#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 n LYS 2 N 0.00 0.00 -3.67 2.12 5.02 -0.96 -4.76 118.16 115.91 2ka7 n LYS 2 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2ka7 n LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2ka7 n LYS 2 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ka7 s MET 3 N -1.17 0.98 -0.15 1.97 1.75 -1.01 -4.98 119.30 116.70 2ka7 s MET 3 Ca 0.00 -0.60 -0.03 0.00 -1.25 0.00 0.00 55.69 53.82 2ka7 s MET 3 Cb 0.00 0.43 0.05 0.00 2.84 0.00 0.00 34.83 38.15 2ka7 s MET 3 CO 0.00 -0.36 0.03 0.21 -0.65 0.00 0.00 175.02 174.26 2ka7 s LYS 4 N -3.26 0.54 0.48 4.11 2.36 -1.26 -0.46 119.74 122.25 2ka7 s LYS 4 Ca -0.00 -0.18 0.07 0.00 -2.55 0.00 0.00 55.97 53.30 2ka7 s LYS 4 Cb 0.01 -1.66 0.01 0.00 -1.05 0.00 0.00 37.83 35.14 2ka7 s LYS 4 CO -0.08 -0.53 0.38 0.15 1.55 0.00 0.00 175.35 176.82 2ka7 s LYS 5 N 1.94 2.35 0.46 4.03 3.01 -1.01 -4.84 119.74 125.68 2ka7 s LYS 5 Ca 0.02 -1.81 0.03 0.00 -1.01 0.00 0.00 55.97 53.19 2ka7 s LYS 5 Cb -0.15 -2.20 -0.01 0.00 -1.01 0.00 0.00 37.83 34.46 2ka7 s LYS 5 CO -0.07 -0.41 0.08 0.71 0.51 0.00 0.00 175.35 176.17 2ka7 s TYR 6 N -2.64 1.80 0.16 3.18 1.51 -0.06 -0.80 117.35 120.50 2ka7 s TYR 6 Ca 0.41 -1.18 -0.01 0.00 -1.01 0.00 0.00 57.07 55.28 2ka7 s TYR 6 Cb -0.02 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2ka7 s TYR 6 CO 0.24 -0.10 0.08 0.95 -1.11 0.00 0.00 175.55 175.61 2ka7 s THR 7 N -3.06 0.11 -1.21 -0.71 -4.23 -0.67 -1.29 115.64 104.58 2ka7 s THR 7 Ca 0.15 -1.95 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 2ka7 s THR 7 Cb 0.01 -2.23 0.32 0.00 1.34 0.00 0.00 72.50 71.95 2ka7 s THR 7 CO 0.09 -0.29 1.81 0.29 -0.54 0.00 0.00 174.62 175.99 2ka7 n LYS 8 N -0.18 0.18 -0.62 3.99 5.02 -1.26 -3.63 118.16 121.66 2ka7 n LYS 8 Ca -0.03 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 2ka7 n LYS 8 Cb 0.65 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.44 2ka7 n LYS 8 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ka7 n THR 9 N -1.39 1.89 -3.61 -0.18 -2.24 -1.26 -4.91 114.28 102.58 2ka7 n THR 9 Ca 0.09 -0.99 -0.23 0.00 -2.27 0.00 0.00 64.05 60.65 2ka7 n THR 9 Cb 0.24 -0.28 0.07 0.00 -2.10 0.00 0.00 70.33 68.26 2ka7 n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ka7 n HIS 10 N 0.51 -2.50 -4.32 4.78 -0.00 -1.24 -4.81 115.22 107.64 2ka7 n HIS 10 Ca 0.20 0.96 -0.25 0.00 -0.00 0.00 0.00 57.72 58.63 2ka7 n HIS 10 Cb 0.90 -4.83 -0.13 0.00 -0.00 0.00 0.00 29.99 25.93 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2ka7 s GLU 11 N -6.06 1.18 0.32 -0.41 2.02 -1.26 -0.43 118.70 114.07 2ka7 s GLU 11 Ca 0.37 -1.19 0.08 0.00 0.02 0.00 0.00 54.97 54.25 2ka7 s GLU 11 Cb -0.17 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2ka7 s GLU 11 CO 0.75 0.35 0.12 1.67 0.02 0.00 0.00 175.26 178.17 2ka7 s TRP 12 N -1.13 2.73 -0.28 1.61 1.48 -0.46 -1.66 118.94 121.22 2ka7 s TRP 12 Ca 0.08 -0.33 -0.02 0.00 -1.06 0.00 0.00 56.10 54.76 2ka7 s TRP 12 Cb -0.10 -1.54 0.11 0.00 -1.16 0.00 0.00 33.47 30.79 2ka7 s TRP 12 CO 0.04 0.41 0.21 0.08 -4.06 0.00 0.00 176.95 173.63 2ka7 s VAL 13 N -2.39 -0.24 -0.82 -0.66 1.01 0.02 -3.12 120.40 114.20 2ka7 s VAL 13 Ca 0.36 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2ka7 s VAL 13 Cb -0.04 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.46 2ka7 s VAL 13 CO 0.22 -0.57 1.17 -0.44 0.00 0.00 0.00 175.10 175.48 2ka7 s SER 14 N 2.23 6.36 0.31 3.32 0.01 -0.22 -2.40 113.70 123.31 2ka7 s SER 14 Ca 0.09 -1.27 -0.28 0.00 1.31 0.00 0.00 55.95 55.80 2ka7 s SER 14 Cb -0.15 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2ka7 s SER 14 CO -0.33 -1.43 1.09 -0.63 0.41 0.00 0.00 173.24 172.35 2ka7 s ILE 15 N 4.20 3.53 0.00 1.44 1.09 0.39 -1.04 121.20 130.81 2ka7 s ILE 15 Ca 0.32 1.44 0.00 0.00 -1.10 0.00 0.00 60.65 61.31 2ka7 s ILE 15 Cb -0.08 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 2ka7 s ILE 15 CO 0.01 0.27 0.00 1.21 -0.10 0.00 0.00 174.94 176.33 2ka7 n GLU 16 N 0.84 0.00 0.00 2.79 2.13 -0.20 -2.39 120.64 123.81 2ka7 n GLU 16 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2ka7 n GLU 16 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 2ka7 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ka7 n ASP 17 N 0.00 0.00 -0.14 4.31 9.92 -1.26 -2.28 116.55 127.10 2ka7 n ASP 17 Ca 0.00 0.03 0.05 0.00 -0.53 0.00 0.00 54.79 54.34 2ka7 n ASP 17 Cb 0.00 -0.12 0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ka7 n LYS 18 N -1.49 1.24 -4.28 -1.24 4.76 -1.26 -4.88 118.16 111.02 2ka7 n LYS 18 Ca 0.00 -1.77 -0.19 0.00 -2.87 0.00 0.00 58.31 53.47 2ka7 n LYS 18 Cb 0.00 -1.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ka7 s VAL 19 N -1.53 1.51 -0.03 -0.18 1.01 -1.26 -1.33 120.40 118.59 2ka7 s VAL 19 Ca 0.15 -1.83 0.04 0.00 0.00 0.00 0.00 61.98 60.33 2ka7 s VAL 19 Cb 0.13 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2ka7 s VAL 19 CO 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 175.10 174.58 2ka7 s ALA 20 N -2.21 1.16 0.14 5.51 0.00 -0.02 -1.03 121.76 125.31 2ka7 s ALA 20 Ca 0.12 -0.51 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 2ka7 s ALA 20 Cb -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.62 2ka7 s ALA 20 CO 0.04 0.22 0.80 0.99 0.00 0.00 0.00 175.76 177.81 2ka7 s THR 21 N 0.02 4.43 -0.10 0.00 2.01 -0.21 -1.30 115.64 120.49 2ka7 s THR 21 Ca -0.01 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.74 2ka7 s THR 21 Cb -0.09 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2ka7 s THR 21 CO 0.01 0.48 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.61 2ka7 s VAL 22 N -0.85 3.27 0.16 3.82 1.01 -0.23 -1.06 120.40 126.51 2ka7 s VAL 22 Ca 0.37 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2ka7 s VAL 22 Cb -0.23 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2ka7 s VAL 22 CO 0.26 0.55 0.28 -0.83 0.00 0.00 0.00 175.10 175.37 2ka7 s GLY 23 N -0.16 0.42 0.59 4.51 0.00 -1.18 -1.04 107.32 110.45 2ka7 s GLY 23 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 44.72 43.73 2ka7 s GLY 23 CO 0.03 -0.81 1.06 -0.26 0.00 0.00 0.00 173.10 173.12 2ka7 s ILE 24 N -3.95 3.74 0.82 0.90 -4.36 -1.26 -1.36 121.20 115.73 2ka7 s ILE 24 Ca 0.16 0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 61.28 2ka7 s ILE 24 Cb 0.03 -3.36 0.09 0.00 1.25 0.00 0.00 42.46 40.47 2ka7 s ILE 24 CO -0.01 -0.46 1.11 0.42 0.24 0.00 0.00 174.94 176.24 2ka7 s THR 25 N -2.39 2.76 0.42 8.37 -4.23 0.43 -4.62 115.64 116.39 2ka7 s THR 25 Ca 0.64 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 61.55 2ka7 s THR 25 Cb -0.17 -3.02 0.35 0.00 1.34 0.00 0.00 72.50 71.00 2ka7 s THR 25 CO 0.36 -0.32 1.93 -0.55 -0.54 0.00 0.00 174.62 175.49 2ka7 h ASN 26 N -1.17 0.42 -0.01 3.99 -1.07 -1.91 -2.53 115.58 113.29 2ka7 h ASN 26 Ca -0.48 0.02 0.00 0.00 0.07 0.00 0.00 56.30 55.92 2ka7 h ASN 26 Cb 1.29 -0.06 -0.00 0.00 -2.07 0.00 0.00 38.32 37.47 2ka7 h ASN 26 CO 0.60 0.22 0.01 -0.74 0.07 0.00 0.00 177.43 177.59 2ka7 h HIS 27 N 0.45 0.00 0.27 4.14 2.76 -1.93 -2.13 115.15 118.71 2ka7 h HIS 27 Ca 0.36 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 2ka7 h HIS 27 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2ka7 h HIS 27 CO -0.00 0.00 -0.13 0.00 -1.30 0.00 0.00 177.93 176.50 2ka7 h ALA 28 N 1.99 -0.36 -0.27 5.26 0.00 -1.77 -3.33 119.26 120.79 2ka7 h ALA 28 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2ka7 h ALA 28 Cb 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ka7 h ALA 28 CO -0.00 -0.39 0.23 -0.56 0.00 0.00 0.00 179.25 178.53 2ka7 h GLN 29 N -1.00 0.00 -0.62 0.00 -0.00 -1.51 0.47 115.11 112.45 2ka7 h GLN 29 Ca -0.04 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.75 2ka7 h GLN 29 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.90 2ka7 h GLN 29 CO 0.06 0.00 0.42 0.93 -0.00 0.00 0.00 178.83 180.24 2ka7 h GLU 30 N 0.00 0.23 0.05 0.06 5.08 -1.50 -0.85 114.58 117.64 2ka7 h GLU 30 Ca 0.13 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.21 2ka7 h GLU 30 Cb 0.59 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2ka7 h GLU 30 CO -0.00 0.15 -1.42 1.96 -1.00 0.00 0.00 179.01 178.70 2ka7 h GLN 31 N 0.23 0.11 -0.41 2.33 1.08 -1.05 -3.39 115.11 114.00 2ka7 h GLN 31 Ca 0.29 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2ka7 h GLN 31 Cb 0.84 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 2ka7 h GLN 31 CO -0.06 1.09 0.12 -0.07 -0.95 0.00 0.00 178.83 178.95 2ka7 h LEU 32 N -0.62 0.55 0.00 1.46 4.07 -1.19 -3.48 115.31 116.10 2ka7 h LEU 32 Ca -0.35 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2ka7 h LEU 32 Cb 1.55 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.15 2ka7 h LEU 32 CO -0.09 0.54 0.00 0.61 -1.08 0.00 0.00 178.44 178.43 2ka7 n GLY 33 N -1.06 3.75 1.24 0.83 0.00 -0.37 -4.49 105.19 105.10 2ka7 n GLY 33 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka7 n ASP 34 N 6.43 4.00 0.00 1.61 9.92 -1.26 -4.87 116.55 132.38 2ka7 n ASP 34 Ca 0.00 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.04 2ka7 n ASP 34 Cb 0.00 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2ka7 n VAL 35 N 0.84 0.00 0.00 2.53 3.14 -1.26 -4.57 118.33 119.01 2ka7 n VAL 35 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2ka7 n VAL 35 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2ka7 n VAL 35 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ka7 n VAL 36 N 0.00 0.00 -3.70 1.55 3.14 -1.26 -2.65 118.33 115.41 2ka7 n VAL 36 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2ka7 n VAL 36 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2ka7 s TYR 37 N 0.00 -0.28 -0.25 1.45 5.04 -1.20 -4.80 117.35 117.30 2ka7 s TYR 37 Ca 0.00 -0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 54.38 2ka7 s TYR 37 Cb 0.00 0.65 0.07 0.00 0.35 0.00 0.00 41.96 43.03 2ka7 s TYR 37 CO 0.00 -1.01 0.64 0.54 -1.34 0.00 0.00 175.55 174.38 2ka7 s VAL 38 N -3.70 -0.00 0.20 3.14 0.11 -1.26 -3.97 120.40 114.92 2ka7 s VAL 38 Ca 0.08 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.94 2ka7 s VAL 38 Cb -0.03 -0.91 -0.08 0.00 -1.53 0.00 0.00 36.38 33.82 2ka7 s VAL 38 CO -0.00 0.00 0.72 -0.62 -3.33 0.00 0.00 175.10 171.88 2ka7 s ASP 39 N 1.05 7.13 0.04 3.54 2.15 0.05 -4.92 116.67 125.70 2ka7 s ASP 39 Ca -0.06 1.46 0.01 0.00 0.43 0.00 0.00 52.55 54.39 2ka7 s ASP 39 Cb -0.05 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2ka7 s ASP 39 CO -0.10 0.09 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.18 2ka7 s LEU 40 N -1.73 2.29 1.07 -1.34 1.43 -1.26 -3.66 118.68 115.48 2ka7 s LEU 40 Ca 0.40 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2ka7 s LEU 40 Cb -0.18 -0.01 0.22 0.00 0.03 0.00 0.00 46.19 46.25 2ka7 s LEU 40 CO 0.22 -0.30 1.14 -2.16 0.23 0.00 0.00 176.35 175.48 2ka7 s PRO 41 N -1.87 -0.14 0.46 1.29 0.04 -0.90 -4.92 135.00 128.96 2ka7 s PRO 41 Ca -0.10 0.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.84 2ka7 s PRO 41 Cb -0.07 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2ka7 s PRO 41 CO -0.01 -3.02 0.98 -2.00 0.04 0.00 0.00 177.00 172.98 2ka7 s GLU 42 N -5.33 4.05 0.00 4.56 2.12 -1.26 -4.94 118.70 117.89 2ka7 s GLU 42 Ca 0.69 1.15 0.00 0.00 0.36 0.00 0.00 54.97 57.17 2ka7 s GLU 42 Cb -0.12 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.12 2ka7 s GLU 42 CO 0.55 -0.19 0.38 1.55 -0.54 0.00 0.00 175.26 177.01 2ka7 n VAL 43 N -0.92 0.00 -1.70 3.70 3.14 -1.26 -1.59 118.33 119.69 2ka7 n VAL 43 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2ka7 n VAL 43 Cb 0.54 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 2ka7 n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ka7 n GLY 44 N 0.17 0.24 3.69 7.55 0.00 -1.17 -3.74 105.19 111.94 2ka7 n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ka7 n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka7 s ARG 45 N 0.00 4.24 0.34 1.61 3.52 -0.62 -4.72 118.95 123.31 2ka7 s ARG 45 Ca 0.00 2.18 -0.26 0.00 -0.13 0.00 0.00 55.73 57.52 2ka7 s ARG 45 Cb 0.00 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 2ka7 s ARG 45 CO 0.00 -0.65 1.03 -1.21 -0.81 0.00 0.00 175.30 173.66 2ka7 s GLU 46 N 2.36 4.44 0.24 5.12 0.41 -1.26 -0.39 118.70 129.62 2ka7 s GLU 46 Ca 0.69 1.53 0.02 0.00 -0.41 0.00 0.00 54.97 56.81 2ka7 s GLU 46 Cb -0.37 -2.82 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 2ka7 s GLU 46 CO 0.30 0.11 0.27 1.33 -0.49 0.00 0.00 175.26 176.77 2ka7 n VAL 47 N 0.52 0.00 -4.20 2.63 0.24 -0.62 -4.92 118.33 111.98 2ka7 n VAL 47 Ca 0.02 -1.47 -0.12 0.00 -2.04 0.00 0.00 64.34 60.74 2ka7 n VAL 47 Cb 0.48 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.56 2ka7 n VAL 47 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ka7 s LYS 48 N -2.75 1.11 0.00 7.34 1.02 -1.26 -3.61 119.74 121.59 2ka7 s LYS 48 Ca 0.24 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2ka7 s LYS 48 Cb 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2ka7 s LYS 48 CO 0.17 -0.31 0.24 0.36 -0.92 0.00 0.00 175.35 174.89 2ka7 n LYS 49 N -0.22 0.39 -2.73 1.68 2.85 -1.20 -2.40 118.16 116.53 2ka7 n LYS 49 Ca -0.02 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.17 2ka7 n LYS 49 Cb 0.65 -1.15 0.07 0.00 -0.65 0.00 0.00 35.03 33.94 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ka7 n GLY 50 N 0.22 -0.10 3.26 2.58 0.00 -0.69 -4.41 105.19 106.05 2ka7 n GLY 50 Ca 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2ka7 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ka7 s GLU 51 N 0.47 3.24 0.00 1.61 2.02 -1.01 -4.74 118.70 120.29 2ka7 s GLU 51 Ca 0.28 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2ka7 s GLU 51 Cb 0.25 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.75 2ka7 s GLU 51 CO -0.17 -0.07 0.15 1.55 0.02 0.00 0.00 175.26 176.74 2ka7 n VAL 52 N 4.34 0.03 0.28 2.63 3.14 -1.24 -0.32 118.33 127.20 2ka7 n VAL 52 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2ka7 n VAL 52 Cb 0.51 -0.20 0.02 0.00 -1.06 0.00 0.00 33.84 33.11 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ka7 n VAL 53 N 0.42 0.00 -2.73 1.55 0.24 -1.21 -3.02 118.33 113.59 2ka7 n VAL 53 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2ka7 n VAL 53 Cb 0.08 -0.50 0.06 0.00 -1.47 0.00 0.00 33.84 32.00 2ka7 n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ka7 n ALA 54 N -0.57 2.34 -1.74 2.33 0.00 -1.25 -2.12 120.51 119.49 2ka7 n ALA 54 Ca 0.00 -2.46 -0.38 0.00 0.00 0.00 0.00 53.44 50.61 2ka7 n ALA 54 Cb 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.54 2ka7 n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ka7 s SER 55 N -2.32 4.89 -0.04 0.00 0.01 -1.17 -4.01 113.70 111.06 2ka7 s SER 55 Ca 0.26 2.71 -0.00 0.00 1.31 0.00 0.00 55.95 60.23 2ka7 s SER 55 Cb 0.42 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2ka7 s SER 55 CO -0.02 -1.82 0.00 -0.63 0.41 0.00 0.00 173.24 171.18 2ka7 s ILE 56 N -1.34 4.25 0.01 1.44 1.01 -0.20 -0.77 121.20 125.60 2ka7 s ILE 56 Ca 0.78 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.08 2ka7 s ILE 56 Cb -0.39 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2ka7 s ILE 56 CO 0.44 0.48 -0.24 -1.61 0.00 0.00 0.00 174.94 174.01 2ka7 s GLU 57 N -1.25 2.03 0.22 2.79 2.02 -1.25 -1.41 118.70 121.83 2ka7 s GLU 57 Ca 0.17 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.19 2ka7 s GLU 57 Cb -0.11 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.06 2ka7 s GLU 57 CO 0.07 0.55 0.14 -1.13 0.02 0.00 0.00 175.26 174.90 2ka7 n SER 58 N 2.06 1.83 -0.42 -0.19 3.41 -0.32 -3.28 113.62 116.72 2ka7 n SER 58 Ca -0.16 -1.77 0.36 0.00 -0.26 0.00 0.00 58.87 57.04 2ka7 n SER 58 Cb 0.52 0.01 0.64 0.00 -0.26 0.00 0.00 64.21 65.11 2ka7 n SER 58 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2ka7 h VAL 59 N 0.65 0.04 0.00 -3.33 -1.51 -1.77 -3.20 116.25 107.14 2ka7 h VAL 59 Ca -0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2ka7 h VAL 59 Cb 0.51 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 2ka7 h VAL 59 CO 0.23 0.01 0.00 0.29 -1.23 0.00 0.00 177.57 176.86 2ka7 n LYS 60 N -4.90 0.00 -2.23 5.19 4.01 -1.26 -5.12 118.16 113.85 2ka7 n LYS 60 Ca 0.39 -0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.92 2ka7 n LYS 60 Cb 1.43 -0.40 0.10 0.00 -0.51 0.00 0.00 35.03 35.66 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka7 s ALA 61 N 0.00 3.08 0.09 7.82 0.00 -1.21 -5.13 121.76 126.41 2ka7 s ALA 61 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 2ka7 s ALA 61 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2ka7 s ALA 61 CO 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 175.76 174.22 2ka7 s ALA 62 N -3.36 0.64 -0.30 0.00 0.00 -1.26 -1.17 121.76 116.31 2ka7 s ALA 62 Ca 0.64 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2ka7 s ALA 62 Cb -0.08 0.56 0.18 0.00 0.00 0.00 0.00 23.12 23.78 2ka7 s ALA 62 CO 0.46 -0.43 0.61 0.00 0.00 0.00 0.00 175.76 176.40 2ka7 s ALA 63 N -3.98 -2.22 0.14 0.00 0.00 -0.50 -4.95 121.76 110.25 2ka7 s ALA 63 Ca 0.15 1.96 -0.31 0.00 0.00 0.00 0.00 51.96 53.76 2ka7 s ALA 63 Cb 0.08 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 2ka7 s ALA 63 CO -0.04 -1.24 1.64 -0.51 0.00 0.00 0.00 175.76 175.61 2ka7 s ASP 64 N 2.87 6.55 -0.40 0.00 1.11 -1.26 -1.04 116.67 124.50 2ka7 s ASP 64 Ca 0.15 2.62 -0.13 0.00 0.18 0.00 0.00 52.55 55.37 2ka7 s ASP 64 Cb -0.14 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.30 2ka7 s ASP 64 CO -0.21 -0.88 0.26 -0.69 1.18 0.00 0.00 175.17 174.84 2ka7 s VAL 65 N 1.79 4.87 -0.57 -1.27 1.01 -1.26 -4.94 120.40 120.04 2ka7 s VAL 65 Ca 0.73 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 2ka7 s VAL 65 Cb -0.43 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.32 2ka7 s VAL 65 CO 0.32 -0.31 0.58 -0.31 0.00 0.00 0.00 175.10 175.38 2ka7 s TYR 66 N 1.60 3.19 -0.20 5.22 2.02 -1.26 -3.33 117.35 124.60 2ka7 s TYR 66 Ca 0.03 -1.22 -0.34 0.00 -0.37 0.00 0.00 57.07 55.17 2ka7 s TYR 66 Cb -0.20 -3.87 -0.16 0.00 -0.40 0.00 0.00 41.96 37.33 2ka7 s TYR 66 CO 0.08 -1.11 1.05 0.00 -1.57 0.00 0.00 175.55 174.00 2ka7 n ALA 67 N 5.53 -1.99 0.17 3.71 0.00 0.56 -4.30 120.51 124.20 2ka7 n ALA 67 Ca -0.11 0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.81 2ka7 n ALA 67 Cb 0.41 -1.44 0.20 0.00 0.00 0.00 0.00 19.45 18.62 2ka7 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ka7 h PRO 68 N 3.16 0.00 -4.89 0.00 0.13 -1.83 -1.85 132.00 126.73 2ka7 h PRO 68 Ca -0.37 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.47 2ka7 h PRO 68 Cb 1.10 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.07 2ka7 h PRO 68 CO 0.64 0.38 -0.71 -0.51 -0.23 0.00 0.00 178.00 177.57 2ka7 s LEU 69 N -6.62 2.49 0.56 1.56 2.01 -1.26 -4.68 118.68 112.74 2ka7 s LEU 69 Ca 0.03 -0.95 -0.17 0.00 0.01 0.00 0.00 54.13 53.05 2ka7 s LEU 69 Cb 0.09 -0.24 -0.05 0.00 0.01 0.00 0.00 46.19 46.00 2ka7 s LEU 69 CO 0.70 -0.36 1.04 -0.44 1.01 0.00 0.00 176.35 178.30 2ka7 s SER 70 N -2.91 6.06 0.00 2.29 0.01 -1.26 -3.24 113.70 114.64 2ka7 s SER 70 Ca 0.12 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2ka7 s SER 70 Cb 0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2ka7 s SER 70 CO -0.01 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2ka7 n GLY 71 N -0.98 -0.66 3.16 3.44 0.00 -1.24 -3.35 105.19 105.56 2ka7 n GLY 71 Ca 0.08 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 2ka7 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka7 s LYS 72 N -1.79 1.27 0.48 1.61 3.01 -1.15 -1.59 119.74 121.59 2ka7 s LYS 72 Ca 0.00 -0.65 -0.23 0.00 -1.01 0.00 0.00 55.97 54.09 2ka7 s LYS 72 Cb 0.00 -1.26 -0.07 0.00 -1.01 0.00 0.00 37.83 35.49 2ka7 s LYS 72 CO 0.00 0.34 1.21 0.42 0.51 0.00 0.00 175.35 177.83 2ka7 s ILE 73 N -0.49 2.88 0.00 2.17 -1.09 0.48 -0.68 121.20 124.46 2ka7 s ILE 73 Ca 0.06 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 2ka7 s ILE 73 Cb -0.07 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2ka7 s ILE 73 CO -0.00 -0.01 0.00 1.33 -1.23 0.00 0.00 174.94 175.03 2ka7 n VAL 74 N -0.62 0.00 -3.95 2.92 0.24 -0.90 -3.02 118.33 113.00 2ka7 n VAL 74 Ca 0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 2ka7 n VAL 74 Cb 0.47 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 33.21 2ka7 n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ka7 s GLU 75 N 0.00 0.43 0.10 7.34 2.12 -1.12 -4.90 118.70 122.67 2ka7 s GLU 75 Ca 0.00 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.73 2ka7 s GLU 75 Cb 0.00 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2ka7 s GLU 75 CO 0.00 -0.09 -0.07 0.14 -0.54 0.00 0.00 175.26 174.70 2ka7 s VAL 76 N -1.83 0.72 -0.76 3.70 -7.23 -1.26 -0.56 120.40 113.18 2ka7 s VAL 76 Ca -0.12 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.01 2ka7 s VAL 76 Cb -0.06 -1.69 0.20 0.00 0.56 0.00 0.00 36.38 35.39 2ka7 s VAL 76 CO -0.02 -0.87 0.66 0.21 -0.31 0.00 0.00 175.10 174.77 2ka7 s ASN 77 N -3.05 6.22 0.30 4.85 2.47 -0.84 -4.91 114.94 119.99 2ka7 s ASN 77 Ca 0.12 -2.77 0.21 0.00 0.42 0.00 0.00 52.86 50.84 2ka7 s ASN 77 Cb 0.05 -2.08 1.10 0.00 -1.45 0.00 0.00 41.25 38.87 2ka7 s ASN 77 CO -0.04 -0.50 1.65 -0.62 -3.72 0.00 0.00 177.10 173.87 2ka7 n GLU 78 N 3.77 0.14 -0.30 0.43 1.02 -1.26 -0.78 120.64 123.66 2ka7 n GLU 78 Ca 0.12 0.60 0.02 0.00 -0.02 0.00 0.00 57.16 57.88 2ka7 n GLU 78 Cb 0.44 -1.93 0.16 0.00 -0.02 0.00 0.00 31.44 30.08 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ka7 h LYS 79 N 0.00 0.84 0.00 3.49 1.57 -1.95 -3.01 116.57 117.52 2ka7 h LYS 79 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2ka7 h LYS 79 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2ka7 h LYS 79 CO 0.00 0.56 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.25 2ka7 h LEU 80 N 0.86 0.00 -0.16 2.94 -0.00 -1.21 -0.29 115.31 117.45 2ka7 h LEU 80 Ca 0.39 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.30 2ka7 h LEU 80 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2ka7 h LEU 80 CO -0.22 0.11 0.00 -0.78 -0.00 0.00 0.00 178.44 177.56 2ka7 h ASP 81 N 0.00 -0.05 0.80 -0.43 1.82 -1.67 -3.05 116.42 113.83 2ka7 h ASP 81 Ca -0.00 0.03 -0.24 0.00 -0.39 0.00 0.00 57.03 56.43 2ka7 h ASP 81 Cb 0.67 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.71 2ka7 h ASP 81 CO 0.01 -0.00 -1.24 0.71 -1.61 0.00 0.00 179.24 177.11 2ka7 h THR 82 N 0.06 1.43 -1.14 2.25 1.35 -1.17 -3.42 112.91 112.28 2ka7 h THR 82 Ca 0.07 -3.17 -0.39 0.00 -0.55 0.00 0.00 66.41 62.38 2ka7 h THR 82 Cb 0.09 2.74 -0.27 0.00 -1.73 0.00 0.00 68.15 68.98 2ka7 h THR 82 CO -0.12 0.83 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.57 2ka7 n GLU 83 N -3.29 0.67 -0.32 4.72 -0.58 -0.30 -5.03 120.64 116.51 2ka7 n GLU 83 Ca -0.06 -2.51 0.11 0.00 -0.42 0.00 0.00 57.16 54.28 2ka7 n GLU 83 Cb 0.98 -1.38 0.28 0.00 -0.57 0.00 0.00 31.44 30.76 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2ka7 h PRO 84 N 4.24 0.61 0.00 3.49 0.13 -1.77 -1.97 132.00 136.73 2ka7 h PRO 84 Ca -0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2ka7 h PRO 84 Cb 0.96 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ka7 h PRO 84 CO 0.36 0.40 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 2ka7 n GLU 85 N -4.87 0.20 0.31 0.86 0.28 -1.26 -3.31 120.64 112.85 2ka7 n GLU 85 Ca 0.21 0.10 0.19 0.00 -0.16 0.00 0.00 57.16 57.50 2ka7 n GLU 85 Cb 0.54 -1.50 1.04 0.00 1.43 0.00 0.00 31.44 32.96 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2ka7 h LEU 86 N 0.00 0.00 -2.48 -1.84 3.38 -1.75 0.15 115.31 112.76 2ka7 h LEU 86 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ka7 h LEU 86 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ka7 h LEU 86 CO 0.00 0.01 -0.02 0.40 0.09 0.00 0.00 178.44 178.92 2ka7 h ILE 87 N 0.00 0.40 0.34 1.22 2.04 -1.78 -0.63 117.51 119.11 2ka7 h ILE 87 Ca -0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2ka7 h ILE 87 Cb 0.04 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2ka7 h ILE 87 CO 0.00 0.02 -0.16 0.78 0.00 0.00 0.00 178.15 178.79 2ka7 h ASN 88 N 0.00 -0.39 -0.86 1.72 2.35 -0.99 -2.31 115.58 115.10 2ka7 h ASN 88 Ca -0.00 -0.10 0.17 0.00 -0.55 0.00 0.00 56.30 55.83 2ka7 h ASN 88 Cb 0.07 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 2ka7 h ASN 88 CO 0.00 0.07 0.57 0.11 -1.65 0.00 0.00 177.43 176.53 2ka7 h LYS 89 N -1.05 0.46 -0.54 0.81 1.79 -1.36 -3.37 116.57 113.32 2ka7 h LYS 89 Ca -0.05 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.54 2ka7 h LYS 89 Cb 0.46 -0.10 -0.20 0.00 -1.58 0.00 0.00 32.23 30.81 2ka7 h LYS 89 CO 0.08 0.31 -0.15 0.34 -1.08 0.00 0.00 179.45 178.94 2ka7 s ASP 90 N -5.75 -0.88 0.14 0.86 -1.08 -0.32 -5.03 116.67 104.61 2ka7 s ASP 90 Ca -0.09 0.12 0.17 0.00 -0.52 0.00 0.00 52.55 52.24 2ka7 s ASP 90 Cb 0.22 1.57 0.76 0.00 -1.46 0.00 0.00 42.92 44.00 2ka7 s ASP 90 CO 0.78 -0.16 1.53 -0.81 0.52 0.00 0.00 175.17 177.03 2ka7 n PRO 91 N 5.24 0.09 -0.00 4.34 -0.04 -0.87 -1.16 135.00 142.60 2ka7 n PRO 91 Ca 0.07 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.94 2ka7 n PRO 91 Cb 0.56 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2ka7 n PRO 91 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2ka7 n GLU 92 N -1.89 0.35 0.00 0.54 0.28 -1.26 -4.19 120.64 114.47 2ka7 n GLU 92 Ca 0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ka7 n GLU 92 Cb 0.15 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.00 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ka7 n GLY 93 N 2.34 1.43 0.01 -1.84 0.00 -1.21 -4.76 105.19 101.15 2ka7 n GLY 93 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2ka7 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 94 N 0.00 0.47 -0.27 1.61 -0.58 -1.25 -4.42 120.64 116.21 2ka7 n GLU 94 Ca 0.00 -0.12 -0.05 0.00 -0.42 0.00 0.00 57.16 56.57 2ka7 n GLU 94 Cb 0.00 -1.54 0.03 0.00 -0.57 0.00 0.00 31.44 29.37 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ka7 n GLY 95 N 1.32 2.52 3.76 0.62 0.00 -0.31 -4.91 105.19 108.19 2ka7 n GLY 95 Ca -0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2ka7 n GLY 95 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ka7 s TRP 96 N -0.61 2.56 -0.05 1.61 1.48 -1.26 -4.48 118.94 118.18 2ka7 s TRP 96 Ca 0.11 1.21 -0.05 0.00 -1.06 0.00 0.00 56.10 56.30 2ka7 s TRP 96 Cb 0.09 -3.14 -0.02 0.00 -1.16 0.00 0.00 33.47 29.24 2ka7 s TRP 96 CO 0.02 -2.09 -0.11 1.28 -4.06 0.00 0.00 176.95 171.99 2ka7 n LEU 97 N -3.66 0.59 -4.18 -4.66 4.77 -0.21 -4.76 117.00 104.89 2ka7 n LEU 97 Ca 0.07 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2ka7 n LEU 97 Cb 0.56 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2ka7 n LEU 97 CO 0.56 -0.43 -0.12 0.72 -1.33 0.00 0.00 177.39 176.79 2ka7 s PHE 98 N -1.58 1.17 0.16 -1.77 -0.12 -1.18 -1.98 117.98 112.67 2ka7 s PHE 98 Ca -0.09 -1.34 0.08 0.00 -0.05 0.00 0.00 56.93 55.53 2ka7 s PHE 98 Cb 0.01 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 2ka7 s PHE 98 CO 0.13 -0.79 -0.19 0.15 -0.05 0.00 0.00 175.22 174.48 2ka7 s LYS 99 N -3.88 1.26 -0.00 1.99 1.02 0.28 -1.07 119.74 119.34 2ka7 s LYS 99 Ca 0.36 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 2ka7 s LYS 99 Cb 0.04 -1.34 -0.00 0.00 -0.52 0.00 0.00 37.83 36.01 2ka7 s LYS 99 CO 0.16 0.28 0.02 0.00 -0.92 0.00 0.00 175.35 174.88 2ka7 s MET 100 N -2.70 0.10 -0.38 1.68 0.23 -0.42 -2.11 119.30 115.71 2ka7 s MET 100 Ca 0.15 -0.11 -0.28 0.00 -1.03 0.00 0.00 55.69 54.41 2ka7 s MET 100 Cb -0.06 0.04 0.02 0.00 -1.53 0.00 0.00 34.83 33.30 2ka7 s MET 100 CO 0.06 -0.02 1.04 -2.00 -2.03 0.00 0.00 175.02 172.08 2ka7 s GLU 101 N -0.34 3.89 -0.62 3.16 2.12 0.14 -0.84 118.70 126.22 2ka7 s GLU 101 Ca -0.04 0.77 -0.27 0.00 0.36 0.00 0.00 54.97 55.79 2ka7 s GLU 101 Cb -0.02 -3.81 0.01 0.00 0.26 0.00 0.00 34.13 30.57 2ka7 s GLU 101 CO -0.00 -1.05 1.44 0.96 -0.54 0.00 0.00 175.26 176.06 2ka7 s ILE 102 N 3.82 3.71 0.31 -3.70 -4.36 -0.44 -2.91 121.20 117.63 2ka7 s ILE 102 Ca 0.44 0.54 -0.01 0.00 -0.26 0.00 0.00 60.65 61.35 2ka7 s ILE 102 Cb -0.11 -4.50 0.26 0.00 1.25 0.00 0.00 42.46 39.36 2ka7 s ILE 102 CO 0.21 -1.32 1.98 0.28 0.24 0.00 0.00 174.94 176.33 2ka7 h SER 103 N 11.32 0.90 -2.68 4.36 0.02 -1.88 -3.41 113.55 122.18 2ka7 h SER 103 Ca -0.27 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.09 2ka7 h SER 103 Cb 1.09 -0.23 -0.39 0.00 0.14 0.00 0.00 62.40 63.01 2ka7 h SER 103 CO 1.21 0.65 -0.82 -1.81 -1.14 0.00 0.00 176.83 174.92 2ka7 s ASP 104 N -6.33 3.19 0.15 3.07 1.01 -1.26 -4.93 116.67 111.56 2ka7 s ASP 104 Ca -0.11 -1.89 0.16 0.00 0.71 0.00 0.00 52.55 51.42 2ka7 s ASP 104 Cb 0.18 -0.40 0.73 0.00 1.01 0.00 0.00 42.92 44.44 2ka7 s ASP 104 CO 0.79 -0.35 1.50 1.21 0.21 0.00 0.00 175.17 178.52 2ka7 n GLU 105 N 4.44 0.09 0.06 8.23 2.13 -1.26 -2.03 120.64 132.31 2ka7 n GLU 105 Ca 0.06 0.43 -0.04 0.00 0.66 0.00 0.00 57.16 58.27 2ka7 n GLU 105 Cb 0.39 -1.71 0.18 0.00 0.27 0.00 0.00 31.44 30.56 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ka7 h GLY 106 N 1.44 0.36 1.78 8.31 0.00 -1.98 -2.82 103.07 110.16 2ka7 h GLY 106 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ka7 h GLY 106 CO 0.00 0.32 0.00 1.18 0.00 0.00 0.00 176.54 178.04 2ka7 n GLU 107 N -4.01 0.14 0.22 4.80 1.02 -0.86 -3.12 120.64 118.83 2ka7 n GLU 107 Ca -0.02 0.15 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 2ka7 n GLU 107 Cb 0.51 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.94 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ka7 h LEU 108 N 0.00 0.00 -0.17 -4.62 3.38 -1.63 -3.25 115.31 109.02 2ka7 h LEU 108 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2ka7 h LEU 108 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2ka7 h LEU 108 CO 0.00 0.25 -0.84 -0.33 0.09 0.00 0.00 178.44 177.61 2ka7 h GLU 109 N 0.00 0.00 0.00 1.13 5.08 -1.75 -2.90 114.58 116.15 2ka7 h GLU 109 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka7 h GLU 109 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ka7 h GLU 109 CO 0.03 0.84 0.00 0.22 -1.00 0.00 0.00 179.01 179.10 2ka7 h ASP 110 N 0.00 0.00 -1.74 1.42 1.82 -1.78 -3.44 116.42 112.71 2ka7 h ASP 110 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 2ka7 h ASP 110 Cb 1.57 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.58 2ka7 h ASP 110 CO 0.11 0.00 0.01 0.18 -1.61 0.00 0.00 179.24 177.93 2ka7 n LEU 111 N -2.97 0.00 -4.47 2.28 4.77 -1.09 -5.05 117.00 110.47 2ka7 n LEU 111 Ca 0.00 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 2ka7 n LEU 111 Cb 0.27 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2ka7 n LEU 111 CO 0.25 -0.89 -0.40 -0.76 -1.33 0.00 0.00 177.39 174.27 2ka7 s LEU 112 N 0.00 3.02 1.07 2.23 1.43 -0.41 -4.95 118.68 121.07 2ka7 s LEU 112 Ca 0.03 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 2ka7 s LEU 112 Cb -0.00 -1.69 0.23 0.00 0.03 0.00 0.00 46.19 44.76 2ka7 s LEU 112 CO 0.02 0.22 1.07 -1.81 0.23 0.00 0.00 176.35 176.09 2ka7 s ASP 113 N 0.05 1.63 0.06 2.29 1.01 -1.26 -0.88 116.67 119.57 2ka7 s ASP 113 Ca -0.02 1.83 -0.20 0.00 0.71 0.00 0.00 52.55 54.86 2ka7 s ASP 113 Cb -0.14 -2.44 -0.12 0.00 1.01 0.00 0.00 42.92 41.23 2ka7 s ASP 113 CO 0.03 -3.85 1.45 -0.08 0.21 0.00 0.00 175.17 172.94 2ka7 h GLU 114 N -2.38 0.33 -0.28 8.23 4.81 -1.97 0.79 114.58 124.11 2ka7 h GLU 114 Ca -0.54 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 2ka7 h GLU 114 Cb 1.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2ka7 h GLU 114 CO 0.46 0.59 0.03 0.37 -0.73 0.00 0.00 179.01 179.73 2ka7 h GLN 115 N 0.04 0.41 -0.33 1.92 4.15 -1.99 0.21 115.11 119.53 2ka7 h GLN 115 Ca 0.04 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2ka7 h GLN 115 Cb 0.46 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2ka7 h GLN 115 CO 0.02 0.42 -0.19 0.00 -1.93 0.00 0.00 178.83 177.14 2ka7 h ALA 116 N 1.64 0.47 -0.14 3.38 0.00 -1.88 -2.65 119.26 120.07 2ka7 h ALA 116 Ca 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2ka7 h ALA 116 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ka7 h ALA 116 CO 0.00 0.41 -0.27 -0.92 0.00 0.00 0.00 179.25 178.46 2ka7 h TYR 117 N 0.48 0.29 0.17 0.00 3.20 0.41 -0.64 116.97 120.89 2ka7 h TYR 117 Ca 0.07 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2ka7 h TYR 117 Cb 0.73 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 2ka7 h TYR 117 CO 0.06 0.52 -0.37 0.37 -1.64 0.00 0.00 178.16 177.11 2ka7 h GLN 118 N 0.24 -0.60 -0.42 1.82 4.15 -0.63 -2.17 115.11 117.49 2ka7 h GLN 118 Ca 0.04 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2ka7 h GLN 118 Cb 0.61 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2ka7 h GLN 118 CO 0.04 -0.40 0.15 1.49 -1.93 0.00 0.00 178.83 178.18 2ka7 h GLU 119 N -0.63 0.65 -0.28 1.69 4.81 -1.07 -2.15 114.58 117.60 2ka7 h GLU 119 Ca 0.02 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2ka7 h GLU 119 Cb 0.64 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2ka7 h GLU 119 CO -0.19 0.62 -0.12 0.35 -0.73 0.00 0.00 179.01 178.94 2ka7 h PHE 120 N 0.54 -0.28 -0.54 0.92 3.57 -1.14 -2.32 116.94 117.69 2ka7 h PHE 120 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2ka7 h PHE 120 Cb 0.23 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2ka7 h PHE 120 CO 0.01 -0.18 0.35 0.00 -2.23 0.00 0.00 178.31 176.26 2ka7 h ALA 122 N 1.66 1.20 -0.02 0.00 0.00 -0.91 -2.87 119.26 118.32 2ka7 h ALA 122 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ka7 h ALA 122 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ka7 h ALA 122 CO -0.04 0.12 -0.30 1.04 0.00 0.00 0.00 179.25 180.07 2ka7 n GLN 123 N -3.49 1.32 0.00 0.00 1.13 -0.37 -5.12 117.38 110.85 2ka7 n GLN 123 Ca -0.01 -1.00 0.13 0.00 -1.94 0.00 0.00 57.00 54.17 2ka7 n GLN 123 Cb 0.24 -1.48 0.30 0.00 0.11 0.00 0.00 30.24 29.41 2ka7 n GLN 123 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01