 h GLU 118 Cb 1.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2ky9 h GLU 118 CO 0.56 0.39 0.00 0.22 -0.73 0.00 0.00 179.01 179.44 2ky9 h ASP 119 N 0.51 0.74 -0.60 1.04 3.58 -1.95 -3.11 116.42 116.63 2ky9 h ASP 119 Ca 0.13 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2ky9 h ASP 119 Cb 0.04 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2ky9 h ASP 119 CO -0.02 0.81 0.00 -1.84 -2.88 0.00 0.00 179.24 175.31 2ky9 n GLU 120 N -4.22 2.39 -4.50 0.28 0.28 -1.08 -4.84 120.64 108.95 2ky9 n GLU 120 Ca 0.02 -2.15 -0.25 0.00 -0.16 0.00 0.00 57.16 54.63 2ky9 n GLU 120 Cb 0.30 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.60 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ky9 s LEU 121 N -1.00 2.65 -0.05 -1.84 1.43 -1.18 -1.15 118.68 117.55 2ky9 s LEU 121 Ca 0.40 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2ky9 s LEU 121 Cb 0.21 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.42 2ky9 s LEU 121 CO 0.27 -0.08 0.04 -0.44 0.23 0.00 0.00 176.35 176.38 2ky9 s SER 122 N -3.55 1.19 -0.24 2.29 0.01 -0.09 -4.74 113.70 108.57 2ky9 s SER 122 Ca 0.31 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.31 2ky9 s SER 122 Cb -0.01 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2ky9 s SER 122 CO 0.15 -0.23 1.50 0.00 0.41 0.00 0.00 173.24 175.08 2ky9 s ALA 123 N 2.05 3.32 -0.19 1.44 0.00 -1.26 -0.92 121.76 126.20 2ky9 s ALA 123 Ca 0.04 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2ky9 s ALA 123 Cb -0.12 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.20 2ky9 s ALA 123 CO -0.03 -1.85 -0.19 0.21 0.00 0.00 0.00 175.76 173.90 2ky9 s LYS 124 N 4.46 2.94 0.59 0.00 2.20 -0.79 -4.97 119.74 124.17 2ky9 s LYS 124 Ca 0.66 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2ky9 s LYS 124 Cb -0.22 -2.61 0.09 0.00 -1.51 0.00 0.00 37.83 33.58 2ky9 s LYS 124 CO 0.27 -0.24 0.81 -0.48 -0.36 0.00 0.00 175.35 175.35 2ky9 s LEU 125 N 1.28 3.10 0.42 5.43 2.34 -1.26 -4.60 118.68 125.39 2ky9 s LEU 125 Ca 0.04 -0.78 -0.26 0.00 0.06 0.00 0.00 54.13 53.20 2ky9 s LEU 125 Cb -0.14 -1.70 -0.08 0.00 -0.56 0.00 0.00 46.19 43.71 2ky9 s LEU 125 CO -0.12 -1.39 1.31 -1.61 -1.06 0.00 0.00 176.35 173.47 2ky9 s GLU 126 N -4.72 3.90 0.67 1.48 2.02 -1.26 -5.04 118.70 115.76 2ky9 s GLU 126 Ca 0.62 2.15 -0.12 0.00 0.02 0.00 0.00 54.97 57.64 2ky9 s GLU 126 Cb -0.06 -2.71 -0.00 0.00 0.10 0.00 0.00 34.13 31.46 2ky9 s GLU 126 CO 0.40 -0.55 1.06 -1.01 0.02 0.00 0.00 175.26 175.18 2ky9 s HIS 127 N -1.28 3.06 -1.14 1.61 3.76 -1.26 -4.93 115.29 115.12 2ky9 s HIS 127 Ca 0.58 1.45 -0.23 0.00 -0.15 0.00 0.00 55.06 56.72 2ky9 s HIS 127 Cb -0.38 -2.92 -0.07 0.00 1.11 0.00 0.00 32.58 30.32 2ky9 s HIS 127 CO 0.48 -1.22 1.92 -1.58 -0.85 0.00 0.00 174.74 173.49 2ky9 s HIS 128 N -2.87 1.98 0.00 1.40 2.46 -1.26 -4.21 115.29 112.80 2ky9 s HIS 128 Ca 0.60 0.35 0.00 0.00 0.47 0.00 0.00 55.06 56.48 2ky9 s HIS 128 Cb -0.15 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 2ky9 s HIS 128 CO 0.50 -1.35 0.00 1.58 -2.47 0.00 0.00 174.74 173.00 2ky9 n HIS 129 N 13.87 0.00 -1.40 3.88 -0.00 -1.26 -5.08 115.22 125.24 2ky9 n HIS 129 Ca 0.44 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.85 2ky9 n HIS 129 Cb 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.54 2ky9 n HIS 129 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ky9 s HIS 130 N -0.36 2.75 -1.30 1.57 4.02 -1.26 -4.97 115.29 115.74 2ky9 s HIS 130 Ca 0.00 1.41 -0.15 0.00 1.02 0.00 0.00 55.06 57.33 2ky9 s HIS 130 Cb 0.00 -3.02 0.10 0.00 -1.02 0.00 0.00 32.58 28.64 2ky9 s HIS 130 CO 0.00 -1.70 1.75 0.72 1.02 0.00 0.00 174.74 176.54 2ky9 n HIS 131 N -3.44 4.38 -1.26 1.40 8.25 -1.26 -5.21 115.22 118.08 2ky9 n HIS 131 Ca 0.08 -3.00 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 2ky9 n HIS 131 Cb 0.54 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 29.22 2ky9 n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56