#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 -1.64 -3.87 0.03 4.81 0.30 -5.00 118.16 112.79 2ka7 n LYS 2 Ca 0.00 1.31 -0.09 0.00 -0.87 0.00 0.00 58.31 58.67 2ka7 n LYS 2 Cb 0.00 -3.97 -0.08 0.00 0.02 0.00 0.00 35.03 31.01 2ka7 n LYS 2 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2ka7 s MET 3 N -3.56 0.81 -0.11 1.64 1.75 -0.43 -5.02 119.30 114.38 2ka7 s MET 3 Ca 0.09 -0.94 -0.02 0.00 -1.25 0.00 0.00 55.69 53.57 2ka7 s MET 3 Cb -0.02 0.33 0.04 0.00 2.84 0.00 0.00 34.83 38.02 2ka7 s MET 3 CO 0.82 -0.25 0.02 -1.59 -0.65 0.00 0.00 175.02 173.38 2ka7 s LYS 4 N -3.71 0.51 0.54 4.11 0.00 -1.26 -0.68 119.74 119.25 2ka7 s LYS 4 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 55.97 56.04 2ka7 s LYS 4 Cb 0.04 -1.27 0.03 0.00 0.00 0.00 0.00 37.83 36.64 2ka7 s LYS 4 CO -0.10 -0.42 0.28 1.63 0.00 0.00 0.00 175.35 176.75 2ka7 n LYS 5 N 5.15 0.70 -4.40 1.78 5.02 -0.68 -4.77 118.16 120.95 2ka7 n LYS 5 Ca -0.07 -3.55 -0.20 0.00 -2.02 0.00 0.00 58.31 52.47 2ka7 n LYS 5 Cb 0.49 0.57 -0.10 0.00 -0.02 0.00 0.00 35.03 35.97 2ka7 n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2ka7 s TYR 6 N -2.78 1.79 0.25 2.13 1.51 0.04 -0.68 117.35 119.62 2ka7 s TYR 6 Ca 0.22 -1.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 2ka7 s TYR 6 Cb -0.02 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 2ka7 s TYR 6 CO 0.14 -0.15 0.04 0.25 -1.11 0.00 0.00 175.55 174.72 2ka7 n THR 7 N -0.62 0.00 -0.30 -0.71 -2.24 -0.35 -0.73 114.28 109.33 2ka7 n THR 7 Ca -0.02 -1.14 0.08 0.00 -2.27 0.00 0.00 64.05 60.70 2ka7 n THR 7 Cb 0.66 0.12 0.23 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.73 2.88 -0.58 -0.78 5.02 -1.26 -4.48 118.16 118.23 2ka7 n LYS 8 Ca -0.08 -2.34 0.08 0.00 -2.02 0.00 0.00 58.31 53.95 2ka7 n LYS 8 Cb 0.31 -1.43 0.31 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.89 2.18 -2.83 -0.18 -2.24 -1.26 -4.96 114.28 105.87 2ka7 n THR 9 Ca 0.17 -1.50 -0.09 0.00 -2.27 0.00 0.00 64.05 60.36 2ka7 n THR 9 Cb 0.54 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.28 -1.06 -4.45 4.78 -0.00 -1.26 -4.77 115.22 108.74 2ka7 n HIS 10 Ca 0.23 0.39 -0.20 0.00 -0.00 0.00 0.00 57.72 58.14 2ka7 n HIS 10 Cb 0.93 -2.73 -0.15 0.00 -0.00 0.00 0.00 29.99 28.04 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 -5.27 0.89 0.32 -0.41 2.02 -1.26 -0.61 118.70 114.38 2ka7 s GLU 11 Ca 0.17 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 54.86 2ka7 s GLU 11 Cb -0.08 -0.85 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 2ka7 s GLU 11 CO 0.28 0.21 0.36 1.67 0.02 0.00 0.00 175.26 177.81 2ka7 s TRP 12 N -0.18 3.04 -0.29 1.61 1.48 -0.51 -1.21 118.94 122.88 2ka7 s TRP 12 Ca 0.03 -0.23 -0.00 0.00 -1.06 0.00 0.00 56.10 54.84 2ka7 s TRP 12 Cb -0.05 -1.83 0.14 0.00 -1.16 0.00 0.00 33.47 30.57 2ka7 s TRP 12 CO -0.00 0.15 0.31 0.08 -4.06 0.00 0.00 176.95 173.43 2ka7 s VAL 13 N -2.22 -0.42 -0.90 -0.66 1.01 0.15 -3.24 120.40 114.13 2ka7 s VAL 13 Ca 0.41 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2ka7 s VAL 13 Cb -0.08 -0.97 0.10 0.00 0.00 0.00 0.00 36.38 35.43 2ka7 s VAL 13 CO 0.28 -0.46 1.18 -0.44 0.00 0.00 0.00 175.10 175.66 2ka7 s SER 14 N 2.33 6.51 -0.15 3.32 0.01 0.09 -1.69 113.70 124.12 2ka7 s SER 14 Ca 0.10 -1.70 -0.29 0.00 1.31 0.00 0.00 55.95 55.37 2ka7 s SER 14 Cb -0.14 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2ka7 s SER 14 CO -0.31 -1.25 1.40 -0.63 0.41 0.00 0.00 173.24 172.86 2ka7 s ILE 15 N 3.52 4.03 0.00 1.44 1.09 0.15 -1.23 121.20 130.19 2ka7 s ILE 15 Ca 0.34 1.23 0.00 0.00 -1.10 0.00 0.00 60.65 61.12 2ka7 s ILE 15 Cb -0.06 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.51 2ka7 s ILE 15 CO -0.06 -0.16 0.00 -1.84 -0.10 0.00 0.00 174.94 172.79 2ka7 n GLU 16 N 6.90 0.00 0.00 2.79 0.28 -0.08 -1.32 120.64 129.21 2ka7 n GLU 16 Ca 0.15 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 2ka7 n GLU 16 Cb 0.44 -0.41 0.00 0.00 1.43 0.00 0.00 31.44 32.91 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 -2.14 0.00 -1.15 -1.84 2.03 -1.26 -0.54 116.55 111.66 2ka7 n ASP 17 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2ka7 n ASP 17 Cb 0.00 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.00 2.79 -4.24 -0.67 5.02 -1.26 -4.49 118.16 115.31 2ka7 n LYS 18 Ca 0.00 -1.97 -0.20 0.00 -2.02 0.00 0.00 58.31 54.12 2ka7 n LYS 18 Cb 0.00 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.24 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 -1.68 1.41 -0.04 -0.18 1.01 -1.26 -0.83 120.40 118.82 2ka7 s VAL 19 Ca 0.35 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 60.83 2ka7 s VAL 19 Cb 0.22 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2ka7 s VAL 19 CO 0.18 -0.26 -0.21 0.00 0.00 0.00 0.00 175.10 174.81 2ka7 s ALA 20 N -1.61 1.83 0.22 5.51 0.00 -0.01 -0.91 121.76 126.79 2ka7 s ALA 20 Ca 0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2ka7 s ALA 20 Cb -0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.42 2ka7 s ALA 20 CO 0.03 0.38 1.01 0.99 0.00 0.00 0.00 175.76 178.18 2ka7 s THR 21 N -0.23 3.97 0.03 0.00 2.01 -0.36 -1.51 115.64 119.55 2ka7 s THR 21 Ca 0.01 1.86 0.09 0.00 0.31 0.00 0.00 61.69 63.95 2ka7 s THR 21 Cb -0.11 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2ka7 s THR 21 CO 0.01 0.39 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.40 2ka7 s VAL 22 N -0.80 2.26 0.18 3.82 1.01 -0.38 -0.73 120.40 125.76 2ka7 s VAL 22 Ca 0.44 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2ka7 s VAL 22 Cb -0.28 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 2ka7 s VAL 22 CO 0.34 0.40 0.33 -0.83 0.00 0.00 0.00 175.10 175.34 2ka7 s GLY 23 N -1.18 0.45 0.67 4.51 0.00 -1.20 -1.49 107.32 109.09 2ka7 s GLY 23 Ca 0.12 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 2ka7 s GLY 23 CO 0.02 -0.76 1.05 -0.26 0.00 0.00 0.00 173.10 173.15 2ka7 s ILE 24 N -3.97 4.23 0.66 0.90 -4.36 -1.26 -1.42 121.20 115.97 2ka7 s ILE 24 Ca 0.18 0.72 -0.07 0.00 -0.26 0.00 0.00 60.65 61.22 2ka7 s ILE 24 Cb 0.02 -3.54 0.03 0.00 1.25 0.00 0.00 42.46 40.22 2ka7 s ILE 24 CO 0.01 -0.95 0.98 0.42 0.24 0.00 0.00 174.94 175.65 2ka7 s THR 25 N -3.09 3.14 0.41 8.37 -4.23 0.22 -4.57 115.64 115.89 2ka7 s THR 25 Ca 0.57 0.01 0.11 0.00 -1.18 0.00 0.00 61.69 61.20 2ka7 s THR 25 Cb -0.13 -3.30 0.32 0.00 1.34 0.00 0.00 72.50 70.73 2ka7 s THR 25 CO 0.55 -0.34 1.96 0.78 -0.54 0.00 0.00 174.62 177.04 2ka7 h ASN 26 N -0.43 0.47 -0.06 3.99 4.21 -1.90 -0.20 115.58 121.66 2ka7 h ASN 26 Ca -0.45 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.09 2ka7 h ASN 26 Cb 1.28 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2ka7 h ASN 26 CO 0.61 0.28 0.09 -0.74 -1.29 0.00 0.00 177.43 176.39 2ka7 h HIS 27 N 0.52 0.00 0.01 1.19 2.76 -1.93 -2.71 115.15 114.98 2ka7 h HIS 27 Ca 0.30 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.35 2ka7 h HIS 27 Cb 0.49 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2ka7 h HIS 27 CO -0.00 0.00 -0.65 0.00 -1.30 0.00 0.00 177.93 175.98 2ka7 h ALA 28 N 1.86 0.13 -0.33 5.26 0.00 -1.32 -3.34 119.26 121.52 2ka7 h ALA 28 Ca 0.03 -0.86 0.10 0.00 0.00 0.00 0.00 54.91 54.18 2ka7 h ALA 28 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ka7 h ALA 28 CO -0.00 0.36 0.27 -0.56 0.00 0.00 0.00 179.25 179.32 2ka7 h GLN 29 N -0.96 0.00 -0.14 0.00 -0.00 -1.42 0.17 115.11 112.77 2ka7 h GLN 29 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.51 2ka7 h GLN 29 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2ka7 h GLN 29 CO -0.09 0.00 0.24 0.93 -0.00 0.00 0.00 178.83 179.91 2ka7 h GLU 30 N 0.00 0.00 0.00 0.06 5.08 -1.61 0.12 114.58 118.23 2ka7 h GLU 30 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2ka7 h GLU 30 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2ka7 h GLU 30 CO -0.00 0.00 -0.68 1.04 -1.00 0.00 0.00 179.01 178.37 2ka7 n GLN 31 N -3.44 2.88 -0.01 2.33 1.13 0.03 -4.58 117.38 115.72 2ka7 n GLN 31 Ca 0.01 -0.02 -0.21 0.00 -1.94 0.00 0.00 57.00 54.84 2ka7 n GLN 31 Cb 0.34 -1.06 -0.13 0.00 0.11 0.00 0.00 30.24 29.50 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2ka7 h LEU 32 N 0.00 0.33 0.00 1.08 3.38 -1.03 -3.44 115.31 115.63 2ka7 h LEU 32 Ca 0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2ka7 h LEU 32 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ka7 h LEU 32 CO 0.00 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.79 2ka7 n GLY 33 N 1.75 0.68 3.61 0.83 0.00 -0.08 -4.51 105.19 107.47 2ka7 n GLY 33 Ca -0.28 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.55 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka7 n ASP 34 N -1.72 3.40 -4.88 1.61 2.03 -1.26 -4.86 116.55 110.87 2ka7 n ASP 34 Ca 0.00 0.57 -0.21 0.00 0.52 0.00 0.00 54.79 55.67 2ka7 n ASP 34 Cb 0.00 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 38.90 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ka7 s VAL 35 N 6.34 3.14 0.00 5.18 0.11 -1.26 -2.41 120.40 131.50 2ka7 s VAL 35 Ca 0.97 -1.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2ka7 s VAL 35 Cb -0.50 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2ka7 s VAL 35 CO 0.42 -0.08 0.00 1.33 -3.33 0.00 0.00 175.10 173.44 2ka7 n VAL 36 N -1.50 0.00 -3.78 2.04 0.24 -1.26 -4.04 118.33 110.03 2ka7 n VAL 36 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 2ka7 n VAL 36 Cb 0.60 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.90 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2ka7 s TYR 37 N -0.99 -0.08 -0.12 6.34 5.04 -0.96 -4.90 117.35 121.68 2ka7 s TYR 37 Ca 0.00 -0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.56 2ka7 s TYR 37 Cb 0.00 0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.44 2ka7 s TYR 37 CO 0.00 -0.46 0.22 0.08 -1.34 0.00 0.00 175.55 174.05 2ka7 s VAL 38 N -2.29 -0.34 0.32 3.14 1.01 -1.26 -2.25 120.40 118.72 2ka7 s VAL 38 Ca -0.07 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2ka7 s VAL 38 Cb -0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2ka7 s VAL 38 CO -0.02 0.09 1.24 -0.62 0.00 0.00 0.00 175.10 175.79 2ka7 s ASP 39 N 2.36 6.92 -0.03 3.32 2.15 0.60 -4.84 116.67 127.15 2ka7 s ASP 39 Ca 0.03 2.55 0.04 0.00 0.43 0.00 0.00 52.55 55.60 2ka7 s ASP 39 Cb -0.12 -2.64 -0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2ka7 s ASP 39 CO -0.08 -0.41 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.61 2ka7 s LEU 40 N -1.70 1.90 0.00 -1.34 1.43 -1.26 -3.99 118.68 113.71 2ka7 s LEU 40 Ca 0.48 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2ka7 s LEU 40 Cb -0.37 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.14 2ka7 s LEU 40 CO 0.49 0.13 0.36 -0.81 0.23 0.00 0.00 176.35 176.75 2ka7 n PRO 41 N 3.10 -0.60 -2.99 1.29 -0.04 -1.13 -4.96 135.00 129.66 2ka7 n PRO 41 Ca -0.17 -0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 62.44 2ka7 n PRO 41 Cb 0.54 -0.40 -0.02 0.00 -0.04 0.00 0.00 33.50 33.58 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 -3.79 3.66 0.00 0.54 8.01 -1.26 -4.97 118.70 120.89 2ka7 s GLU 42 Ca 0.21 0.21 0.00 0.00 0.01 0.00 0.00 54.97 55.40 2ka7 s GLU 42 Cb -0.01 -2.48 0.00 0.00 -4.31 0.00 0.00 34.13 27.33 2ka7 s GLU 42 CO 0.15 0.01 0.65 1.55 0.01 0.00 0.00 175.26 177.63 2ka7 n VAL 43 N -1.44 0.00 -1.76 2.63 3.14 -1.26 -1.88 118.33 117.76 2ka7 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ka7 n VAL 43 Cb 0.54 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.22 -0.01 3.66 7.55 0.00 -1.11 -3.81 105.19 111.69 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 4.15 0.30 1.61 3.52 -0.79 -4.73 118.95 123.02 2ka7 s ARG 45 Ca 0.00 2.22 -0.28 0.00 -0.13 0.00 0.00 55.73 57.55 2ka7 s ARG 45 Cb 0.00 -4.01 -0.09 0.00 -1.56 0.00 0.00 34.95 29.28 2ka7 s ARG 45 CO 0.00 -0.89 1.02 -1.21 -0.81 0.00 0.00 175.30 173.42 2ka7 s GLU 46 N 4.13 4.58 0.04 5.12 2.02 -1.26 -0.73 118.70 132.61 2ka7 s GLU 46 Ca 0.75 1.59 -0.01 0.00 0.02 0.00 0.00 54.97 57.32 2ka7 s GLU 46 Cb -0.34 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 2ka7 s GLU 46 CO 0.31 0.22 -0.02 0.14 0.02 0.00 0.00 175.26 175.93 2ka7 s VAL 47 N -1.35 0.19 0.43 2.63 -7.23 0.36 -4.93 120.40 110.51 2ka7 s VAL 47 Ca 0.47 -1.55 0.08 0.00 -1.81 0.00 0.00 61.98 59.17 2ka7 s VAL 47 Cb -0.26 -1.18 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 2ka7 s VAL 47 CO 0.33 -0.86 0.45 -0.54 -0.31 0.00 0.00 175.10 174.18 2ka7 s LYS 48 N -3.26 2.58 0.00 4.82 -0.14 -1.26 -1.14 119.74 121.33 2ka7 s LYS 48 Ca 0.01 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.12 2ka7 s LYS 48 Cb 0.03 -2.47 0.00 0.00 -1.68 0.00 0.00 37.83 33.71 2ka7 s LYS 48 CO -0.08 -0.28 0.22 0.36 -0.76 0.00 0.00 175.35 174.81 2ka7 n LYS 49 N -1.68 0.27 -0.88 1.68 2.85 -1.14 -2.02 118.16 117.25 2ka7 n LYS 49 Ca 0.05 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.29 2ka7 n LYS 49 Cb 0.61 -1.05 -0.03 0.00 -0.65 0.00 0.00 35.03 33.91 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 0.00 0.73 3.68 2.58 0.00 -1.06 -4.57 105.19 106.56 2ka7 n GLY 50 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2ka7 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka7 s GLU 51 N 0.00 4.36 -0.50 1.61 2.56 -0.85 -4.72 118.70 121.16 2ka7 s GLU 51 Ca 0.06 1.17 -0.27 0.00 0.00 0.00 0.00 54.97 55.93 2ka7 s GLU 51 Cb 0.06 -3.55 0.03 0.00 2.00 0.00 0.00 34.13 32.67 2ka7 s GLU 51 CO -0.03 -0.30 1.06 0.08 -0.56 0.00 0.00 175.26 175.51 2ka7 s VAL 52 N 2.01 4.28 0.00 3.70 1.01 -1.26 -0.73 120.40 129.41 2ka7 s VAL 52 Ca 0.43 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2ka7 s VAL 52 Cb -0.17 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2ka7 s VAL 52 CO 0.15 -1.02 0.46 1.33 0.00 0.00 0.00 175.10 176.02 2ka7 n VAL 53 N 6.63 0.03 -2.71 2.92 0.24 -1.19 -4.92 118.33 119.33 2ka7 n VAL 53 Ca 0.09 -0.03 -0.08 0.00 -2.04 0.00 0.00 64.34 62.28 2ka7 n VAL 53 Cb 0.49 1.10 0.11 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.02 1.09 -0.86 2.33 0.00 -1.26 -2.83 120.51 118.96 2ka7 n ALA 54 Ca 0.00 -1.48 -0.34 0.00 0.00 0.00 0.00 53.44 51.62 2ka7 n ALA 54 Cb 0.46 -1.02 0.10 0.00 0.00 0.00 0.00 19.45 18.99 2ka7 n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ka7 n SER 55 N -0.40 -3.42 -3.52 0.00 3.41 -1.26 -3.73 113.62 104.70 2ka7 n SER 55 Ca -0.00 0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.62 2ka7 n SER 55 Cb 0.82 -1.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka7 s ILE 56 N -2.24 -0.25 -0.56 -1.33 1.01 -0.23 -0.29 121.20 117.31 2ka7 s ILE 56 Ca 0.50 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 2ka7 s ILE 56 Cb -0.18 -0.70 0.14 0.00 0.01 0.00 0.00 42.46 41.74 2ka7 s ILE 56 CO 0.72 -0.29 0.51 -1.61 0.00 0.00 0.00 174.94 174.28 2ka7 s GLU 57 N 2.26 3.01 0.00 2.79 2.02 -0.95 -1.31 118.70 126.52 2ka7 s GLU 57 Ca 0.06 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2ka7 s GLU 57 Cb -0.16 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.79 2ka7 s GLU 57 CO -0.15 -1.31 0.00 -1.13 0.02 0.00 0.00 175.26 172.69 2ka7 n SER 58 N 5.08 0.00 -0.33 -0.19 3.41 -0.77 -2.26 113.62 118.57 2ka7 n SER 58 Ca -0.11 -0.32 0.25 0.00 -0.26 0.00 0.00 58.87 58.43 2ka7 n SER 58 Cb 0.41 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.25 0.12 0.00 -3.33 -1.51 -1.71 -3.37 116.25 106.21 2ka7 h VAL 59 Ca 0.00 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2ka7 h VAL 59 Cb 0.00 -0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.15 2ka7 h VAL 59 CO 0.00 0.02 -0.01 1.17 -1.23 0.00 0.00 177.57 177.52 2ka7 n LYS 60 N -5.23 0.00 -3.60 5.19 0.00 -1.26 -5.13 118.16 108.12 2ka7 n LYS 60 Ca 0.32 -0.03 -0.22 0.00 0.00 0.00 0.00 58.31 58.37 2ka7 n LYS 60 Cb 1.06 0.03 -0.01 0.00 0.00 0.00 0.00 35.03 36.10 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka7 s ALA 61 N 0.00 3.81 -0.38 3.14 0.00 -1.26 -5.08 121.76 121.99 2ka7 s ALA 61 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2ka7 s ALA 61 Cb 0.00 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.33 2ka7 s ALA 61 CO 0.00 0.07 0.29 0.00 0.00 0.00 0.00 175.76 176.12 2ka7 s ALA 62 N -2.19 1.09 -0.27 0.00 0.00 -1.24 -1.84 121.76 117.31 2ka7 s ALA 62 Ca 0.38 -2.12 -0.28 0.00 0.00 0.00 0.00 51.96 49.94 2ka7 s ALA 62 Cb -0.09 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.42 2ka7 s ALA 62 CO 0.33 -2.04 1.01 0.00 0.00 0.00 0.00 175.76 175.06 2ka7 s ALA 63 N 0.56 3.59 -0.40 0.00 0.00 -0.43 -4.88 121.76 120.20 2ka7 s ALA 63 Ca 0.26 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 2ka7 s ALA 63 Cb -0.09 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.50 2ka7 s ALA 63 CO -0.10 -1.22 1.28 -0.51 0.00 0.00 0.00 175.76 175.21 2ka7 s ASP 64 N 1.43 6.53 -0.27 0.00 1.01 -1.26 -1.07 116.67 123.05 2ka7 s ASP 64 Ca 0.42 0.80 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 2ka7 s ASP 64 Cb -0.14 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.26 2ka7 s ASP 64 CO 0.10 -1.27 1.10 -0.69 0.21 0.00 0.00 175.17 174.62 2ka7 s VAL 65 N 4.80 4.52 -0.58 -1.27 1.01 -1.24 -4.98 120.40 122.66 2ka7 s VAL 65 Ca 0.55 1.79 -0.15 0.00 0.00 0.00 0.00 61.98 64.17 2ka7 s VAL 65 Cb -0.12 -4.32 0.14 0.00 0.00 0.00 0.00 36.38 32.09 2ka7 s VAL 65 CO 0.29 -0.33 0.53 -0.31 0.00 0.00 0.00 175.10 175.28 2ka7 s TYR 66 N 3.52 3.33 0.11 5.22 2.02 -1.26 -3.15 117.35 127.14 2ka7 s TYR 66 Ca 0.47 -1.42 -0.33 0.00 -0.37 0.00 0.00 57.07 55.42 2ka7 s TYR 66 Cb -0.14 -3.79 -0.18 0.00 -0.40 0.00 0.00 41.96 37.45 2ka7 s TYR 66 CO 0.12 -1.01 0.75 0.00 -1.57 0.00 0.00 175.55 173.84 2ka7 n ALA 67 N 5.04 -3.19 0.07 3.71 0.00 0.09 -4.55 120.51 121.68 2ka7 n ALA 67 Ca -0.10 0.50 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 2ka7 n ALA 67 Cb 0.41 -1.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 1.85 0.51 -5.85 0.00 0.13 -1.82 -2.81 132.00 124.02 2ka7 h PRO 68 Ca -0.38 -0.59 -0.59 0.00 -0.87 0.00 0.00 66.00 63.58 2ka7 h PRO 68 Cb 1.42 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.59 2ka7 h PRO 68 CO 0.60 1.22 -0.68 -0.51 -0.23 0.00 0.00 178.00 178.39 2ka7 s LEU 69 N -7.80 2.66 0.26 1.56 2.01 -1.26 -4.61 118.68 111.49 2ka7 s LEU 69 Ca -0.07 -1.19 -0.30 0.00 0.01 0.00 0.00 54.13 52.59 2ka7 s LEU 69 Cb 0.08 -0.92 -0.09 0.00 0.01 0.00 0.00 46.19 45.26 2ka7 s LEU 69 CO 0.89 -0.22 1.29 -0.44 1.01 0.00 0.00 176.35 178.88 2ka7 s SER 70 N -3.56 6.89 0.00 2.29 0.01 -1.26 -2.90 113.70 115.17 2ka7 s SER 70 Ca 0.32 2.50 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2ka7 s SER 70 Cb 0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2ka7 s SER 70 CO 0.15 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2ka7 n GLY 71 N 1.65 -0.81 2.87 3.44 0.00 -0.29 -3.71 105.19 108.34 2ka7 n GLY 71 Ca 0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.49 0.69 0.52 1.61 2.20 -1.01 -0.48 119.74 122.77 2ka7 s LYS 72 Ca 0.00 -0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 2ka7 s LYS 72 Cb 0.00 -0.75 -0.06 0.00 -1.51 0.00 0.00 37.83 35.51 2ka7 s LYS 72 CO 0.00 -0.10 1.26 -0.89 -0.36 0.00 0.00 175.35 175.26 2ka7 n ILE 73 N 4.08 3.42 -1.12 5.43 2.08 0.09 -0.22 119.36 133.13 2ka7 n ILE 73 Ca -0.25 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.56 2ka7 n ILE 73 Cb 0.51 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 2ka7 n ILE 73 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2ka7 n VAL 74 N -0.91 0.00 -3.64 1.39 0.24 -0.23 -2.76 118.33 112.42 2ka7 n VAL 74 Ca 0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.26 2ka7 n VAL 74 Cb 0.43 1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 33.95 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 0.94 0.05 7.34 2.12 -1.00 -4.95 118.70 123.21 2ka7 s GLU 75 Ca 0.00 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2ka7 s GLU 75 Cb 0.00 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 2ka7 s GLU 75 CO 0.00 -0.32 -0.09 0.14 -0.54 0.00 0.00 175.26 174.45 2ka7 s VAL 76 N -2.23 0.69 -1.02 3.70 -7.23 -1.26 -0.55 120.40 112.50 2ka7 s VAL 76 Ca -0.07 -1.17 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 2ka7 s VAL 76 Cb -0.01 -0.76 0.17 0.00 0.56 0.00 0.00 36.38 36.34 2ka7 s VAL 76 CO -0.00 -0.36 1.17 0.21 -0.31 0.00 0.00 175.10 175.80 2ka7 s ASN 77 N -1.67 6.87 0.41 4.85 2.47 -0.04 -4.86 114.94 122.97 2ka7 s ASN 77 Ca -0.07 -2.63 0.28 0.00 0.42 0.00 0.00 52.86 50.86 2ka7 s ASN 77 Cb -0.09 -2.35 1.47 0.00 -1.45 0.00 0.00 41.25 38.82 2ka7 s ASN 77 CO 0.01 -0.79 1.86 -0.33 -3.72 0.00 0.00 177.10 174.12 2ka7 h GLU 78 N 7.88 0.00 -0.94 0.43 5.08 -1.95 -0.44 114.58 124.63 2ka7 h GLU 78 Ca 0.20 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.77 2ka7 h GLU 78 Cb 0.96 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 2ka7 h GLU 78 CO 1.08 0.00 0.61 0.87 -1.00 0.00 0.00 179.01 180.57 2ka7 h LYS 79 N 0.00 0.49 0.00 2.33 1.79 -1.94 -2.15 116.57 117.09 2ka7 h LYS 79 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2ka7 h LYS 79 Cb 0.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2ka7 h LYS 79 CO 0.00 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 179.97 2ka7 n LEU 80 N -4.58 0.07 -0.13 2.94 7.99 -0.17 -0.60 117.00 122.52 2ka7 n LEU 80 Ca 0.21 0.51 -0.12 0.00 -0.01 0.00 0.00 56.01 56.60 2ka7 n LEU 80 Cb 0.68 -0.50 -0.02 0.00 -0.11 0.00 0.00 43.42 43.47 2ka7 n LEU 80 CO 0.28 -0.21 0.67 -0.78 -1.51 0.00 0.00 177.39 175.84 2ka7 h ASP 81 N 0.00 0.80 0.05 -1.43 1.82 -1.59 -2.97 116.42 113.11 2ka7 h ASP 81 Ca 0.00 -0.40 -0.38 0.00 -0.39 0.00 0.00 57.03 55.86 2ka7 h ASP 81 Cb 0.33 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.07 2ka7 h ASP 81 CO 0.00 1.03 -2.24 0.35 -1.61 0.00 0.00 179.24 176.77 2ka7 n THR 82 N -4.28 1.61 -3.50 2.25 -2.24 -0.73 -4.57 114.28 102.82 2ka7 n THR 82 Ca -0.02 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 2ka7 n THR 82 Cb 0.41 -1.60 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 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 -3.46 2.54 -0.06 -0.78 1.02 0.23 -4.90 120.64 115.23 2ka7 n GLU 83 Ca -0.40 -4.63 -0.13 0.00 -0.02 0.00 0.00 57.16 51.98 2ka7 n GLU 83 Cb 0.99 -2.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ka7 h PRO 84 N 4.59 0.79 0.00 3.49 0.13 -1.72 -3.26 132.00 136.02 2ka7 h PRO 84 Ca 0.19 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ka7 h PRO 84 Cb 0.68 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2ka7 h PRO 84 CO 0.85 1.12 0.00 -1.91 -0.23 0.00 0.00 178.00 177.83 2ka7 n GLU 85 N -4.00 0.10 0.33 0.86 0.00 -1.26 -2.74 120.64 113.94 2ka7 n GLU 85 Ca -0.04 0.60 0.21 0.00 0.00 0.00 0.00 57.16 57.93 2ka7 n GLU 85 Cb 0.62 -1.83 1.12 0.00 0.00 0.00 0.00 31.44 31.35 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2ka7 h LEU 86 N 0.00 0.00 -1.92 4.31 3.38 -1.94 0.26 115.31 119.40 2ka7 h LEU 86 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ka7 h LEU 86 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ka7 h LEU 86 CO 0.00 0.00 -0.12 0.40 0.09 0.00 0.00 178.44 178.81 2ka7 h ILE 87 N 0.00 0.71 0.68 1.22 2.04 -1.76 0.46 117.51 120.86 2ka7 h ILE 87 Ca 0.00 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2ka7 h ILE 87 Cb 0.14 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2ka7 h ILE 87 CO 0.00 0.12 -0.33 0.78 0.00 0.00 0.00 178.15 178.72 2ka7 h ASN 88 N 0.00 -0.77 0.45 1.72 2.35 -0.75 -3.27 115.58 115.30 2ka7 h ASN 88 Ca -0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2ka7 h ASN 88 Cb 0.29 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2ka7 h ASN 88 CO 0.02 -0.51 -0.21 0.11 -1.65 0.00 0.00 177.43 175.18 2ka7 h LYS 89 N -0.98 -0.58 -2.04 0.81 1.79 -1.45 -3.40 116.57 110.72 2ka7 h LYS 89 Ca -0.09 0.04 -0.50 0.00 -2.18 0.00 0.00 60.65 57.91 2ka7 h LYS 89 Cb 0.72 0.13 -0.40 0.00 -1.58 0.00 0.00 32.23 31.10 2ka7 h LYS 89 CO 0.15 -0.39 -1.11 -0.25 -1.08 0.00 0.00 179.45 176.78 2ka7 n ASP 90 N -4.04 1.36 0.18 0.86 8.00 0.08 -4.97 116.55 118.03 2ka7 n ASP 90 Ca -0.07 -3.10 0.13 0.00 0.71 0.00 0.00 54.79 52.46 2ka7 n ASP 90 Cb 0.24 -0.61 0.66 0.00 -0.02 0.00 0.00 41.12 41.38 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2ka7 h PRO 91 N 3.06 0.00 0.00 -0.24 0.13 -1.66 -0.40 132.00 132.89 2ka7 h PRO 91 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2ka7 h PRO 91 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2ka7 h PRO 91 CO 0.55 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.47 2ka7 n GLU 92 N -2.37 1.47 0.00 0.86 -0.00 -1.26 -4.24 120.64 115.11 2ka7 n GLU 92 Ca -0.01 -1.02 0.00 0.00 -0.00 0.00 0.00 57.16 56.13 2ka7 n GLU 92 Cb 0.06 -0.86 0.00 0.00 -0.00 0.00 0.00 31.44 30.64 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ka7 n GLY 93 N -0.27 0.82 0.17 -1.84 0.00 -0.70 -4.97 105.19 98.39 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 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 94 N 0.00 0.00 -1.17 1.61 4.39 -1.86 -3.32 114.58 114.22 2ka7 h GLU 94 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2ka7 h GLU 94 Cb 0.00 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.53 2ka7 h GLU 94 CO 0.00 0.02 0.29 0.41 -1.16 0.00 0.00 179.01 178.57 2ka7 n GLY 95 N 1.14 3.24 3.72 -3.84 0.00 -0.24 -4.93 105.19 104.28 2ka7 n GLY 95 Ca 0.02 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.38 2.11 -0.09 1.61 1.48 -1.25 -4.58 118.94 116.84 2ka7 s TRP 96 Ca 0.24 1.63 -0.11 0.00 -1.06 0.00 0.00 56.10 56.80 2ka7 s TRP 96 Cb 0.20 -3.18 -0.04 0.00 -1.16 0.00 0.00 33.47 29.28 2ka7 s TRP 96 CO 0.03 -2.34 -0.21 1.28 -4.06 0.00 0.00 176.95 171.65 2ka7 n LEU 97 N -3.90 1.40 -4.14 -4.66 4.77 -0.55 -4.69 117.00 105.23 2ka7 n LEU 97 Ca 0.10 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 2ka7 n LEU 97 Cb 0.53 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2ka7 n LEU 97 CO 0.52 -0.41 -0.20 0.72 -1.33 0.00 0.00 177.39 176.69 2ka7 s PHE 98 N -2.36 0.89 0.13 -1.77 -0.12 -1.21 -0.86 117.98 112.68 2ka7 s PHE 98 Ca -0.18 -1.20 0.10 0.00 -0.05 0.00 0.00 56.93 55.60 2ka7 s PHE 98 Cb 0.02 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2ka7 s PHE 98 CO 0.26 -0.63 -0.21 0.15 -0.05 0.00 0.00 175.22 174.75 2ka7 s LYS 99 N -4.08 1.67 -0.07 1.99 1.02 0.29 -1.25 119.74 119.31 2ka7 s LYS 99 Ca 0.29 -1.26 -0.07 0.00 0.02 0.00 0.00 55.97 54.96 2ka7 s LYS 99 Cb 0.06 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2ka7 s LYS 99 CO 0.06 0.46 0.19 0.00 -0.92 0.00 0.00 175.35 175.15 2ka7 s MET 100 N -2.20 0.24 0.01 1.68 0.23 -0.57 -1.07 119.30 117.63 2ka7 s MET 100 Ca 0.17 0.22 -0.30 0.00 -1.03 0.00 0.00 55.69 54.76 2ka7 s MET 100 Cb -0.10 0.12 -0.07 0.00 -1.53 0.00 0.00 34.83 33.24 2ka7 s MET 100 CO 0.09 -0.03 1.76 -2.00 -2.03 0.00 0.00 175.02 172.81 2ka7 s GLU 101 N -0.00 4.17 -0.68 3.16 2.12 0.70 -0.83 118.70 127.34 2ka7 s GLU 101 Ca -0.01 2.38 -0.26 0.00 0.36 0.00 0.00 54.97 57.43 2ka7 s GLU 101 Cb -0.02 -3.93 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 2ka7 s GLU 101 CO 0.00 -0.85 1.78 0.96 -0.54 0.00 0.00 175.26 176.61 2ka7 s ILE 102 N 3.76 3.43 -1.00 -3.70 -4.36 -0.01 -2.41 121.20 116.91 2ka7 s ILE 102 Ca 0.79 0.13 0.22 0.00 -0.26 0.00 0.00 60.65 61.53 2ka7 s ILE 102 Cb -0.38 -4.12 0.19 0.00 1.25 0.00 0.00 42.46 39.39 2ka7 s ILE 102 CO 0.34 -1.08 1.72 -1.20 0.24 0.00 0.00 174.94 174.96 2ka7 n SER 103 N 12.34 0.00 -3.32 4.36 7.64 -1.24 -4.47 113.62 128.93 2ka7 n SER 103 Ca 0.21 0.50 -0.11 0.00 1.01 0.00 0.00 58.87 60.48 2ka7 n SER 103 Cb 0.51 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 2ka7 n SER 103 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ka7 s ASP 104 N -3.01 0.47 0.00 6.43 1.11 -1.26 -5.01 116.67 115.40 2ka7 s ASP 104 Ca 0.11 -0.89 0.17 0.00 0.18 0.00 0.00 52.55 52.12 2ka7 s ASP 104 Cb 0.15 1.00 0.79 0.00 1.07 0.00 0.00 42.92 45.92 2ka7 s ASP 104 CO 0.41 -0.30 1.55 1.21 1.18 0.00 0.00 175.17 179.22 2ka7 n GLU 105 N 4.82 0.08 -0.26 8.23 2.13 -1.26 -2.55 120.64 131.83 2ka7 n GLU 105 Ca 0.06 0.18 -0.07 0.00 0.66 0.00 0.00 57.16 57.99 2ka7 n GLU 105 Cb 0.49 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.75 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 2.95 1.21 2.00 8.31 0.00 -1.98 -2.87 103.07 112.70 2ka7 h GLY 106 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2ka7 h GLY 106 CO 0.00 0.66 0.00 1.18 0.00 0.00 0.00 176.54 178.38 2ka7 n GLU 107 N -4.28 0.00 0.29 4.80 -0.58 -1.06 -1.88 120.64 117.94 2ka7 n GLU 107 Ca 0.06 0.32 0.19 0.00 -0.42 0.00 0.00 57.16 57.31 2ka7 n GLU 107 Cb 0.22 -1.50 0.84 0.00 -0.57 0.00 0.00 31.44 30.43 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2ka7 h LEU 108 N 0.00 0.00 -0.92 -4.62 3.38 -1.67 -1.87 115.31 109.60 2ka7 h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ka7 h LEU 108 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ka7 h LEU 108 CO 0.00 0.01 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 2ka7 h GLU 109 N 0.00 0.00 0.00 1.13 4.39 -1.59 -2.82 114.58 115.69 2ka7 h GLU 109 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ka7 h GLU 109 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2ka7 h GLU 109 CO 0.00 0.00 0.00 0.22 -1.16 0.00 0.00 179.01 178.07 2ka7 h ASP 110 N 0.00 0.00 -3.97 1.42 3.58 -1.54 -3.45 116.42 112.46 2ka7 h ASP 110 Ca 0.00 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.01 2ka7 h ASP 110 Cb 0.55 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.76 2ka7 h ASP 110 CO 0.00 0.00 0.30 -0.76 -2.88 0.00 0.00 179.24 175.90 2ka7 s LEU 111 N -6.15 1.91 0.08 2.28 1.43 -1.07 -5.06 118.68 112.11 2ka7 s LEU 111 Ca 0.07 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2ka7 s LEU 111 Cb 0.06 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2ka7 s LEU 111 CO 0.66 -3.04 0.05 -0.76 0.23 0.00 0.00 176.35 173.49 2ka7 s LEU 112 N -6.22 3.70 1.03 1.79 1.43 0.09 -4.90 118.68 115.60 2ka7 s LEU 112 Ca 0.69 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 2ka7 s LEU 112 Cb -0.09 -2.38 0.21 0.00 0.03 0.00 0.00 46.19 43.95 2ka7 s LEU 112 CO 0.54 0.18 1.08 -1.81 0.23 0.00 0.00 176.35 176.57 2ka7 s ASP 113 N -2.31 2.32 0.01 2.29 1.11 -1.26 -0.78 116.67 118.04 2ka7 s ASP 113 Ca 0.28 1.28 -0.25 0.00 0.18 0.00 0.00 52.55 54.04 2ka7 s ASP 113 Cb -0.12 -1.97 -0.18 0.00 1.07 0.00 0.00 42.92 41.72 2ka7 s ASP 113 CO 0.20 -3.34 1.38 -0.08 1.18 0.00 0.00 175.17 174.51 2ka7 h GLU 114 N -2.03 0.04 -0.80 8.23 4.81 -1.96 0.96 114.58 123.82 2ka7 h GLU 114 Ca -0.56 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2ka7 h GLU 114 Cb 1.33 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2ka7 h GLU 114 CO 0.56 0.41 0.50 0.37 -0.73 0.00 0.00 179.01 180.12 2ka7 h GLN 115 N -0.34 1.07 -0.41 1.92 4.15 -1.99 0.12 115.11 119.64 2ka7 h GLN 115 Ca 0.00 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 2ka7 h GLN 115 Cb 0.40 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2ka7 h GLN 115 CO 0.00 0.74 -0.15 0.00 -1.93 0.00 0.00 178.83 177.49 2ka7 h ALA 116 N 1.27 0.96 -0.51 3.38 0.00 -1.90 -0.49 119.26 121.97 2ka7 h ALA 116 Ca 0.29 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2ka7 h ALA 116 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2ka7 h ALA 116 CO -0.06 0.61 -0.11 -0.92 0.00 0.00 0.00 179.25 178.77 2ka7 h TYR 117 N 0.68 1.07 -0.28 0.00 3.20 -0.34 -1.73 116.97 119.58 2ka7 h TYR 117 Ca 0.11 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.78 2ka7 h TYR 117 Cb 0.64 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2ka7 h TYR 117 CO 0.03 1.01 0.15 0.37 -1.64 0.00 0.00 178.16 178.07 2ka7 h GLN 118 N 0.86 0.30 0.00 1.82 4.15 -0.56 -2.19 115.11 119.48 2ka7 h GLN 118 Ca 0.13 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 2ka7 h GLN 118 Cb 0.66 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2ka7 h GLN 118 CO 0.05 0.20 -0.25 1.49 -1.93 0.00 0.00 178.83 178.38 2ka7 h GLU 119 N 0.30 0.00 0.00 1.69 4.81 -0.97 0.24 114.58 120.65 2ka7 h GLU 119 Ca 0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2ka7 h GLU 119 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ka7 h GLU 119 CO -0.07 0.25 -0.21 0.35 -0.73 0.00 0.00 179.01 178.60 2ka7 h PHE 120 N 0.00 0.00 -0.09 0.92 3.57 -0.89 -0.82 116.94 119.64 2ka7 h PHE 120 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2ka7 h PHE 120 Cb 0.60 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2ka7 h PHE 120 CO 0.00 0.21 -0.01 0.00 -2.23 0.00 0.00 178.31 176.28 2ka7 h ALA 122 N 0.70 1.05 0.00 0.00 0.00 -0.67 0.49 119.26 120.83 2ka7 h ALA 122 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ka7 h ALA 122 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ka7 h ALA 122 CO 0.01 0.01 -0.29 1.96 0.00 0.00 0.00 179.25 180.93 2ka7 h GLN 123 N 0.00 0.00 0.00 0.00 1.08 -1.12 -3.51 115.11 111.56 2ka7 h GLN 123 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ka7 h GLN 123 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2ka7 h GLN 123 CO 0.00 0.00 0.00 -1.91 -0.95 0.00 0.00 178.83 175.97