#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 s LYS 2 N 0.00 0.34 -0.17 0.03 1.02 -1.26 -4.42 119.74 115.27 2ka7 s LYS 2 Ca 0.00 0.76 -0.17 0.00 0.02 0.00 0.00 55.97 56.58 2ka7 s LYS 2 Cb 0.00 0.45 0.05 0.00 -0.52 0.00 0.00 37.83 37.80 2ka7 s LYS 2 CO 0.00 -0.21 0.48 1.41 -0.92 0.00 0.00 175.35 176.11 2ka7 s MET 3 N 2.67 0.58 -0.42 1.68 1.75 -0.32 -4.99 119.30 120.25 2ka7 s MET 3 Ca 0.01 0.64 0.03 0.00 -1.25 0.00 0.00 55.69 55.11 2ka7 s MET 3 Cb -0.09 0.28 0.16 0.00 2.84 0.00 0.00 34.83 38.02 2ka7 s MET 3 CO -0.17 -0.08 0.31 -1.59 -0.65 0.00 0.00 175.02 172.85 2ka7 s LYS 4 N 0.18 0.95 0.88 4.11 -2.85 -1.26 -0.75 119.74 121.00 2ka7 s LYS 4 Ca -0.01 -1.98 -0.12 0.00 -1.00 0.00 0.00 55.97 52.87 2ka7 s LYS 4 Cb -0.03 -1.60 0.17 0.00 -2.06 0.00 0.00 37.83 34.30 2ka7 s LYS 4 CO 0.01 -1.31 1.22 0.15 0.10 0.00 0.00 175.35 175.52 2ka7 s LYS 5 N 0.25 1.07 0.09 1.78 1.02 -1.20 -4.82 119.74 117.92 2ka7 s LYS 5 Ca 0.27 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.79 2ka7 s LYS 5 Cb -0.06 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2ka7 s LYS 5 CO -0.12 -2.07 -0.12 0.71 -0.92 0.00 0.00 175.35 172.82 2ka7 s TYR 6 N -3.66 1.18 0.22 3.18 1.51 -1.09 -1.33 117.35 117.35 2ka7 s TYR 6 Ca 0.70 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 2ka7 s TYR 6 Cb -0.05 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.19 2ka7 s TYR 6 CO 0.50 0.05 0.28 0.25 -1.11 0.00 0.00 175.55 175.52 2ka7 n THR 7 N 0.86 0.00 -0.17 -0.71 -2.24 -0.06 -1.80 114.28 110.16 2ka7 n THR 7 Ca -0.18 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 60.95 2ka7 n THR 7 Cb 0.56 -0.72 0.30 0.00 -2.10 0.00 0.00 70.33 68.37 2ka7 n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ka7 n LYS 8 N -1.39 2.63 -0.99 -0.78 5.02 -1.26 -4.38 118.16 117.02 2ka7 n LYS 8 Ca 0.05 -2.44 -0.02 0.00 -2.02 0.00 0.00 58.31 53.88 2ka7 n LYS 8 Cb 0.23 -1.55 0.16 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.44 2.30 -3.54 -0.18 -2.24 -1.26 -4.98 114.28 105.82 2ka7 n THR 9 Ca 0.23 -3.51 -0.25 0.00 -2.27 0.00 0.00 64.05 58.25 2ka7 n THR 9 Cb 0.59 -0.49 0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.01 -2.55 -4.26 4.78 8.25 -1.26 -4.87 115.22 114.30 2ka7 n HIS 10 Ca 0.26 0.88 -0.18 0.00 -0.26 0.00 0.00 57.72 58.41 2ka7 n HIS 10 Cb 0.77 -4.63 -0.15 0.00 1.12 0.00 0.00 29.99 27.10 2ka7 n HIS 10 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2ka7 s GLU 11 N -6.25 0.67 0.36 -0.41 2.12 -1.26 -0.40 118.70 113.52 2ka7 s GLU 11 Ca 0.54 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.72 2ka7 s GLU 11 Cb -0.25 -0.65 -0.02 0.00 0.26 0.00 0.00 34.13 33.46 2ka7 s GLU 11 CO 0.67 0.10 0.32 1.67 -0.54 0.00 0.00 175.26 177.48 2ka7 s TRP 12 N 0.11 2.85 0.00 5.30 1.48 -0.12 -0.88 118.94 127.68 2ka7 s TRP 12 Ca -0.01 -0.35 -0.01 0.00 -1.06 0.00 0.00 56.10 54.66 2ka7 s TRP 12 Cb -0.06 -1.91 -0.01 0.00 -1.16 0.00 0.00 33.47 30.33 2ka7 s TRP 12 CO -0.00 0.09 0.02 0.08 -4.06 0.00 0.00 176.95 173.08 2ka7 s VAL 13 N -2.35 0.05 -0.39 -0.66 1.01 -0.44 -3.21 120.40 114.40 2ka7 s VAL 13 Ca 0.43 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2ka7 s VAL 13 Cb -0.05 -0.17 0.16 0.00 0.00 0.00 0.00 36.38 36.32 2ka7 s VAL 13 CO 0.27 -0.22 0.31 -0.44 0.00 0.00 0.00 175.10 175.02 2ka7 s SER 14 N -0.67 1.81 0.06 3.32 0.01 0.08 -3.26 113.70 115.05 2ka7 s SER 14 Ca -0.07 -2.66 -0.30 0.00 1.31 0.00 0.00 55.95 54.23 2ka7 s SER 14 Cb -0.05 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 2ka7 s SER 14 CO -0.00 -0.22 0.98 -0.63 0.41 0.00 0.00 173.24 173.78 2ka7 s ILE 15 N 0.49 4.65 0.00 1.44 1.01 0.07 -1.76 121.20 127.10 2ka7 s ILE 15 Ca 0.27 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.97 2ka7 s ILE 15 Cb -0.06 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2ka7 s ILE 15 CO -0.12 0.24 0.00 -1.84 0.00 0.00 0.00 174.94 173.22 2ka7 n GLU 16 N 3.32 2.08 0.00 2.79 0.28 -1.22 -1.17 120.64 126.72 2ka7 n GLU 16 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2ka7 n GLU 16 Cb 0.50 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2ka7 n GLU 16 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ka7 n ASP 17 N -0.12 0.00 -0.37 -1.84 2.03 -1.26 -3.86 116.55 111.14 2ka7 n ASP 17 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ka7 n ASP 17 Cb 0.00 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ka7 n LYS 18 N -2.33 0.00 -3.73 -0.67 5.02 -1.26 -4.97 118.16 110.22 2ka7 n LYS 18 Ca 0.00 -0.68 -0.14 0.00 -2.02 0.00 0.00 58.31 55.47 2ka7 n LYS 18 Cb 0.00 -0.39 -0.15 0.00 -0.02 0.00 0.00 35.03 34.47 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka7 s VAL 19 N 0.00 -0.09 -0.04 -0.18 1.01 -1.26 -3.47 120.40 116.37 2ka7 s VAL 19 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 2ka7 s VAL 19 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2ka7 s VAL 19 CO 0.00 0.09 0.68 0.00 0.00 0.00 0.00 175.10 175.87 2ka7 s ALA 20 N 1.37 3.37 0.12 5.51 0.00 0.20 -3.45 121.76 128.88 2ka7 s ALA 20 Ca -0.07 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2ka7 s ALA 20 Cb -0.12 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 2ka7 s ALA 20 CO -0.06 -0.03 1.21 0.99 0.00 0.00 0.00 175.76 177.87 2ka7 s THR 21 N 0.53 3.78 -0.09 0.00 2.01 -0.72 -1.55 115.64 119.60 2ka7 s THR 21 Ca 0.36 1.37 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 2ka7 s THR 21 Cb -0.18 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 2ka7 s THR 21 CO 0.18 0.16 0.01 -0.69 -0.69 0.00 0.00 174.62 173.58 2ka7 s VAL 22 N 0.58 4.36 0.17 3.82 1.01 -0.21 -0.74 120.40 129.39 2ka7 s VAL 22 Ca 0.57 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 2ka7 s VAL 22 Cb -0.31 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2ka7 s VAL 22 CO 0.32 0.60 0.36 -0.83 0.00 0.00 0.00 175.10 175.55 2ka7 s GLY 23 N -0.81 0.26 0.48 4.51 0.00 -1.20 -1.49 107.32 109.07 2ka7 s GLY 23 Ca 0.12 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 44.02 2ka7 s GLY 23 CO 0.02 -0.64 0.96 -0.26 0.00 0.00 0.00 173.10 173.18 2ka7 s ILE 24 N -3.93 4.49 0.78 0.90 -4.36 -1.26 -0.94 121.20 116.88 2ka7 s ILE 24 Ca 0.14 1.30 -0.12 0.00 -0.26 0.00 0.00 60.65 61.71 2ka7 s ILE 24 Cb 0.02 -3.67 0.06 0.00 1.25 0.00 0.00 42.46 40.12 2ka7 s ILE 24 CO -0.02 -0.54 1.11 0.42 0.24 0.00 0.00 174.94 176.16 2ka7 s THR 25 N -2.44 2.92 0.37 8.37 -4.23 0.46 -4.57 115.64 116.52 2ka7 s THR 25 Ca 0.60 0.30 0.08 0.00 -1.18 0.00 0.00 61.69 61.48 2ka7 s THR 25 Cb -0.10 -3.16 0.30 0.00 1.34 0.00 0.00 72.50 70.89 2ka7 s THR 25 CO 0.24 -0.39 1.94 -0.55 -0.54 0.00 0.00 174.62 175.32 2ka7 h ASN 26 N -0.99 0.63 -0.67 3.99 -1.07 -1.92 -2.05 115.58 113.49 2ka7 h ASN 26 Ca -0.47 0.01 0.14 0.00 0.07 0.00 0.00 56.30 56.05 2ka7 h ASN 26 Cb 1.28 -0.12 -0.04 0.00 -2.07 0.00 0.00 38.32 37.37 2ka7 h ASN 26 CO 0.62 0.38 0.45 -0.74 0.07 0.00 0.00 177.43 178.22 2ka7 h HIS 27 N 0.70 0.38 -0.02 4.14 2.76 -1.93 -1.08 115.15 120.10 2ka7 h HIS 27 Ca 0.34 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 2ka7 h HIS 27 Cb 0.41 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ka7 h HIS 27 CO -0.00 0.15 -0.01 0.00 -1.30 0.00 0.00 177.93 176.78 2ka7 h ALA 28 N 1.68 0.03 0.00 5.26 0.00 -1.67 -2.89 119.26 121.67 2ka7 h ALA 28 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ka7 h ALA 28 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ka7 h ALA 28 CO -0.08 -0.26 -0.04 -0.56 0.00 0.00 0.00 179.25 178.30 2ka7 h GLN 29 N -0.34 0.00 -0.05 0.00 -0.00 -1.34 -1.73 115.11 111.66 2ka7 h GLN 29 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2ka7 h GLN 29 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2ka7 h GLN 29 CO 0.00 0.04 -0.01 1.05 -0.00 0.00 0.00 178.83 179.91 2ka7 h GLU 30 N 0.00 0.09 -0.01 0.06 4.11 -1.04 0.15 114.58 117.94 2ka7 h GLU 30 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2ka7 h GLU 30 Cb 0.09 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ka7 h GLU 30 CO 0.01 0.45 -0.00 -0.56 0.07 0.00 0.00 179.01 178.97 2ka7 h GLN 31 N -0.27 0.02 -0.34 1.06 3.07 -1.43 -3.32 115.11 113.90 2ka7 h GLN 31 Ca 0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 2ka7 h GLN 31 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.96 2ka7 h GLN 31 CO 0.01 0.45 -0.03 -0.07 0.09 0.00 0.00 178.83 179.28 2ka7 h LEU 32 N -0.42 0.50 0.00 0.06 3.38 -1.26 -3.47 115.31 114.11 2ka7 h LEU 32 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ka7 h LEU 32 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ka7 h LEU 32 CO 0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2ka7 n GLY 33 N -0.81 3.27 3.61 0.83 0.00 0.51 -4.48 105.19 108.11 2ka7 n GLY 33 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2ka7 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka7 s ASP 34 N -4.00 5.99 0.82 1.61 1.01 -1.26 -4.90 116.67 115.94 2ka7 s ASP 34 Ca 0.00 1.43 0.00 0.00 0.71 0.00 0.00 52.55 54.69 2ka7 s ASP 34 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2ka7 s ASP 34 CO 0.00 -1.61 0.00 0.52 0.21 0.00 0.00 175.17 174.29 2ka7 n VAL 35 N 7.20 0.00 0.00 -1.27 0.31 -1.26 -1.91 118.33 121.40 2ka7 n VAL 35 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2ka7 n VAL 35 Cb 0.46 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2ka7 n VAL 35 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ka7 n VAL 36 N -1.79 0.00 -3.66 2.52 3.14 -1.26 -4.39 118.33 112.89 2ka7 n VAL 36 Ca 0.00 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 2ka7 n VAL 36 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 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 -1.03 -0.35 -0.03 1.45 5.04 -1.03 -4.79 117.35 116.62 2ka7 s TYR 37 Ca 0.00 0.52 0.02 0.00 -2.44 0.00 0.00 57.07 55.16 2ka7 s TYR 37 Cb 0.00 0.23 0.01 0.00 0.35 0.00 0.00 41.96 42.55 2ka7 s TYR 37 CO 0.00 -0.51 -0.06 0.08 -1.34 0.00 0.00 175.55 173.73 2ka7 s VAL 38 N -1.59 0.58 -0.01 3.14 1.01 -1.26 -2.37 120.40 119.89 2ka7 s VAL 38 Ca -0.11 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2ka7 s VAL 38 Cb -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.75 2ka7 s VAL 38 CO 0.04 0.21 0.48 -0.62 0.00 0.00 0.00 175.10 175.21 2ka7 s ASP 39 N 0.49 6.86 0.04 3.32 2.15 0.48 -4.73 116.67 125.28 2ka7 s ASP 39 Ca -0.07 1.02 0.02 0.00 0.43 0.00 0.00 52.55 53.95 2ka7 s ASP 39 Cb -0.10 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2ka7 s ASP 39 CO 0.00 0.22 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.39 2ka7 s LEU 40 N -0.63 2.23 0.00 -1.34 2.01 -1.26 -3.66 118.68 116.03 2ka7 s LEU 40 Ca 0.26 -0.51 -0.07 0.00 0.01 0.00 0.00 54.13 53.82 2ka7 s LEU 40 Cb -0.17 -0.15 0.09 0.00 0.01 0.00 0.00 46.19 45.97 2ka7 s LEU 40 CO 0.14 -0.19 0.54 -0.81 1.01 0.00 0.00 176.35 177.04 2ka7 n PRO 41 N 1.59 -0.62 -2.30 1.29 -0.04 -1.22 -4.97 135.00 128.73 2ka7 n PRO 41 Ca -0.22 -0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 62.12 2ka7 n PRO 41 Cb 0.55 -0.57 0.02 0.00 -0.04 0.00 0.00 33.50 33.46 2ka7 n PRO 41 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ka7 s GLU 42 N -4.18 3.28 -0.05 0.54 8.01 -1.26 -4.91 118.70 120.13 2ka7 s GLU 42 Ca 0.31 0.29 0.05 0.00 0.01 0.00 0.00 54.97 55.63 2ka7 s GLU 42 Cb -0.01 -2.23 0.24 0.00 -4.31 0.00 0.00 34.13 27.82 2ka7 s GLU 42 CO 0.22 -0.54 1.00 1.55 0.01 0.00 0.00 175.26 177.50 2ka7 n VAL 43 N -2.56 0.66 -1.55 2.63 3.14 -1.26 -2.95 118.33 116.43 2ka7 n VAL 43 Ca 0.04 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2ka7 n VAL 43 Cb 0.56 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 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 0.46 -0.81 3.71 7.55 0.00 -1.16 -4.17 105.19 110.77 2ka7 n GLY 44 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.54 0.50 1.61 3.52 -1.15 -4.85 118.95 123.12 2ka7 s ARG 45 Ca 0.00 1.33 -0.19 0.00 -0.13 0.00 0.00 55.73 56.74 2ka7 s ARG 45 Cb 0.00 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.86 2ka7 s ARG 45 CO 0.00 -0.02 1.03 -1.21 -0.81 0.00 0.00 175.30 174.28 2ka7 s GLU 46 N 0.95 3.77 0.15 5.12 2.02 -1.26 -0.68 118.70 128.77 2ka7 s GLU 46 Ca 0.49 1.27 -0.04 0.00 0.02 0.00 0.00 54.97 56.71 2ka7 s GLU 46 Cb -0.20 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 2ka7 s GLU 46 CO 0.26 -0.44 0.16 0.14 0.02 0.00 0.00 175.26 175.40 2ka7 s VAL 47 N -2.14 0.08 0.41 2.63 -7.23 0.20 -4.89 120.40 109.47 2ka7 s VAL 47 Ca 0.65 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2ka7 s VAL 47 Cb -0.15 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 2ka7 s VAL 47 CO 0.23 -0.35 0.05 -0.54 -0.31 0.00 0.00 175.10 174.18 2ka7 s LYS 48 N -4.02 2.03 0.00 4.82 1.02 -1.26 -1.59 119.74 120.73 2ka7 s LYS 48 Ca 0.22 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.15 2ka7 s LYS 48 Cb 0.06 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2ka7 s LYS 48 CO 0.02 -0.08 0.10 0.36 -0.92 0.00 0.00 175.35 174.83 2ka7 n LYS 49 N -1.05 0.14 -2.87 1.68 2.85 -1.20 -3.22 118.16 114.50 2ka7 n LYS 49 Ca -0.05 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2ka7 n LYS 49 Cb 0.66 -1.04 0.01 0.00 -0.65 0.00 0.00 35.03 34.01 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ka7 s GLY 50 N -1.28 -1.51 -0.03 2.58 0.00 -0.91 -4.57 107.32 101.60 2ka7 s GLY 50 Ca 0.00 0.62 -0.00 0.00 0.00 0.00 0.00 44.72 45.34 2ka7 s GLY 50 CO 0.00 4.05 0.01 -0.54 0.00 0.00 0.00 173.10 176.62 2ka7 s GLU 51 N 1.59 0.18 0.00 2.90 2.02 -1.20 -4.85 118.70 119.34 2ka7 s GLU 51 Ca 0.19 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.32 2ka7 s GLU 51 Cb 0.03 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.82 2ka7 s GLU 51 CO -0.11 -0.17 1.10 0.28 0.02 0.00 0.00 175.26 176.38 2ka7 n VAL 52 N 4.30 1.10 0.58 2.63 0.31 -1.25 -1.05 118.33 124.95 2ka7 n VAL 52 Ca -0.24 -0.25 -0.04 0.00 -0.01 0.00 0.00 64.34 63.80 2ka7 n VAL 52 Cb 0.50 -1.22 0.04 0.00 -0.91 0.00 0.00 33.84 32.26 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 53 N 1.53 1.28 -2.71 2.52 0.24 -1.19 -3.82 118.33 116.18 2ka7 n VAL 53 Ca 0.00 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 2ka7 n VAL 53 Cb 0.30 -0.82 0.08 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.17 -2.21 -1.69 2.33 0.00 -1.25 -3.42 120.51 114.44 2ka7 n ALA 54 Ca 0.11 -0.93 -0.38 0.00 0.00 0.00 0.00 53.44 52.24 2ka7 n ALA 54 Cb 0.68 -2.15 0.06 0.00 0.00 0.00 0.00 19.45 18.04 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka7 n SER 55 N 1.18 1.78 -4.01 0.00 7.64 -1.24 -2.50 113.62 116.48 2ka7 n SER 55 Ca 0.04 0.86 -0.31 0.00 1.01 0.00 0.00 58.87 60.47 2ka7 n SER 55 Cb 0.69 -1.50 -0.15 0.00 -1.01 0.00 0.00 64.21 62.23 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 56 N -1.40 1.91 -0.18 0.44 1.01 -0.66 -0.39 121.20 121.94 2ka7 s ILE 56 Ca 0.77 -1.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 2ka7 s ILE 56 Cb -0.41 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2ka7 s ILE 56 CO 0.45 -0.11 0.63 -0.70 0.00 0.00 0.00 174.94 175.21 2ka7 s GLU 57 N 1.21 4.24 0.59 2.79 2.56 -1.00 -0.82 118.70 128.26 2ka7 s GLU 57 Ca -0.06 0.64 0.09 0.00 0.00 0.00 0.00 54.97 55.64 2ka7 s GLU 57 Cb -0.19 -3.56 0.09 0.00 2.00 0.00 0.00 34.13 32.46 2ka7 s GLU 57 CO -0.06 -0.19 0.72 -1.13 -0.56 0.00 0.00 175.26 174.04 2ka7 n SER 58 N 4.87 2.32 -0.32 -1.70 3.41 0.57 -2.46 113.62 120.30 2ka7 n SER 58 Ca -0.01 -2.67 0.29 0.00 -0.26 0.00 0.00 58.87 56.22 2ka7 n SER 58 Cb 0.50 -0.34 0.62 0.00 -0.26 0.00 0.00 64.21 64.73 2ka7 n SER 58 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2ka7 h VAL 59 N 0.24 0.45 0.00 -3.33 3.04 -1.59 -3.30 116.25 111.77 2ka7 h VAL 59 Ca -0.30 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2ka7 h VAL 59 Cb 1.28 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2ka7 h VAL 59 CO 0.44 0.04 0.00 0.29 -1.01 0.00 0.00 177.57 177.32 2ka7 n LYS 60 N -4.44 0.00 -4.61 4.17 5.02 -1.26 -5.12 118.16 111.92 2ka7 n LYS 60 Ca 0.26 -0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 2ka7 n LYS 60 Cb 1.06 -0.30 -0.11 0.00 -0.02 0.00 0.00 35.03 35.67 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka7 s ALA 61 N 0.00 3.12 0.10 7.82 0.00 -1.25 -5.15 121.76 126.41 2ka7 s ALA 61 Ca 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 51.96 49.85 2ka7 s ALA 61 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2ka7 s ALA 61 CO 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 175.76 175.46 2ka7 s ALA 62 N -2.78 2.74 -0.39 0.00 0.00 -1.26 -0.32 121.76 119.75 2ka7 s ALA 62 Ca 0.34 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2ka7 s ALA 62 Cb 0.09 -0.73 0.14 0.00 0.00 0.00 0.00 23.12 22.63 2ka7 s ALA 62 CO 0.17 0.60 0.24 0.00 0.00 0.00 0.00 175.76 176.77 2ka7 s ALA 63 N -1.13 1.39 -0.48 0.00 0.00 0.00 -4.97 121.76 116.58 2ka7 s ALA 63 Ca 0.18 -2.18 -0.46 0.00 0.00 0.00 0.00 51.96 49.50 2ka7 s ALA 63 Cb -0.11 -1.70 -0.20 0.00 0.00 0.00 0.00 23.12 21.12 2ka7 s ALA 63 CO 0.10 -2.08 1.57 -0.40 0.00 0.00 0.00 175.76 174.95 2ka7 n ASP 64 N 3.73 1.15 -4.80 0.00 5.75 -1.26 -1.65 116.55 119.47 2ka7 n ASP 64 Ca 0.13 1.18 -0.38 0.00 -0.01 0.00 0.00 54.79 55.71 2ka7 n ASP 64 Cb 0.37 -0.87 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 2ka7 n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ka7 s VAL 65 N 2.86 5.16 -0.43 2.12 1.01 -1.04 -4.91 120.40 125.17 2ka7 s VAL 65 Ca 1.03 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 2ka7 s VAL 65 Cb -1.48 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 31.34 2ka7 s VAL 65 CO 0.80 0.51 0.23 -0.31 0.00 0.00 0.00 175.10 176.33 2ka7 s TYR 66 N -0.52 3.57 -0.19 5.22 2.02 -1.26 -3.18 117.35 123.01 2ka7 s TYR 66 Ca 0.22 -2.49 -0.30 0.00 -0.37 0.00 0.00 57.07 54.13 2ka7 s TYR 66 Cb -0.15 -3.21 -0.13 0.00 -0.40 0.00 0.00 41.96 38.06 2ka7 s TYR 66 CO 0.10 -0.95 0.92 0.00 -1.57 0.00 0.00 175.55 174.05 2ka7 n ALA 67 N 4.43 -1.65 0.18 3.71 0.00 -0.21 -4.53 120.51 122.45 2ka7 n ALA 67 Ca -0.01 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.87 2ka7 n ALA 67 Cb 0.41 -1.24 0.23 0.00 0.00 0.00 0.00 19.45 18.84 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 2.78 0.00 -4.06 0.00 0.13 -1.82 -2.42 132.00 126.61 2ka7 h PRO 68 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 2ka7 h PRO 68 Cb 0.94 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.90 2ka7 h PRO 68 CO 0.56 0.32 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.52 2ka7 s LEU 69 N -6.57 2.21 0.25 1.56 2.01 -1.26 -4.69 118.68 112.19 2ka7 s LEU 69 Ca 0.03 -0.78 -0.30 0.00 0.01 0.00 0.00 54.13 53.10 2ka7 s LEU 69 Cb 0.08 0.33 -0.09 0.00 0.01 0.00 0.00 46.19 46.53 2ka7 s LEU 69 CO 0.69 -0.53 1.12 -0.44 1.01 0.00 0.00 176.35 178.19 2ka7 s SER 70 N -2.47 7.23 0.00 2.29 0.01 -1.26 -3.21 113.70 116.30 2ka7 s SER 70 Ca -0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2ka7 s SER 70 Cb 0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2ka7 s SER 70 CO -0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2ka7 n GLY 71 N 1.50 -0.91 2.87 3.44 0.00 -0.62 -3.19 105.19 108.28 2ka7 n GLY 71 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 2ka7 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka7 s LYS 72 N -0.61 0.18 0.50 1.61 2.20 -1.11 -0.63 119.74 121.88 2ka7 s LYS 72 Ca 0.00 -0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.37 2ka7 s LYS 72 Cb 0.00 -0.24 -0.06 0.00 -1.51 0.00 0.00 37.83 36.02 2ka7 s LYS 72 CO 0.00 -0.02 1.26 0.42 -0.36 0.00 0.00 175.35 176.65 2ka7 s ILE 73 N 0.31 2.60 0.00 5.43 -1.09 0.14 -0.01 121.20 128.58 2ka7 s ILE 73 Ca -0.03 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2ka7 s ILE 73 Cb -0.05 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2ka7 s ILE 73 CO -0.01 -0.00 0.13 1.33 -1.23 0.00 0.00 174.94 175.16 2ka7 n VAL 74 N -0.73 0.00 -3.52 2.92 0.24 -0.65 -2.99 118.33 113.60 2ka7 n VAL 74 Ca 0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2ka7 n VAL 74 Cb 0.46 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 33.58 2ka7 n VAL 74 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ka7 s GLU 75 N 0.00 0.96 0.05 7.34 2.02 -1.12 -4.95 118.70 123.01 2ka7 s GLU 75 Ca 0.00 0.16 -0.00 0.00 0.02 0.00 0.00 54.97 55.15 2ka7 s GLU 75 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.65 2ka7 s GLU 75 CO 0.00 -0.32 -0.04 0.14 0.02 0.00 0.00 175.26 175.07 2ka7 s VAL 76 N -1.43 0.29 -1.03 2.63 -7.23 -1.26 -0.80 120.40 111.57 2ka7 s VAL 76 Ca -0.07 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 2ka7 s VAL 76 Cb -0.00 -1.37 0.27 0.00 0.56 0.00 0.00 36.38 35.84 2ka7 s VAL 76 CO 0.06 -0.91 1.12 -3.20 -0.31 0.00 0.00 175.10 171.86 2ka7 n ASN 77 N 0.30 5.35 0.06 4.85 5.15 -0.07 -4.84 115.26 126.06 2ka7 n ASN 77 Ca -0.15 -3.19 0.04 0.00 -0.60 0.00 0.00 54.58 50.68 2ka7 n ASN 77 Cb 0.60 -1.23 0.19 0.00 -0.53 0.00 0.00 39.78 38.81 2ka7 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ka7 n GLU 78 N 2.11 0.05 -0.20 1.20 1.02 -1.26 -0.96 120.64 122.60 2ka7 n GLU 78 Ca 0.24 0.51 0.26 0.00 -0.02 0.00 0.00 57.16 58.15 2ka7 n GLU 78 Cb 0.37 -1.71 0.66 0.00 -0.02 0.00 0.00 31.44 30.74 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 0.12 -0.00 3.49 1.57 -1.95 -1.79 116.57 118.00 2ka7 h LYS 79 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ka7 h LYS 79 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2ka7 h LYS 79 CO 0.00 0.08 -0.01 1.28 -0.57 0.00 0.00 179.45 180.23 2ka7 n LEU 80 N -4.35 0.01 0.17 2.94 7.99 -0.13 -1.10 117.00 122.53 2ka7 n LEU 80 Ca 0.19 0.44 0.02 0.00 -0.01 0.00 0.00 56.01 56.66 2ka7 n LEU 80 Cb 0.89 -0.45 0.36 0.00 -0.11 0.00 0.00 43.42 44.11 2ka7 n LEU 80 CO 0.36 0.00 0.75 -0.78 -1.51 0.00 0.00 177.39 176.21 2ka7 h ASP 81 N 0.00 0.04 0.00 -1.43 3.58 -1.53 -2.84 116.42 114.25 2ka7 h ASP 81 Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ka7 h ASP 81 Cb 0.45 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2ka7 h ASP 81 CO 0.00 0.38 -1.05 0.35 -2.88 0.00 0.00 179.24 176.04 2ka7 n THR 82 N -4.12 0.00 -3.20 2.25 -2.24 -1.04 -4.77 114.28 101.15 2ka7 n THR 82 Ca -0.02 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 2ka7 n THR 82 Cb 0.39 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 2ka7 n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ka7 n GLU 83 N -1.56 1.09 0.25 -0.78 -0.58 -0.26 -4.92 120.64 113.88 2ka7 n GLU 83 Ca -0.00 -3.50 0.11 0.00 -0.42 0.00 0.00 57.16 53.35 2ka7 n GLU 83 Cb 0.05 -1.50 0.66 0.00 -0.57 0.00 0.00 31.44 30.08 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 3.73 0.00 0.00 3.49 0.13 -1.71 -2.40 132.00 135.25 2ka7 h PRO 84 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2ka7 h PRO 84 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2ka7 h PRO 84 CO 0.53 0.15 0.00 1.49 -0.23 0.00 0.00 178.00 179.93 2ka7 h GLU 85 N 0.00 0.00 0.00 0.86 4.81 -1.88 -2.60 114.58 115.76 2ka7 h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ka7 h GLU 85 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2ka7 h GLU 85 CO 0.02 0.00 0.00 1.25 -0.73 0.00 0.00 179.01 179.55 2ka7 h LEU 86 N 0.00 0.00 -1.66 1.64 6.46 -1.83 0.15 115.31 120.08 2ka7 h LEU 86 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2ka7 h LEU 86 Cb 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 2ka7 h LEU 86 CO 0.00 0.00 -0.19 0.40 -0.62 0.00 0.00 178.44 178.03 2ka7 h ILE 87 N 0.00 1.03 0.23 4.05 2.04 -1.70 -0.12 117.51 123.03 2ka7 h ILE 87 Ca 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2ka7 h ILE 87 Cb 0.26 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2ka7 h ILE 87 CO 0.00 0.19 -0.11 0.78 0.00 0.00 0.00 178.15 179.01 2ka7 h ASN 88 N 0.00 -0.26 -0.65 1.72 2.35 -0.93 -2.50 115.58 115.32 2ka7 h ASN 88 Ca -0.00 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2ka7 h ASN 88 Cb 0.36 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 2ka7 h ASN 88 CO 0.02 0.24 0.39 0.50 -1.65 0.00 0.00 177.43 176.93 2ka7 h LYS 89 N -0.88 0.89 -1.28 0.81 3.11 -1.31 -3.38 116.57 114.53 2ka7 h LYS 89 Ca -0.03 -0.09 -0.18 0.00 -2.81 0.00 0.00 60.65 57.55 2ka7 h LYS 89 Cb 0.51 -0.18 -0.22 0.00 -1.00 0.00 0.00 32.23 31.33 2ka7 h LYS 89 CO 0.05 0.64 -0.54 0.34 -2.81 0.00 0.00 179.45 177.13 2ka7 s ASP 90 N -5.90 -0.77 0.08 4.20 -1.08 -0.07 -5.02 116.67 108.10 2ka7 s ASP 90 Ca -0.13 -1.31 0.11 0.00 -0.52 0.00 0.00 52.55 50.71 2ka7 s ASP 90 Cb 0.14 1.52 0.52 0.00 -1.46 0.00 0.00 42.92 43.64 2ka7 s ASP 90 CO 0.78 -0.16 1.36 -0.81 0.52 0.00 0.00 175.17 176.85 2ka7 n PRO 91 N 3.94 0.05 0.00 4.34 -0.04 -0.94 -0.95 135.00 141.40 2ka7 n PRO 91 Ca 0.14 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 2ka7 n PRO 91 Cb 0.54 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2ka7 n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ka7 n GLU 92 N -1.70 1.66 0.00 0.54 1.02 -1.26 -4.36 120.64 116.53 2ka7 n GLU 92 Ca 0.01 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 2ka7 n GLU 92 Cb 0.10 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 93 N -0.30 0.06 0.01 0.62 0.00 -1.08 -4.97 105.19 99.54 2ka7 n GLY 93 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.33 1.94 -0.24 1.61 -0.58 -1.18 -4.63 120.64 115.23 2ka7 n GLU 94 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2ka7 n GLU 94 Cb 0.00 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 2.59 1.98 3.72 0.62 0.00 -0.12 -4.91 105.19 109.08 2ka7 n GLY 95 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 0.23 2.10 -0.05 1.61 1.48 -1.26 -4.56 118.94 118.49 2ka7 s TRP 96 Ca 0.00 1.67 -0.05 0.00 -1.06 0.00 0.00 56.10 56.65 2ka7 s TRP 96 Cb 0.00 -3.22 -0.02 0.00 -1.16 0.00 0.00 33.47 29.07 2ka7 s TRP 96 CO 0.00 -2.32 -0.10 1.28 -4.06 0.00 0.00 176.95 171.75 2ka7 n LEU 97 N -3.73 0.60 -4.10 -4.66 4.77 -0.56 -4.73 117.00 104.59 2ka7 n LEU 97 Ca 0.11 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2ka7 n LEU 97 Cb 0.52 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2ka7 n LEU 97 CO 0.51 -0.43 0.01 0.72 -1.33 0.00 0.00 177.39 176.86 2ka7 s PHE 98 N -1.58 0.85 0.02 -1.77 -0.71 -1.19 -0.89 117.98 112.71 2ka7 s PHE 98 Ca -0.09 -1.11 0.02 0.00 -1.04 0.00 0.00 56.93 54.72 2ka7 s PHE 98 Cb 0.01 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 2ka7 s PHE 98 CO 0.13 -0.89 -0.08 0.15 -1.34 0.00 0.00 175.22 173.20 2ka7 s LYS 99 N -3.87 0.55 -0.12 1.99 1.02 0.02 -1.04 119.74 118.29 2ka7 s LYS 99 Ca 0.31 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 2ka7 s LYS 99 Cb 0.02 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 36.93 2ka7 s LYS 99 CO 0.13 0.10 0.33 0.00 -0.92 0.00 0.00 175.35 174.99 2ka7 s MET 100 N -0.97 0.38 0.46 1.68 0.23 -0.59 -1.64 119.30 118.86 2ka7 s MET 100 Ca -0.04 0.45 -0.24 0.00 -1.03 0.00 0.00 55.69 54.82 2ka7 s MET 100 Cb -0.07 0.19 -0.07 0.00 -1.53 0.00 0.00 34.83 33.35 2ka7 s MET 100 CO 0.00 -0.05 1.36 -2.00 -2.03 0.00 0.00 175.02 172.30 2ka7 s GLU 101 N 0.16 3.64 -0.46 3.16 2.12 0.99 -0.62 118.70 127.68 2ka7 s GLU 101 Ca -0.00 2.25 -0.22 0.00 0.36 0.00 0.00 54.97 57.36 2ka7 s GLU 101 Cb -0.02 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.83 2ka7 s GLU 101 CO 0.00 -0.80 0.72 0.96 -0.54 0.00 0.00 175.26 175.61 2ka7 s ILE 102 N -1.27 4.73 0.26 -3.70 -4.36 -1.23 -2.77 121.20 112.86 2ka7 s ILE 102 Ca 0.63 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 61.18 2ka7 s ILE 102 Cb -0.40 -4.29 0.06 0.00 1.25 0.00 0.00 42.46 39.08 2ka7 s ILE 102 CO 0.50 -0.72 1.69 0.28 0.24 0.00 0.00 174.94 176.94 2ka7 h SER 103 N 8.97 0.58 -2.08 4.36 0.02 -1.91 -3.41 113.55 120.09 2ka7 h SER 103 Ca -0.25 -0.20 -0.57 0.00 -0.84 0.00 0.00 61.79 59.93 2ka7 h SER 103 Cb 1.09 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.07 2ka7 h SER 103 CO 0.94 0.81 -0.98 0.47 -1.14 0.00 0.00 176.83 176.93 2ka7 n ASP 104 N -4.12 0.95 0.26 3.07 8.00 -1.26 -4.92 116.55 118.53 2ka7 n ASP 104 Ca -0.00 -2.84 0.15 0.00 0.71 0.00 0.00 54.79 52.81 2ka7 n ASP 104 Cb 0.41 -0.64 0.83 0.00 -0.02 0.00 0.00 41.12 41.69 2ka7 n ASP 104 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ka7 h GLU 105 N 4.15 0.00 0.00 -1.24 4.81 -1.93 -1.38 114.58 118.99 2ka7 h GLU 105 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2ka7 h GLU 105 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2ka7 h GLU 105 CO 0.54 0.00 -0.16 0.78 -0.73 0.00 0.00 179.01 179.44 2ka7 h GLY 106 N 0.00 0.00 2.00 1.92 0.00 -1.99 -2.96 103.07 102.05 2ka7 h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ka7 h GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2ka7 n GLU 107 N -3.19 0.12 -0.20 4.80 1.02 -0.52 -3.14 120.64 119.54 2ka7 n GLU 107 Ca 0.02 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 2ka7 n GLU 107 Cb 0.51 -1.71 0.39 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.61 0.00 -4.62 4.07 -1.65 -0.56 115.31 113.16 2ka7 h LEU 108 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2ka7 h LEU 108 Cb 0.40 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2ka7 h LEU 108 CO 0.00 0.36 0.00 -0.62 -1.08 0.00 0.00 178.44 177.10 2ka7 n GLU 109 N -4.50 0.12 0.18 1.13 -0.58 -1.19 -1.67 120.64 114.13 2ka7 n GLU 109 Ca 0.13 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.16 2ka7 n GLU 109 Cb 0.34 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.89 2ka7 n GLU 109 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ka7 h ASP 110 N 0.00 0.00 -4.17 1.62 1.82 -1.30 -3.47 116.42 110.92 2ka7 h ASP 110 Ca 0.00 -0.01 -0.50 0.00 -0.39 0.00 0.00 57.03 56.13 2ka7 h ASP 110 Cb 0.22 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.29 2ka7 h ASP 110 CO 0.00 0.00 0.34 -0.76 -1.61 0.00 0.00 179.24 177.21 2ka7 s LEU 111 N -5.76 3.24 0.29 2.28 2.01 -0.67 -5.04 118.68 115.03 2ka7 s LEU 111 Ca 0.06 1.21 -0.29 0.00 0.01 0.00 0.00 54.13 55.12 2ka7 s LEU 111 Cb 0.07 -4.17 -0.09 0.00 0.01 0.00 0.00 46.19 42.01 2ka7 s LEU 111 CO 0.68 -0.92 1.08 -0.76 1.01 0.00 0.00 176.35 177.44 2ka7 s LEU 112 N -5.12 4.51 1.14 1.79 1.43 -0.75 -4.89 118.68 116.80 2ka7 s LEU 112 Ca 0.54 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 2ka7 s LEU 112 Cb -0.11 -3.69 0.27 0.00 0.03 0.00 0.00 46.19 42.69 2ka7 s LEU 112 CO 0.51 -0.16 1.04 -1.81 0.23 0.00 0.00 176.35 176.17 2ka7 s ASP 113 N -0.98 1.13 0.08 2.29 1.11 -1.26 -2.66 116.67 116.37 2ka7 s ASP 113 Ca 0.46 1.66 -0.20 0.00 0.18 0.00 0.00 52.55 54.65 2ka7 s ASP 113 Cb -0.30 -2.38 -0.10 0.00 1.07 0.00 0.00 42.92 41.21 2ka7 s ASP 113 CO 0.39 -4.13 1.55 -0.08 1.18 0.00 0.00 175.17 174.07 2ka7 h GLU 114 N -2.58 0.33 0.07 8.23 4.81 -1.97 0.35 114.58 123.84 2ka7 h GLU 114 Ca -0.59 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2ka7 h GLU 114 Cb 1.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2ka7 h GLU 114 CO 0.48 0.49 -0.04 0.37 -0.73 0.00 0.00 179.01 179.59 2ka7 h GLN 115 N 0.13 -0.10 -0.19 1.92 4.15 -2.01 -3.06 115.11 115.95 2ka7 h GLN 115 Ca 0.06 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2ka7 h GLN 115 Cb 0.32 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2ka7 h GLN 115 CO 0.00 0.02 0.03 0.00 -1.93 0.00 0.00 178.83 176.96 2ka7 h ALA 116 N 0.72 1.70 -0.49 3.38 0.00 -1.84 -0.38 119.26 122.35 2ka7 h ALA 116 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ka7 h ALA 116 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ka7 h ALA 116 CO 0.02 0.24 0.30 -0.92 0.00 0.00 0.00 179.25 178.88 2ka7 h TYR 117 N 0.27 0.64 -0.17 0.00 3.20 -0.28 -1.03 116.97 119.60 2ka7 h TYR 117 Ca 0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2ka7 h TYR 117 Cb 0.14 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2ka7 h TYR 117 CO 0.00 0.44 -0.04 1.96 -1.64 0.00 0.00 178.16 178.88 2ka7 h GLN 118 N 0.65 0.33 -0.75 1.82 4.20 -1.00 -2.42 115.11 117.95 2ka7 h GLN 118 Ca 0.18 -0.13 0.11 0.00 0.06 0.00 0.00 58.65 58.87 2ka7 h GLN 118 Cb -0.02 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.66 2ka7 h GLN 118 CO -0.03 0.60 0.36 1.49 -0.67 0.00 0.00 178.83 180.57 2ka7 h GLU 119 N 0.05 0.56 -0.23 1.46 4.81 -1.32 -1.43 114.58 118.48 2ka7 h GLU 119 Ca 0.04 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2ka7 h GLU 119 Cb 0.47 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2ka7 h GLU 119 CO 0.02 0.37 0.08 0.35 -0.73 0.00 0.00 179.01 179.10 2ka7 h PHE 120 N 0.58 0.14 0.00 0.92 3.57 -0.94 -1.78 116.94 119.42 2ka7 h PHE 120 Ca 0.38 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 2ka7 h PHE 120 Cb 0.46 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ka7 h PHE 120 CO -0.12 0.06 -0.22 0.00 -2.23 0.00 0.00 178.31 175.81 2ka7 h ALA 122 N 1.78 0.76 0.00 0.00 0.00 -0.60 -3.07 119.26 118.13 2ka7 h ALA 122 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2ka7 h ALA 122 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ka7 h ALA 122 CO 0.03 0.84 0.00 1.04 0.00 0.00 0.00 179.25 181.16 2ka7 n GLN 123 N -3.75 0.02 0.00 0.00 1.13 -0.73 -5.10 117.38 108.96 2ka7 n GLN 123 Ca -0.02 0.45 0.07 0.00 -1.94 0.00 0.00 57.00 55.56 2ka7 n GLN 123 Cb 0.70 -1.57 0.43 0.00 0.11 0.00 0.00 30.24 29.91 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71