#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 3.54 0.00 3.17 -0.14 -1.26 -5.03 119.74 120.03 2ky9 s LYS 2 Ca 0.00 -0.04 -0.30 0.00 -1.36 0.00 0.00 55.97 54.27 2ky9 s LYS 2 Cb 0.00 -2.54 -0.06 0.00 -1.68 0.00 0.00 37.83 33.55 2ky9 s LYS 2 CO 0.00 0.02 1.55 0.08 -0.76 0.00 0.00 175.35 176.24 2ky9 s VAL 3 N -2.44 3.48 0.00 3.17 1.01 -1.26 -2.36 120.40 122.00 2ky9 s VAL 3 Ca 0.44 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2ky9 s VAL 3 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2ky9 s VAL 3 CO 0.38 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2ky9 n GLY 4 N 3.89 0.57 3.76 4.51 0.00 0.06 -5.01 105.19 112.97 2ky9 n GLY 4 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.04 7.38 -0.35 1.61 0.01 -1.00 -4.80 113.70 114.51 2ky9 s SER 5 Ca 0.00 2.11 -0.20 0.00 1.31 0.00 0.00 55.95 59.17 2ky9 s SER 5 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2ky9 s SER 5 CO 0.00 -0.05 0.63 -1.10 0.41 0.00 0.00 173.24 173.13 2ky9 s GLN 6 N -1.45 3.68 0.12 12.44 1.11 -1.26 -1.66 119.66 132.64 2ky9 s GLN 6 Ca 0.44 0.05 0.06 0.00 0.01 0.00 0.00 55.36 55.92 2ky9 s GLN 6 Cb -0.28 -3.81 -0.04 0.00 -1.01 0.00 0.00 33.01 27.87 2ky9 s GLN 6 CO 0.36 -0.72 -0.16 0.14 0.01 0.00 0.00 175.29 174.92 2ky9 s VAL 7 N 2.68 1.43 -0.26 1.09 -7.23 -0.57 -3.14 120.40 114.40 2ky9 s VAL 7 Ca 0.24 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 2ky9 s VAL 7 Cb -0.15 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 2ky9 s VAL 7 CO 0.15 -0.33 0.17 -0.63 -0.31 0.00 0.00 175.10 174.14 2ky9 s ILE 8 N -1.90 5.23 -0.21 -0.62 -1.09 0.61 -0.63 121.20 122.59 2ky9 s ILE 8 Ca 0.08 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.36 2ky9 s ILE 8 Cb -0.06 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2ky9 s ILE 8 CO 0.04 0.29 1.03 -0.63 -1.23 0.00 0.00 174.94 174.44 2ky9 s ILE 9 N 1.48 4.70 -2.56 2.92 1.01 -0.61 -1.02 121.20 127.12 2ky9 s ILE 9 Ca 0.07 2.02 0.26 0.00 0.00 0.00 0.00 60.65 62.99 2ky9 s ILE 9 Cb -0.15 -4.30 0.46 0.00 0.01 0.00 0.00 42.46 38.47 2ky9 s ILE 9 CO 0.08 -0.15 1.60 -3.20 0.00 0.00 0.00 174.94 173.27 2ky9 n ASN 10 N 6.12 1.94 -3.96 3.58 5.15 -0.79 -1.17 115.26 126.13 2ky9 n ASN 10 Ca 0.11 -1.66 -0.09 0.00 -0.60 0.00 0.00 54.58 52.34 2ky9 n ASN 10 Cb 0.46 -0.03 -0.10 0.00 -0.53 0.00 0.00 39.78 39.59 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ky9 s THR 11 N -1.94 0.14 -0.22 -0.44 2.01 -1.17 -2.93 115.64 111.09 2ky9 s THR 11 Ca 0.35 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2ky9 s THR 11 Cb 0.20 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.89 2ky9 s THR 11 CO 0.31 -0.63 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.55 2ky9 s SER 12 N -2.09 3.85 -0.16 3.53 1.04 -1.26 -3.73 113.70 114.88 2ky9 s SER 12 Ca -0.06 -0.84 0.11 0.00 0.48 0.00 0.00 55.95 55.64 2ky9 s SER 12 Cb -0.02 -1.57 -0.23 0.00 0.10 0.00 0.00 66.02 64.30 2ky9 s SER 12 CO -0.04 -0.08 0.20 1.41 0.98 0.00 0.00 173.24 175.71 2ky9 n HIS 13 N 4.61 0.40 -4.12 5.02 8.25 -1.26 -4.94 115.22 123.18 2ky9 n HIS 13 Ca -0.18 0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 2ky9 n HIS 13 Cb 0.48 -1.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.44 2ky9 n HIS 13 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 14 N -2.53 2.65 0.18 -0.41 -1.94 -1.26 -5.07 119.30 110.92 2ky9 s MET 14 Ca -0.15 -0.78 -0.13 0.00 -1.71 0.00 0.00 55.69 52.92 2ky9 s MET 14 Cb 0.07 -2.60 0.12 0.00 2.01 0.00 0.00 34.83 34.43 2ky9 s MET 14 CO 0.78 0.55 1.81 -0.22 -0.01 0.00 0.00 175.02 177.93 2ky9 h LYS 15 N 3.49 0.59 -0.04 2.03 1.63 -1.99 -2.51 116.57 119.76 2ky9 h LYS 15 Ca -0.48 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 2ky9 h LYS 15 Cb 1.17 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2ky9 h LYS 15 CO 0.61 0.39 0.00 0.41 -3.45 0.00 0.00 179.45 177.41 2ky9 n GLY 16 N -1.25 -0.54 0.10 5.01 0.00 -1.26 -4.13 105.19 103.12 2ky9 n GLY 16 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 0.92 0.00 -6.27 1.61 1.85 -1.77 -1.12 114.93 110.15 2ky9 h MET 17 Ca 0.00 0.00 -0.55 0.00 -0.61 0.00 0.00 59.70 58.54 2ky9 h MET 17 Cb 0.20 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.22 2ky9 h MET 17 CO 0.00 0.41 1.12 0.21 -0.40 0.00 0.00 176.91 178.24 2ky9 s LYS 18 N -2.86 4.11 0.00 0.39 2.20 -1.24 -2.10 119.74 120.24 2ky9 s LYS 18 Ca -0.02 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 2ky9 s LYS 18 Cb 0.08 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2ky9 s LYS 18 CO 0.80 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 2ky9 n GLY 19 N 4.27 0.95 3.81 5.54 0.00 -0.32 -4.97 105.19 114.47 2ky9 n GLY 19 Ca 0.18 0.00 -0.33 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 -3.79 2.93 -0.38 4.61 0.00 -0.89 -4.75 121.76 119.50 2ky9 s ALA 20 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 2ky9 s ALA 20 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2ky9 s ALA 20 CO 0.00 -0.22 0.46 -2.00 0.00 0.00 0.00 175.76 174.00 2ky9 s GLU 21 N -3.41 3.41 0.47 0.00 2.12 -1.26 -1.57 118.70 118.45 2ky9 s GLU 21 Ca 0.64 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.57 2ky9 s GLU 21 Cb -0.13 -3.87 0.02 0.00 0.26 0.00 0.00 34.13 30.40 2ky9 s GLU 21 CO 0.21 -0.71 0.66 0.00 -0.54 0.00 0.00 175.26 174.88 2ky9 s ALA 22 N 2.25 4.10 -0.11 6.30 0.00 0.19 -4.22 121.76 130.27 2ky9 s ALA 22 Ca 0.15 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2ky9 s ALA 22 Cb -0.16 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2ky9 s ALA 22 CO 0.13 -0.46 -0.13 0.99 0.00 0.00 0.00 175.76 176.29 2ky9 s THR 23 N -2.53 1.39 -0.32 0.00 2.01 0.17 -1.51 115.64 114.85 2ky9 s THR 23 Ca 0.54 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 2ky9 s THR 23 Cb -0.10 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 2ky9 s THR 23 CO 0.36 0.42 1.78 -0.69 -0.69 0.00 0.00 174.62 175.80 2ky9 s VAL 24 N 1.21 3.49 -0.65 3.82 1.01 -0.66 -1.30 120.40 127.31 2ky9 s VAL 24 Ca -0.03 0.50 0.23 0.00 0.00 0.00 0.00 61.98 62.68 2ky9 s VAL 24 Cb -0.14 -3.65 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 2ky9 s VAL 24 CO -0.04 -0.40 0.98 0.35 0.00 0.00 0.00 175.10 175.98 2ky9 n THR 25 N 7.35 0.12 -3.50 3.92 -2.24 0.32 -0.76 114.28 119.49 2ky9 n THR 25 Ca 0.23 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 2ky9 n THR 25 Cb 0.47 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 2ky9 n THR 25 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ky9 s GLY 26 N -3.58 -0.51 -0.20 3.38 0.00 -0.23 -4.96 107.32 101.21 2ky9 s GLY 26 Ca 0.04 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 2ky9 s GLY 26 CO 0.82 0.65 0.00 0.00 0.00 0.00 0.00 173.10 174.57 2ky9 s ALA 27 N -2.19 1.34 -0.18 3.20 0.00 -1.26 -1.59 121.76 121.08 2ky9 s ALA 27 Ca -0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2ky9 s ALA 27 Cb -0.01 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 2ky9 s ALA 27 CO -0.01 -1.15 -0.12 0.71 0.00 0.00 0.00 175.76 175.19 2ky9 s TYR 28 N 1.70 2.85 -0.84 0.00 1.51 -0.48 -5.03 117.35 117.05 2ky9 s TYR 28 Ca -0.02 -1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 54.91 2ky9 s TYR 28 Cb -0.17 -1.96 0.21 0.00 -0.11 0.00 0.00 41.96 39.92 2ky9 s TYR 28 CO -0.07 -0.52 0.74 0.16 -1.11 0.00 0.00 175.55 174.74 2ky9 s ASP 29 N 1.07 6.26 0.30 2.29 -4.77 -1.26 -1.04 116.67 119.51 2ky9 s ASP 29 Ca -0.00 -3.13 0.03 0.00 -3.30 0.00 0.00 52.55 46.14 2ky9 s ASP 29 Cb -0.15 -2.04 -0.04 0.00 -1.09 0.00 0.00 42.92 39.60 2ky9 s ASP 29 CO -0.03 -0.38 0.13 0.28 0.70 0.00 0.00 175.17 175.88 2ky9 s THR 30 N -0.50 0.46 -0.13 2.11 -1.32 -1.26 -5.05 115.64 109.96 2ky9 s THR 30 Ca 0.22 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.41 2ky9 s THR 30 Cb -0.12 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2ky9 s THR 30 CO -0.08 0.00 1.08 -0.89 -2.21 0.00 0.00 174.62 172.52 2ky9 s THR 31 N -3.61 4.60 -0.01 5.08 2.01 -1.26 -4.01 115.64 118.43 2ky9 s THR 31 Ca 0.35 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 64.25 2ky9 s THR 31 Cb 0.06 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2ky9 s THR 31 CO 0.16 -0.05 0.06 0.00 -0.69 0.00 0.00 174.62 174.10 2ky9 s ALA 32 N 2.44 3.52 0.08 7.40 0.00 -0.15 -2.75 121.76 132.30 2ky9 s ALA 32 Ca 0.50 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2ky9 s ALA 32 Cb -0.19 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2ky9 s ALA 32 CO 0.16 0.67 -0.16 0.71 0.00 0.00 0.00 175.76 177.14 2ky9 s TYR 33 N -1.15 1.40 -0.19 0.00 2.02 0.68 -1.48 117.35 118.63 2ky9 s TYR 33 Ca 0.21 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2ky9 s TYR 33 Cb -0.12 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 2ky9 s TYR 33 CO 0.12 0.10 0.04 0.08 -1.57 0.00 0.00 175.55 174.32 2ky9 s VAL 34 N -1.19 4.43 0.21 0.71 1.01 -0.64 -2.40 120.40 122.52 2ky9 s VAL 34 Ca 0.01 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2ky9 s VAL 34 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2ky9 s VAL 34 CO 0.03 0.43 -0.11 0.68 0.00 0.00 0.00 175.10 176.13 2ky9 s VAL 35 N 0.72 1.55 -0.09 2.92 -7.23 -1.01 -0.49 120.40 116.77 2ky9 s VAL 35 Ca 0.02 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 2ky9 s VAL 35 Cb -0.14 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2ky9 s VAL 35 CO 0.02 -0.55 -0.10 -0.55 -0.31 0.00 0.00 175.10 173.61 2ky9 s SER 36 N -3.31 1.97 0.10 4.85 0.15 -0.45 -0.61 113.70 116.41 2ky9 s SER 36 Ca 0.23 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.41 2ky9 s SER 36 Cb 0.01 -0.84 0.04 0.00 -1.71 0.00 0.00 66.02 63.52 2ky9 s SER 36 CO 0.07 -0.04 0.41 -0.72 1.20 0.00 0.00 173.24 174.16 2ky9 s TYR 37 N 1.15 -0.24 -0.31 3.44 1.13 -0.75 -1.01 117.35 120.76 2ky9 s TYR 37 Ca -0.05 0.01 -0.06 0.00 -1.41 0.00 0.00 57.07 55.56 2ky9 s TYR 37 Cb -0.14 0.26 0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2ky9 s TYR 37 CO -0.02 -0.67 0.08 0.99 -2.51 0.00 0.00 175.55 173.42 2ky9 s THR 38 N -3.40 3.76 0.09 -3.49 2.01 -1.26 -0.56 115.64 112.78 2ky9 s THR 38 Ca 0.00 -0.96 -0.35 0.00 0.31 0.00 0.00 61.69 60.70 2ky9 s THR 38 Cb 0.01 -3.04 -0.15 0.00 0.01 0.00 0.00 72.50 69.33 2ky9 s THR 38 CO -0.09 -0.04 1.52 -0.81 -0.69 0.00 0.00 174.62 174.51 2ky9 n PRO 39 N 4.82 1.73 0.27 4.92 -0.04 -1.26 -4.73 135.00 140.71 2ky9 n PRO 39 Ca -0.14 0.63 0.18 0.00 -0.04 0.00 0.00 63.50 64.13 2ky9 n PRO 39 Cb 0.46 -2.35 0.93 0.00 -0.04 0.00 0.00 33.50 32.50 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 3.74 0.00 0.00 0.52 1.35 -1.31 -1.79 112.91 115.42 2ky9 h THR 40 Ca -0.46 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2ky9 h THR 40 Cb 1.29 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2ky9 h THR 40 CO 0.86 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.93 2ky9 n ASN 41 N -2.83 0.01 -0.72 5.36 5.15 -1.26 -4.87 115.26 116.09 2ky9 n ASN 41 Ca -0.02 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 2ky9 n ASN 41 Cb 0.12 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 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 -0.78 0.62 3.65 8.20 0.00 -0.69 -5.10 105.19 111.10 2ky9 n GLY 42 Ca 0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2ky9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ky9 s GLY 43 N -2.36 2.57 0.27 -0.02 0.00 -1.15 -5.08 107.32 101.55 2ky9 s GLY 43 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 44.72 42.38 2ky9 s GLY 43 CO 0.00 -2.10 1.52 -0.86 0.00 0.00 0.00 173.10 171.66 2ky9 s GLN 44 N -3.74 4.19 0.09 2.90 -2.07 -1.26 -4.41 119.66 115.36 2ky9 s GLN 44 Ca 0.31 2.44 -0.31 0.00 -1.82 0.00 0.00 55.36 55.98 2ky9 s GLN 44 Cb 0.09 -3.07 -0.11 0.00 -1.09 0.00 0.00 33.01 28.83 2ky9 s GLN 44 CO 0.16 -0.53 1.86 -2.13 -1.32 0.00 0.00 175.29 173.33 2ky9 n ARG 45 N 2.30 2.71 -2.90 9.60 0.63 -1.26 -4.56 116.66 123.19 2ky9 n ARG 45 Ca 0.08 0.99 -0.43 0.00 -0.92 0.00 0.00 57.85 57.56 2ky9 n ARG 45 Cb 0.39 -2.88 -0.05 0.00 0.45 0.00 0.00 32.46 30.37 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 3.12 4.54 -0.12 5.15 1.01 0.27 -4.95 120.40 129.42 2ky9 s VAL 46 Ca 0.84 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 2ky9 s VAL 46 Cb -0.51 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 2ky9 s VAL 46 CO 0.40 -0.86 0.10 -1.81 0.00 0.00 0.00 175.10 172.94 2ky9 s ASP 47 N 2.37 6.08 -1.47 3.32 1.01 -1.26 -1.81 116.67 124.91 2ky9 s ASP 47 Ca 0.31 0.37 -0.08 0.00 0.71 0.00 0.00 52.55 53.86 2ky9 s ASP 47 Cb -0.12 -1.93 0.03 0.00 1.01 0.00 0.00 42.92 41.91 2ky9 s ASP 47 CO 0.22 0.38 0.83 1.41 0.21 0.00 0.00 175.17 178.23 2ky9 n HIS 48 N 2.14 -2.30 -1.76 4.23 8.25 -0.85 -4.94 115.22 120.00 2ky9 n HIS 48 Ca -0.19 0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 2ky9 n HIS 48 Cb 0.54 -4.43 -0.03 0.00 1.12 0.00 0.00 29.99 27.19 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 -3.21 2.88 -0.02 4.41 5.04 0.23 -4.74 115.29 119.87 2ky9 s HIS 49 Ca 0.46 0.36 0.03 0.00 -1.54 0.00 0.00 55.06 54.37 2ky9 s HIS 49 Cb -0.21 -4.11 -0.00 0.00 0.04 0.00 0.00 32.58 28.29 2ky9 s HIS 49 CO 0.57 -4.23 -0.12 0.15 -2.34 0.00 0.00 174.74 168.76 2ky9 s LYS 50 N 1.27 1.16 0.06 2.88 1.02 -1.26 -2.42 119.74 122.45 2ky9 s LYS 50 Ca 0.75 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 56.40 2ky9 s LYS 50 Cb -0.49 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2ky9 s LYS 50 CO 0.32 0.20 -0.22 -1.58 -0.92 0.00 0.00 175.35 173.15 2ky9 s TRP 51 N -0.02 2.44 -0.11 3.18 0.52 -1.25 -4.78 118.94 118.93 2ky9 s TRP 51 Ca -0.00 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.80 2ky9 s TRP 51 Cb -0.08 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2ky9 s TRP 51 CO 0.00 0.23 -0.13 0.14 0.02 0.00 0.00 176.95 177.21 2ky9 s VAL 52 N -0.91 3.05 0.37 4.03 -7.23 -1.01 -3.95 120.40 114.76 2ky9 s VAL 52 Ca 0.14 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.70 2ky9 s VAL 52 Cb -0.10 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 2ky9 s VAL 52 CO 0.05 0.54 0.46 0.27 -0.31 0.00 0.00 175.10 176.10 2ky9 s ILE 53 N 0.09 3.47 0.47 -0.62 -4.36 -1.26 -0.23 121.20 118.75 2ky9 s ILE 53 Ca -0.06 -1.11 0.28 0.00 -0.26 0.00 0.00 60.65 59.50 2ky9 s ILE 53 Cb -0.15 -3.19 0.48 0.00 1.25 0.00 0.00 42.46 40.85 2ky9 s ILE 53 CO 0.04 -0.09 1.76 -0.61 0.24 0.00 0.00 174.94 176.29 2ky9 h GLN 54 N 0.90 0.18 0.00 0.37 4.15 -1.91 -1.56 115.11 117.23 2ky9 h GLN 54 Ca -0.43 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2ky9 h GLN 54 Cb 1.26 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2ky9 h GLN 54 CO 0.52 0.12 0.00 0.39 -1.93 0.00 0.00 178.83 177.93 2ky9 n GLU 55 N -4.44 0.15 0.03 1.69 -0.58 -1.26 -3.10 120.64 113.13 2ky9 n GLU 55 Ca 0.27 0.26 0.12 0.00 -0.42 0.00 0.00 57.16 57.39 2ky9 n GLU 55 Cb 1.12 -1.72 0.19 0.00 -0.57 0.00 0.00 31.44 30.46 2ky9 n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ky9 n GLU 56 N -1.99 0.18 -3.70 3.49 4.71 -0.59 -4.94 120.64 117.80 2ky9 n GLU 56 Ca 0.04 0.04 -0.36 0.00 -0.01 0.00 0.00 57.16 56.87 2ky9 n GLU 56 Cb 0.30 -1.60 -0.07 0.00 -1.01 0.00 0.00 31.44 29.05 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 5.38 0.17 -3.67 1.09 -1.18 -1.42 121.20 118.48 2ky9 s ILE 57 Ca 0.08 0.33 -0.13 0.00 -1.10 0.00 0.00 60.65 59.82 2ky9 s ILE 57 Cb 0.15 -3.51 0.07 0.00 -1.06 0.00 0.00 42.46 38.11 2ky9 s ILE 57 CO 0.72 0.47 1.81 0.50 -0.10 0.00 0.00 174.94 178.34 2ky9 h LYS 58 N 6.19 0.76 0.00 2.79 1.63 -1.58 -3.02 116.57 123.34 2ky9 h LYS 58 Ca -0.45 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 2ky9 h LYS 58 Cb 1.18 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2ky9 h LYS 58 CO 0.71 0.55 0.00 0.22 -3.45 0.00 0.00 179.45 177.48 2ky9 h ASP 59 N 0.75 0.00 -0.41 4.20 3.58 -1.95 -3.43 116.42 119.16 2ky9 h ASP 59 Ca 0.20 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.69 2ky9 h ASP 59 Cb -0.02 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 2ky9 h ASP 59 CO -0.04 0.00 -0.24 0.00 -2.88 0.00 0.00 179.24 176.08 2ky9 n ALA 60 N -1.88 -0.26 -1.78 -0.78 0.00 -1.14 -4.79 120.51 109.89 2ky9 n ALA 60 Ca 0.05 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 2ky9 n ALA 60 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2ky9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky9 n GLY 61 N -1.10 1.07 3.47 0.00 0.00 -1.26 -1.54 105.19 105.83 2ky9 n GLY 61 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ky9 n ASP 62 N -1.02 0.00 -4.84 1.61 2.03 -1.26 -5.02 116.55 108.06 2ky9 n ASP 62 Ca -0.19 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.80 2ky9 n ASP 62 Cb 0.61 -0.83 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2ky9 s LYS 63 N -0.27 3.96 -0.27 -0.67 -2.85 -0.59 -5.03 119.74 114.02 2ky9 s LYS 63 Ca 0.00 1.00 -0.25 0.00 -1.00 0.00 0.00 55.97 55.72 2ky9 s LYS 63 Cb 0.00 -2.14 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 2ky9 s LYS 63 CO 0.00 -0.26 0.86 0.99 0.10 0.00 0.00 175.35 177.04 2ky9 s THR 64 N -2.54 4.77 -0.05 3.79 2.01 -1.26 -4.96 115.64 117.41 2ky9 s THR 64 Ca 0.60 1.51 -0.30 0.00 0.31 0.00 0.00 61.69 63.81 2ky9 s THR 64 Cb -0.10 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2ky9 s THR 64 CO 0.29 -0.18 1.31 -0.76 -0.69 0.00 0.00 174.62 174.58 2ky9 s LEU 65 N 3.00 4.28 0.19 4.42 1.43 -1.26 -5.04 118.68 125.70 2ky9 s LEU 65 Ca 0.36 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 55.47 2ky9 s LEU 65 Cb -0.15 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2ky9 s LEU 65 CO 0.10 -0.68 0.06 -1.10 0.23 0.00 0.00 176.35 174.96 2ky9 s GLN 66 N 2.52 2.59 -0.41 1.70 -0.21 -1.26 -4.64 119.66 119.96 2ky9 s GLN 66 Ca 0.60 -1.07 -0.40 0.00 0.02 0.00 0.00 55.36 54.51 2ky9 s GLN 66 Cb -0.27 -2.44 -0.15 0.00 1.00 0.00 0.00 33.01 31.14 2ky9 s GLN 66 CO 0.23 0.45 2.10 -2.30 -2.12 0.00 0.00 175.29 173.65 2ky9 n PRO 67 N -0.39 0.62 0.00 2.91 -0.02 -1.26 -1.72 135.00 135.13 2ky9 n PRO 67 Ca -0.09 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ky9 n PRO 67 Cb 0.56 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 6.56 2.01 3.72 -1.23 0.00 -0.66 -5.02 105.19 110.56 2ky9 n GLY 68 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 6.65 -0.21 1.61 1.11 -0.70 -4.80 116.67 118.43 2ky9 s ASP 69 Ca 0.00 2.57 -0.22 0.00 0.18 0.00 0.00 52.55 55.08 2ky9 s ASP 69 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 2ky9 s ASP 69 CO 0.00 -0.77 0.70 -1.10 1.18 0.00 0.00 175.17 175.18 2ky9 s GLN 70 N 0.84 4.20 0.05 8.23 -1.52 -1.26 -1.62 119.66 128.58 2ky9 s GLN 70 Ca 0.67 0.72 0.05 0.00 -1.95 0.00 0.00 55.36 54.85 2ky9 s GLN 70 Cb -0.42 -3.61 -0.02 0.00 -0.22 0.00 0.00 33.01 28.74 2ky9 s GLN 70 CO 0.33 -0.34 -0.15 0.14 -0.25 0.00 0.00 175.29 175.02 2ky9 s VAL 71 N 2.25 1.22 -0.15 1.09 -7.23 -0.29 -4.95 120.40 112.34 2ky9 s VAL 71 Ca 0.31 -1.12 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2ky9 s VAL 71 Cb -0.16 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2ky9 s VAL 71 CO 0.10 -0.02 0.11 -0.63 -0.31 0.00 0.00 175.10 174.35 2ky9 s ILE 72 N -0.95 5.26 -0.46 -0.62 -1.09 -1.26 -0.91 121.20 121.18 2ky9 s ILE 72 Ca 0.02 0.12 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 2ky9 s ILE 72 Cb -0.09 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2ky9 s ILE 72 CO 0.02 0.55 0.68 -0.76 -1.23 0.00 0.00 174.94 174.20 2ky9 s LEU 73 N -0.43 4.49 0.11 2.97 1.43 -1.20 -1.41 118.68 124.65 2ky9 s LEU 73 Ca 0.11 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2ky9 s LEU 73 Cb -0.12 -2.74 -0.15 0.00 0.03 0.00 0.00 46.19 43.22 2ky9 s LEU 73 CO 0.02 -0.85 1.32 -0.33 0.23 0.00 0.00 176.35 176.74 2ky9 h GLU 74 N 8.94 0.82 -7.16 1.70 5.08 -1.59 -1.97 114.58 120.39 2ky9 h GLU 74 Ca -0.26 -0.64 -0.45 0.00 -1.00 0.00 0.00 59.36 57.01 2ky9 h GLU 74 Cb 1.09 0.13 0.08 0.00 0.50 0.00 0.00 28.75 30.55 2ky9 h GLU 74 CO 0.93 1.25 0.13 0.00 -1.00 0.00 0.00 179.01 180.32 2ky9 s ALA 75 N -3.81 3.47 -0.15 3.43 0.00 -1.25 -4.86 121.76 118.59 2ky9 s ALA 75 Ca -0.10 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 2ky9 s ALA 75 Cb 0.09 -2.25 0.06 0.00 0.00 0.00 0.00 23.12 21.02 2ky9 s ALA 75 CO 0.90 -1.33 0.33 0.45 0.00 0.00 0.00 175.76 176.11 2ky9 s SER 76 N -4.62 -0.18 0.24 0.00 0.15 -1.26 -3.88 113.70 104.16 2ky9 s SER 76 Ca 0.63 0.74 0.23 0.00 0.70 0.00 0.00 55.95 58.26 2ky9 s SER 76 Cb -0.08 0.77 0.21 0.00 -1.71 0.00 0.00 66.02 65.22 2ky9 s SER 76 CO 0.44 -0.21 1.29 0.45 1.20 0.00 0.00 173.24 176.41 2ky9 h HIS 77 N 7.65 0.00 -2.47 3.44 3.86 -1.95 -3.47 115.15 122.21 2ky9 h HIS 77 Ca -0.28 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.85 2ky9 h HIS 77 Cb 1.14 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.41 2ky9 h HIS 77 CO 0.31 0.00 -0.04 0.00 0.86 0.00 0.00 177.93 179.07 2ky9 s MET 78 N -3.26 0.82 -0.07 2.45 0.23 -1.26 -5.12 119.30 113.09 2ky9 s MET 78 Ca 0.04 0.22 -0.37 0.00 -1.03 0.00 0.00 55.69 54.55 2ky9 s MET 78 Cb 0.10 0.38 -0.15 0.00 -1.53 0.00 0.00 34.83 33.63 2ky9 s MET 78 CO 0.73 -0.22 1.66 0.36 -2.03 0.00 0.00 175.02 175.52 2ky9 n LYS 79 N 1.49 1.58 0.00 3.16 2.85 -1.26 -1.97 118.16 124.01 2ky9 n LYS 79 Ca -0.19 0.58 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 2ky9 n LYS 79 Cb 0.56 -2.31 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 2ky9 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ky9 n GLY 80 N 3.72 1.95 0.27 2.58 0.00 -1.26 -4.83 105.19 107.63 2ky9 n GLY 80 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 3.06 0.89 -6.73 1.61 -1.53 -1.76 -0.19 114.93 110.27 2ky9 h MET 81 Ca 0.00 -0.42 -0.53 0.00 -3.44 0.00 0.00 59.70 55.32 2ky9 h MET 81 Cb 0.00 -0.01 0.05 0.00 -0.55 0.00 0.00 31.60 31.09 2ky9 h MET 81 CO 0.00 1.07 0.73 0.21 0.14 0.00 0.00 176.91 179.06 2ky9 s LYS 82 N -4.50 4.30 0.00 0.39 2.20 -1.25 -3.07 119.74 117.80 2ky9 s LYS 82 Ca -0.10 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2ky9 s LYS 82 Cb 0.12 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2ky9 s LYS 82 CO 0.86 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 2ky9 n GLY 83 N 2.22 1.08 3.77 5.54 0.00 -0.74 -4.73 105.19 112.33 2ky9 n GLY 83 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.53 3.24 -0.32 4.61 0.00 -1.18 -4.86 121.76 120.73 2ky9 s ALA 84 Ca 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 2ky9 s ALA 84 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2ky9 s ALA 84 CO 0.00 0.07 0.78 0.99 0.00 0.00 0.00 175.76 177.60 2ky9 s THR 85 N -1.47 4.79 0.22 0.00 2.01 -1.26 -3.21 115.64 116.71 2ky9 s THR 85 Ca 0.49 1.11 0.09 0.00 0.31 0.00 0.00 61.69 63.68 2ky9 s THR 85 Cb -0.23 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2ky9 s THR 85 CO 0.28 -0.27 -0.02 0.00 -0.69 0.00 0.00 174.62 173.93 2ky9 s ALA 86 N 2.95 3.14 -0.13 7.40 0.00 -0.08 -4.36 121.76 130.69 2ky9 s ALA 86 Ca 0.32 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.79 2ky9 s ALA 86 Cb -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2ky9 s ALA 86 CO 0.13 0.38 -0.22 -2.00 0.00 0.00 0.00 175.76 174.05 2ky9 s GLU 87 N -3.25 3.02 -0.39 0.00 2.12 -0.18 -1.14 118.70 118.88 2ky9 s GLU 87 Ca 0.29 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.49 2ky9 s GLU 87 Cb -0.08 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 2ky9 s GLU 87 CO 0.19 0.02 2.15 0.42 -0.54 0.00 0.00 175.26 177.50 2ky9 s ILE 88 N 0.73 3.15 0.10 -3.70 -1.09 -0.64 -1.34 121.20 118.40 2ky9 s ILE 88 Ca -0.09 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.37 2ky9 s ILE 88 Cb -0.16 -3.27 -0.21 0.00 -1.58 0.00 0.00 42.46 37.24 2ky9 s ILE 88 CO 0.00 -0.22 1.25 -0.78 -1.23 0.00 0.00 174.94 173.96 2ky9 h ASP 89 N 16.12 0.72 -5.00 3.58 3.58 -1.11 -1.76 116.42 132.55 2ky9 h ASP 89 Ca -0.32 -0.58 -0.07 0.00 0.42 0.00 0.00 57.03 56.48 2ky9 h ASP 89 Cb 1.22 -0.22 -0.18 0.00 1.72 0.00 0.00 39.33 41.87 2ky9 h ASP 89 CO 1.08 1.38 0.08 -0.55 -2.88 0.00 0.00 179.24 178.35 2ky9 s SER 90 N -7.19 -0.52 -0.08 2.28 0.15 -1.14 -4.75 113.70 102.46 2ky9 s SER 90 Ca -0.08 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.04 2ky9 s SER 90 Cb 0.08 0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2ky9 s SER 90 CO 0.89 -0.64 -0.22 0.00 1.20 0.00 0.00 173.24 174.48 2ky9 s ALA 91 N -1.73 1.95 -0.03 5.45 0.00 -1.26 -1.61 121.76 124.52 2ky9 s ALA 91 Ca -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2ky9 s ALA 91 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2ky9 s ALA 91 CO 0.04 0.30 0.08 -2.00 0.00 0.00 0.00 175.76 174.18 2ky9 s GLU 92 N 0.21 0.11 -0.70 0.00 2.56 -0.55 -5.04 118.70 115.29 2ky9 s GLU 92 Ca -0.12 0.07 -0.17 0.00 0.00 0.00 0.00 54.97 54.75 2ky9 s GLU 92 Cb -0.16 0.05 0.15 0.00 2.00 0.00 0.00 34.13 36.17 2ky9 s GLU 92 CO 0.06 -0.02 0.74 0.21 -0.56 0.00 0.00 175.26 175.69 2ky9 s LYS 93 N -0.06 3.28 0.04 4.30 2.47 -1.26 -0.98 119.74 127.53 2ky9 s LYS 93 Ca -0.01 -1.81 0.02 0.00 -1.56 0.00 0.00 55.97 52.61 2ky9 s LYS 93 Cb -0.01 -4.41 -0.02 0.00 -1.46 0.00 0.00 37.83 31.92 2ky9 s LYS 93 CO 0.00 -1.46 -0.07 -0.08 0.16 0.00 0.00 175.35 173.91 2ky9 s THR 94 N 1.70 0.44 -0.13 3.43 -1.32 -1.26 -5.00 115.64 113.51 2ky9 s THR 94 Ca 0.15 -1.03 -0.27 0.00 -1.21 0.00 0.00 61.69 59.32 2ky9 s THR 94 Cb -0.18 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 2ky9 s THR 94 CO -0.01 -0.40 0.90 -0.89 -2.21 0.00 0.00 174.62 172.01 2ky9 s THR 95 N -1.39 4.85 -0.12 5.08 2.01 -1.26 -4.30 115.64 120.51 2ky9 s THR 95 Ca -0.11 1.81 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 2ky9 s THR 95 Cb -0.10 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2ky9 s THR 95 CO 0.00 0.03 -0.09 0.68 -0.69 0.00 0.00 174.62 174.55 2ky9 s VAL 96 N 2.00 3.41 -0.08 3.82 -7.23 -0.21 -1.83 120.40 120.28 2ky9 s VAL 96 Ca 0.43 -0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2ky9 s VAL 96 Cb -0.17 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2ky9 s VAL 96 CO 0.15 0.54 -0.05 -0.31 -0.31 0.00 0.00 175.10 175.12 2ky9 s TYR 97 N 0.01 2.99 -0.25 2.82 2.02 0.10 -1.39 117.35 123.65 2ky9 s TYR 97 Ca -0.02 0.02 -0.19 0.00 -0.37 0.00 0.00 57.07 56.51 2ky9 s TYR 97 Cb -0.14 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2ky9 s TYR 97 CO 0.04 0.32 0.56 1.41 -1.57 0.00 0.00 175.55 176.31 2ky9 s MET 98 N -0.71 4.09 0.20 -0.62 -2.45 -0.62 -3.87 119.30 115.33 2ky9 s MET 98 Ca 0.11 0.42 0.04 0.00 -1.25 0.00 0.00 55.69 55.01 2ky9 s MET 98 Cb -0.11 -3.64 -0.05 0.00 1.25 0.00 0.00 34.83 32.27 2ky9 s MET 98 CO 0.02 -0.36 -0.05 0.14 1.05 0.00 0.00 175.02 175.82 2ky9 s VAL 99 N 2.34 1.16 -0.16 10.11 -7.23 -1.20 -0.52 120.40 124.90 2ky9 s VAL 99 Ca 0.23 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2ky9 s VAL 99 Cb -0.16 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.65 2ky9 s VAL 99 CO 0.09 -0.48 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.66 2ky9 s ASP 100 N -3.27 2.78 0.40 4.85 2.15 -0.42 -1.02 116.67 122.14 2ky9 s ASP 100 Ca 0.24 -0.57 0.04 0.00 0.43 0.00 0.00 52.55 52.70 2ky9 s ASP 100 Cb 0.04 -1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 41.53 2ky9 s ASP 100 CO 0.06 -0.10 0.16 -0.72 -0.17 0.00 0.00 175.17 174.40 2ky9 s TYR 101 N 1.52 1.77 -0.26 -5.34 1.13 -0.43 -0.65 117.35 115.08 2ky9 s TYR 101 Ca 0.03 -1.36 -0.02 0.00 -1.41 0.00 0.00 57.07 54.31 2ky9 s TYR 101 Cb -0.14 -1.07 0.03 0.00 -1.10 0.00 0.00 41.96 39.68 2ky9 s TYR 101 CO -0.09 -0.41 -0.04 0.99 -2.51 0.00 0.00 175.55 173.48 2ky9 s THR 102 N -3.25 2.95 -0.49 -3.49 2.01 -1.26 -0.90 115.64 111.21 2ky9 s THR 102 Ca 0.26 -1.07 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 2ky9 s THR 102 Cb 0.02 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.90 2ky9 s THR 102 CO 0.17 0.14 2.39 -0.24 -0.69 0.00 0.00 174.62 176.39 2ky9 n SER 103 N 4.67 2.16 0.24 3.53 2.88 0.59 -4.74 113.62 122.95 2ky9 n SER 103 Ca -0.16 -0.13 0.17 0.00 -1.33 0.00 0.00 58.87 57.42 2ky9 n SER 103 Cb 0.46 -1.43 0.78 0.00 -0.75 0.00 0.00 64.21 63.27 2ky9 n SER 103 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2ky9 h THR 104 N 7.55 0.00 0.00 2.46 1.35 -1.51 0.10 112.91 122.86 2ky9 h THR 104 Ca -0.25 -0.22 -0.13 0.00 -0.55 0.00 0.00 66.41 65.26 2ky9 h THR 104 Cb 1.28 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2ky9 h THR 104 CO 1.13 0.00 -1.55 0.35 -0.25 0.00 0.00 175.52 175.21 2ky9 n THR 105 N -2.76 0.91 -0.01 6.82 -2.24 -1.26 -4.61 114.28 111.13 2ky9 n THR 105 Ca -0.00 -0.65 0.02 0.00 -2.27 0.00 0.00 64.05 61.14 2ky9 n THR 105 Cb 0.18 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 2ky9 n THR 105 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ky9 n SER 106 N -2.73 3.07 0.00 3.42 7.64 -0.94 -5.01 113.62 119.07 2ky9 n SER 106 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2ky9 n SER 106 Cb 0.78 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 65.19 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 2.15 2.67 3.71 0.23 0.00 0.31 -5.03 105.19 109.22 2ky9 n GLY 107 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.16 4.39 -0.43 1.61 2.56 -1.25 -4.78 118.70 120.65 2ky9 s GLU 108 Ca 0.00 1.85 -0.26 0.00 0.00 0.00 0.00 54.97 56.56 2ky9 s GLU 108 Cb 0.00 -3.36 0.02 0.00 2.00 0.00 0.00 34.13 32.80 2ky9 s GLU 108 CO 0.00 -0.34 0.94 0.15 -0.56 0.00 0.00 175.26 175.45 2ky9 s LYS 109 N 1.26 3.66 -0.30 4.30 1.02 -1.26 -0.30 119.74 128.11 2ky9 s LYS 109 Ca 0.60 0.34 -0.11 0.00 0.02 0.00 0.00 55.97 56.82 2ky9 s LYS 109 Cb -0.31 -3.88 -0.03 0.00 -0.52 0.00 0.00 37.83 33.09 2ky9 s LYS 109 CO 0.29 -1.13 0.19 0.08 -0.92 0.00 0.00 175.35 173.86 2ky9 s VAL 110 N 3.69 5.13 0.09 3.17 1.01 -0.08 -4.97 120.40 128.44 2ky9 s VAL 110 Ca 0.38 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2ky9 s VAL 110 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ky9 s VAL 110 CO 0.24 0.15 -0.12 -1.59 0.00 0.00 0.00 175.10 173.78 2ky9 s LYS 111 N 1.72 2.10 -1.45 2.72 0.00 -1.26 -1.32 119.74 122.24 2ky9 s LYS 111 Ca 0.06 -1.02 -0.08 0.00 0.00 0.00 0.00 55.97 54.93 2ky9 s LYS 111 Cb -0.16 -2.28 0.04 0.00 0.00 0.00 0.00 37.83 35.43 2ky9 s LYS 111 CO 0.10 0.51 0.72 0.09 0.00 0.00 0.00 175.35 176.77 2ky9 n ASN 112 N 0.89 -5.26 -4.75 0.03 3.02 -0.49 -4.94 115.26 103.76 2ky9 n ASN 112 Ca -0.14 -0.44 -0.41 0.00 -0.03 0.00 0.00 54.58 53.56 2ky9 n ASN 112 Cb 0.52 -4.24 -0.02 0.00 -0.61 0.00 0.00 39.78 35.43 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2ky9 s HIS 113 N -3.15 2.84 -0.01 3.10 5.65 -0.19 -4.71 115.29 118.82 2ky9 s HIS 113 Ca 0.43 0.85 -0.00 0.00 0.25 0.00 0.00 55.06 56.59 2ky9 s HIS 113 Cb -0.21 -3.99 0.01 0.00 -1.18 0.00 0.00 32.58 27.21 2ky9 s HIS 113 CO 0.53 -3.31 0.01 0.15 -0.65 0.00 0.00 174.74 171.47 2ky9 s LYS 114 N -0.40 -0.01 -0.00 2.88 1.02 -1.26 -3.24 119.74 118.72 2ky9 s LYS 114 Ca 0.62 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.74 2ky9 s LYS 114 Cb -0.46 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 2ky9 s LYS 114 CO 0.46 -0.07 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.10 2ky9 s TRP 115 N 0.43 2.67 0.07 3.18 0.52 -1.25 -4.90 118.94 119.66 2ky9 s TRP 115 Ca -0.04 -0.18 0.09 0.00 0.02 0.00 0.00 56.10 55.99 2ky9 s TRP 115 Cb -0.05 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 2ky9 s TRP 115 CO -0.01 0.25 -0.24 0.14 0.02 0.00 0.00 176.95 177.11 2ky9 s VAL 116 N -0.86 1.92 0.48 4.03 -7.23 -1.25 -3.76 120.40 113.73 2ky9 s VAL 116 Ca 0.14 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 2ky9 s VAL 116 Cb -0.11 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2ky9 s VAL 116 CO 0.04 0.19 0.54 0.42 -0.31 0.00 0.00 175.10 175.98 2ky9 s THR 117 N -0.91 2.48 0.52 5.32 -4.23 -1.26 -0.72 115.64 116.84 2ky9 s THR 117 Ca 0.10 -1.18 0.19 0.00 -1.18 0.00 0.00 61.69 59.62 2ky9 s THR 117 Cb -0.10 -2.65 0.31 0.00 1.34 0.00 0.00 72.50 71.40 2ky9 s THR 117 CO 0.03 0.00 2.10 -0.08 -0.54 0.00 0.00 174.62 176.13 2ky9 h GLU 118 N 0.66 0.00 -0.30 3.99 4.57 -1.69 -1.95 114.58 119.85 2ky9 h GLU 118 Ca -0.37 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.72 2ky9 h GLU 118 Cb 1.28 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 2ky9 h GLU 118 CO 0.49 0.00 -0.18 0.22 -1.18 0.00 0.00 179.01 178.37 2ky9 h ASP 119 N 0.00 0.54 0.11 1.04 3.58 -1.95 -3.10 116.42 116.64 2ky9 h ASP 119 Ca 0.08 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2ky9 h ASP 119 Cb 0.34 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2ky9 h ASP 119 CO -0.00 0.74 -0.20 -0.62 -2.88 0.00 0.00 179.24 176.27 2ky9 n GLU 120 N -4.16 1.25 -4.90 0.28 1.02 -0.78 -4.89 120.64 108.47 2ky9 n GLU 120 Ca 0.00 -0.83 -0.31 0.00 -0.02 0.00 0.00 57.16 56.01 2ky9 n GLU 120 Cb 0.37 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.32 2.29 0.11 -4.62 1.43 -0.95 -1.88 118.68 112.74 2ky9 s LEU 121 Ca 0.27 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2ky9 s LEU 121 Cb 0.20 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2ky9 s LEU 121 CO 0.46 0.27 -0.24 -0.44 0.23 0.00 0.00 176.35 176.63 2ky9 s SER 122 N -1.18 2.95 1.07 2.29 0.01 -0.19 -4.85 113.70 113.80 2ky9 s SER 122 Ca 0.12 -0.71 -0.13 0.00 1.31 0.00 0.00 55.95 56.54 2ky9 s SER 122 Cb -0.10 -0.19 0.23 0.00 0.21 0.00 0.00 66.02 66.17 2ky9 s SER 122 CO 0.02 0.13 1.08 0.00 0.41 0.00 0.00 173.24 174.88 2ky9 s ALA 123 N -1.08 0.54 -0.93 1.44 0.00 -1.26 -0.28 121.76 120.19 2ky9 s ALA 123 Ca 0.10 -0.41 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 2ky9 s ALA 123 Cb -0.10 -3.11 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 2ky9 s ALA 123 CO 0.05 -3.20 2.25 0.21 0.00 0.00 0.00 175.76 175.08 2ky9 s LYS 124 N -4.91 1.50 0.22 0.00 2.47 -1.19 -3.75 119.74 114.08 2ky9 s LYS 124 Ca 0.67 0.02 0.03 0.00 -1.56 0.00 0.00 55.97 55.13 2ky9 s LYS 124 Cb -0.19 -4.89 -0.01 0.00 -1.46 0.00 0.00 37.83 31.28 2ky9 s LYS 124 CO 0.59 -4.82 0.11 1.28 0.16 0.00 0.00 175.35 172.67 2ky9 n LEU 125 N 18.75 0.00 -4.77 5.43 4.77 -1.26 -5.04 117.00 134.88 2ky9 n LEU 125 Ca 0.44 -1.77 -0.40 0.00 -0.03 0.00 0.00 56.01 54.25 2ky9 n LEU 125 Cb 0.45 0.70 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 2ky9 n LEU 125 CO 0.57 -0.28 1.02 -1.83 -1.33 0.00 0.00 177.39 175.54 2ky9 s GLU 126 N -2.84 3.89 -0.44 3.23 -1.05 -1.26 -5.00 118.70 115.23 2ky9 s GLU 126 Ca 0.15 2.30 0.07 0.00 -0.15 0.00 0.00 54.97 57.34 2ky9 s GLU 126 Cb 0.01 -2.75 0.32 0.00 -0.44 0.00 0.00 34.13 31.27 2ky9 s GLU 126 CO 0.11 -0.61 0.99 -2.39 0.95 0.00 0.00 175.26 174.31 2ky9 n HIS 127 N 0.06 -2.16 -0.19 4.83 1.44 -1.26 -5.00 115.22 112.94 2ky9 n HIS 127 Ca 0.04 -2.52 -0.09 0.00 -2.01 0.00 0.00 57.72 53.14 2ky9 n HIS 127 Cb 0.42 1.11 0.01 0.00 0.12 0.00 0.00 29.99 31.66 2ky9 n HIS 127 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2ky9 h HIS 128 N 3.12 0.96 -0.61 -1.40 2.07 -2.04 -3.44 115.15 113.81 2ky9 h HIS 128 Ca -0.05 -0.14 0.15 0.00 -2.85 0.00 0.00 60.37 57.48 2ky9 h HIS 128 Cb 1.06 -0.26 -0.20 0.00 2.57 0.00 0.00 27.41 30.57 2ky9 h HIS 128 CO 0.33 0.86 -0.11 -1.58 -3.07 0.00 0.00 177.93 174.36 2ky9 s HIS 129 N -5.15 -1.05 0.03 6.12 5.65 -1.26 -5.18 115.29 114.43 2ky9 s HIS 129 Ca -0.12 0.86 -0.03 0.00 0.25 0.00 0.00 55.06 56.02 2ky9 s HIS 129 Cb 0.12 0.27 -0.02 0.00 -1.18 0.00 0.00 32.58 31.78 2ky9 s HIS 129 CO 0.82 -0.60 0.03 -1.01 -0.65 0.00 0.00 174.74 173.33 2ky9 s HIS 130 N 2.91 0.25 0.33 3.88 3.76 -1.26 -5.18 115.29 119.98 2ky9 s HIS 130 Ca 0.13 -0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 2ky9 s HIS 130 Cb -0.09 -0.19 0.02 0.00 1.11 0.00 0.00 32.58 33.43 2ky9 s HIS 130 CO -0.20 -0.28 0.51 -2.39 -0.85 0.00 0.00 174.74 171.54 2ky9 n HIS 131 N 1.13 -1.58 -1.93 1.40 1.44 -1.26 -4.84 115.22 109.59 2ky9 n HIS 131 Ca -0.21 -2.07 0.00 0.00 -2.01 0.00 0.00 57.72 53.43 2ky9 n HIS 131 Cb 0.57 0.59 0.00 0.00 0.12 0.00 0.00 29.99 31.27 2ky9 n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11