#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 -0.99 -3.92 0.03 4.81 0.05 -4.89 118.16 113.25 2ka7 n LYS 2 Ca 0.00 0.67 -0.10 0.00 -0.87 0.00 0.00 58.31 58.01 2ka7 n LYS 2 Cb 0.00 -1.11 -0.10 0.00 0.02 0.00 0.00 35.03 33.84 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 -1.94 0.43 -0.17 1.64 1.75 0.18 -4.97 119.30 116.22 2ka7 s MET 3 Ca 0.16 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 2ka7 s MET 3 Cb -0.02 0.17 0.06 0.00 2.84 0.00 0.00 34.83 37.88 2ka7 s MET 3 CO 0.48 -0.09 0.07 0.21 -0.65 0.00 0.00 175.02 175.04 2ka7 s LYS 4 N -1.55 0.23 0.56 4.11 2.36 -1.26 -0.57 119.74 123.62 2ka7 s LYS 4 Ca -0.14 -0.16 0.04 0.00 -2.55 0.00 0.00 55.97 53.16 2ka7 s LYS 4 Cb -0.08 -1.85 0.04 0.00 -1.05 0.00 0.00 37.83 34.90 2ka7 s LYS 4 CO 0.00 -0.64 0.36 1.63 1.55 0.00 0.00 175.35 178.24 2ka7 n LYS 5 N 5.21 0.67 -4.11 4.03 5.02 -1.23 -4.87 118.16 122.88 2ka7 n LYS 5 Ca -0.07 -3.57 -0.09 0.00 -2.02 0.00 0.00 58.31 52.56 2ka7 n LYS 5 Cb 0.49 0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 35.87 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 -2.81 0.71 0.54 2.13 1.51 -1.08 -1.05 117.35 117.30 2ka7 s TYR 6 Ca 0.27 -1.14 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 2ka7 s TYR 6 Cb -0.02 -0.42 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2ka7 s TYR 6 CO 0.17 -0.49 0.22 0.25 -1.11 0.00 0.00 175.55 174.59 2ka7 n THR 7 N -0.04 0.00 0.28 -0.71 -2.24 -1.06 -1.92 114.28 108.59 2ka7 n THR 7 Ca -0.08 -2.32 0.14 0.00 -2.27 0.00 0.00 64.05 59.52 2ka7 n THR 7 Cb 0.63 0.22 0.80 0.00 -2.10 0.00 0.00 70.33 69.88 2ka7 n THR 7 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2ka7 h LYS 8 N 0.00 0.00 -0.95 -0.78 2.10 -2.00 -3.34 116.57 111.60 2ka7 h LYS 8 Ca -0.39 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.22 2ka7 h LYS 8 Cb 1.29 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.60 2ka7 h LYS 8 CO 0.63 0.08 0.05 0.25 -2.00 0.00 0.00 179.45 178.46 2ka7 n THR 9 N -3.64 0.92 -3.62 0.07 -2.24 -1.26 -4.82 114.28 99.68 2ka7 n THR 9 Ca -0.02 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 2ka7 n THR 9 Cb 0.19 -0.63 0.04 0.00 -2.10 0.00 0.00 70.33 67.83 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 0.14 -2.00 -3.96 4.78 8.25 -1.25 -4.84 115.22 116.34 2ka7 n HIS 10 Ca 0.08 0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 58.11 2ka7 n HIS 10 Cb 0.56 -3.87 -0.11 0.00 1.12 0.00 0.00 29.99 27.69 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2ka7 s GLU 11 N -5.71 0.28 0.12 -0.41 2.02 -1.26 -0.52 118.70 113.23 2ka7 s GLU 11 Ca 0.30 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 54.83 2ka7 s GLU 11 Cb -0.09 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 2ka7 s GLU 11 CO 0.83 -0.05 -0.16 1.67 0.02 0.00 0.00 175.26 177.57 2ka7 s TRP 12 N -1.29 1.52 0.14 1.61 1.48 -0.10 -2.55 118.94 119.74 2ka7 s TRP 12 Ca -0.14 -0.51 0.09 0.00 -1.06 0.00 0.00 56.10 54.48 2ka7 s TRP 12 Cb -0.09 -0.80 -0.04 0.00 -1.16 0.00 0.00 33.47 31.38 2ka7 s TRP 12 CO -0.01 0.18 -0.17 0.08 -4.06 0.00 0.00 176.95 172.98 2ka7 s VAL 13 N -1.88 2.88 -0.40 -0.66 1.01 -0.21 -2.10 120.40 119.04 2ka7 s VAL 13 Ca 0.09 -1.58 0.07 0.00 0.00 0.00 0.00 61.98 60.55 2ka7 s VAL 13 Cb -0.06 -2.35 0.23 0.00 0.00 0.00 0.00 36.38 34.19 2ka7 s VAL 13 CO 0.04 0.03 0.50 -1.20 0.00 0.00 0.00 175.10 174.48 2ka7 n SER 14 N 0.57 -0.20 -4.73 3.32 7.64 0.44 -3.55 113.62 117.11 2ka7 n SER 14 Ca -0.14 -2.66 -0.41 0.00 1.01 0.00 0.00 58.87 56.67 2ka7 n SER 14 Cb 0.54 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 2ka7 n SER 14 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 15 N -0.78 3.34 0.14 0.44 1.09 0.27 -1.30 121.20 124.40 2ka7 s ILE 15 Ca 0.34 1.10 0.00 0.00 -1.10 0.00 0.00 60.65 60.99 2ka7 s ILE 15 Cb 0.14 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 2ka7 s ILE 15 CO -0.14 0.16 0.00 -1.84 -0.10 0.00 0.00 174.94 173.02 2ka7 n GLU 16 N 2.73 0.00 0.00 2.79 0.28 -1.02 -0.65 120.64 124.77 2ka7 n GLU 16 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2ka7 n GLU 16 Cb 0.43 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.00 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 -3.36 0.00 0.00 -1.84 2.03 -1.26 -0.77 116.55 111.35 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 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.50 0.51 -4.71 -0.67 5.02 -1.26 -4.74 118.16 110.81 2ka7 n LYS 18 Ca 0.00 -0.70 -0.24 0.00 -2.02 0.00 0.00 58.31 55.35 2ka7 n LYS 18 Cb 0.00 -0.83 -0.16 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.29 1.25 -0.04 -0.18 1.01 -1.26 -1.28 120.40 119.60 2ka7 s VAL 19 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2ka7 s VAL 19 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2ka7 s VAL 19 CO 0.00 0.36 0.23 0.00 0.00 0.00 0.00 175.10 175.70 2ka7 s ALA 20 N 0.06 3.85 0.42 5.51 0.00 -0.07 -2.44 121.76 129.10 2ka7 s ALA 20 Ca -0.03 -0.57 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 2ka7 s ALA 20 Cb -0.10 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 2ka7 s ALA 20 CO 0.02 0.62 1.03 0.99 0.00 0.00 0.00 175.76 178.42 2ka7 s THR 21 N -1.17 3.83 -0.11 0.00 2.01 -0.42 -0.93 115.64 118.86 2ka7 s THR 21 Ca 0.22 1.30 0.02 0.00 0.31 0.00 0.00 61.69 63.54 2ka7 s THR 21 Cb -0.13 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2ka7 s THR 21 CO 0.11 -0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.07 2ka7 s VAL 22 N -1.80 2.54 0.26 3.82 1.01 -0.14 -0.42 120.40 125.67 2ka7 s VAL 22 Ca 0.61 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2ka7 s VAL 22 Cb -0.19 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2ka7 s VAL 22 CO 0.24 0.54 0.36 -0.83 0.00 0.00 0.00 175.10 175.40 2ka7 s GLY 23 N 0.31 1.17 0.26 4.51 0.00 -0.89 -1.58 107.32 111.11 2ka7 s GLY 23 Ca -0.14 -1.37 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 2ka7 s GLY 23 CO 0.07 -1.02 0.55 -0.26 0.00 0.00 0.00 173.10 172.45 2ka7 s ILE 24 N -3.79 4.99 0.78 0.90 -4.36 -1.26 -0.93 121.20 117.53 2ka7 s ILE 24 Ca 0.31 0.24 -0.10 0.00 -0.26 0.00 0.00 60.65 60.84 2ka7 s ILE 24 Cb 0.02 -3.68 0.08 0.00 1.25 0.00 0.00 42.46 40.13 2ka7 s ILE 24 CO 0.14 -0.21 1.13 0.42 0.24 0.00 0.00 174.94 176.66 2ka7 s THR 25 N -1.96 2.10 0.50 8.37 -4.23 0.33 -4.27 115.64 116.47 2ka7 s THR 25 Ca 0.45 -0.11 0.37 0.00 -1.18 0.00 0.00 61.69 61.22 2ka7 s THR 25 Cb -0.11 -2.99 0.39 0.00 1.34 0.00 0.00 72.50 71.13 2ka7 s THR 25 CO 0.26 0.00 2.22 -1.13 -0.54 0.00 0.00 174.62 175.43 2ka7 h ASN 26 N -0.93 0.00 0.08 3.99 -1.24 -1.90 -0.45 115.58 115.14 2ka7 h ASN 26 Ca -0.45 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.54 2ka7 h ASN 26 Cb 1.32 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.36 2ka7 h ASN 26 CO 0.61 0.03 -0.08 -0.74 -1.29 0.00 0.00 177.43 175.96 2ka7 h HIS 27 N 0.00 0.00 -0.09 0.67 2.76 -1.93 -2.99 115.15 113.57 2ka7 h HIS 27 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2ka7 h HIS 27 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2ka7 h HIS 27 CO 0.00 0.08 -0.26 0.00 -1.30 0.00 0.00 177.93 176.45 2ka7 h ALA 28 N 1.92 0.15 0.00 5.26 0.00 -1.33 -3.14 119.26 122.12 2ka7 h ALA 28 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2ka7 h ALA 28 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ka7 h ALA 28 CO 0.01 0.15 -0.10 -0.56 0.00 0.00 0.00 179.25 178.74 2ka7 h GLN 29 N -0.15 0.00 -0.12 0.00 -0.00 -1.62 -2.79 115.11 110.44 2ka7 h GLN 29 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2ka7 h GLN 29 Cb 0.88 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.35 2ka7 h GLN 29 CO 0.06 0.10 -0.03 1.49 -0.00 0.00 0.00 178.83 180.45 2ka7 h GLU 30 N 0.00 0.22 0.12 0.06 4.81 -1.48 -0.69 114.58 117.63 2ka7 h GLU 30 Ca -0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2ka7 h GLU 30 Cb 0.33 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2ka7 h GLU 30 CO 0.01 0.53 -0.06 1.96 -0.73 0.00 0.00 179.01 180.72 2ka7 h GLN 31 N -0.10 -0.16 -0.05 1.92 1.08 -1.48 -3.32 115.11 113.01 2ka7 h GLN 31 Ca 0.03 0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.08 2ka7 h GLN 31 Cb 0.45 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2ka7 h GLN 31 CO 0.01 0.29 -0.68 -0.07 -0.95 0.00 0.00 178.83 177.43 2ka7 h LEU 32 N -0.70 0.29 0.00 1.46 3.38 -1.59 -3.49 115.31 114.67 2ka7 h LEU 32 Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ka7 h LEU 32 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ka7 h LEU 32 CO 0.03 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2ka7 n GLY 33 N 0.45 1.12 3.74 0.83 0.00 -0.26 -4.72 105.19 106.35 2ka7 n GLY 33 Ca -0.03 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 5.02 0.00 1.61 1.11 -1.26 -4.82 116.67 114.32 2ka7 s ASP 34 Ca 0.00 2.72 0.00 0.00 0.18 0.00 0.00 52.55 55.45 2ka7 s ASP 34 Cb 0.00 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2ka7 s ASP 34 CO 0.00 -1.74 0.00 0.52 1.18 0.00 0.00 175.17 175.13 2ka7 n VAL 35 N -1.35 0.00 0.00 -1.27 0.31 -1.26 -3.70 118.33 111.05 2ka7 n VAL 35 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2ka7 n VAL 35 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2ka7 n VAL 35 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 36 N 0.00 0.00 -3.74 2.52 0.24 -1.25 -4.24 118.33 111.85 2ka7 n VAL 36 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2ka7 n VAL 36 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.00 -0.13 -0.06 6.34 5.04 -0.55 -4.84 117.35 123.15 2ka7 s TYR 37 Ca 0.00 0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.63 2ka7 s TYR 37 Cb 0.00 0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2ka7 s TYR 37 CO 0.00 -0.51 0.13 0.14 -1.34 0.00 0.00 175.55 173.97 2ka7 s VAL 38 N -2.46 -0.04 0.30 3.14 -7.23 -1.26 -2.26 120.40 110.59 2ka7 s VAL 38 Ca -0.06 0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 2ka7 s VAL 38 Cb -0.01 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.63 2ka7 s VAL 38 CO -0.03 0.07 0.76 -0.62 -0.31 0.00 0.00 175.10 174.97 2ka7 s ASP 39 N 1.02 6.92 -0.00 4.85 2.15 0.62 -4.83 116.67 127.40 2ka7 s ASP 39 Ca -0.08 1.40 -0.07 0.00 0.43 0.00 0.00 52.55 54.23 2ka7 s ASP 39 Cb -0.10 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2ka7 s ASP 39 CO -0.05 -0.13 0.14 -0.76 -0.17 0.00 0.00 175.17 174.20 2ka7 s LEU 40 N -2.60 1.55 1.10 -1.34 2.01 -1.25 -3.87 118.68 114.28 2ka7 s LEU 40 Ca 0.51 -0.16 -0.19 0.00 0.01 0.00 0.00 54.13 54.31 2ka7 s LEU 40 Cb -0.13 0.65 0.26 0.00 0.01 0.00 0.00 46.19 46.99 2ka7 s LEU 40 CO 0.19 -0.34 1.27 -2.16 1.01 0.00 0.00 176.35 176.31 2ka7 s PRO 41 N -1.23 -0.44 0.29 1.29 0.04 -1.12 -4.94 135.00 128.88 2ka7 s PRO 41 Ca -0.13 -0.42 -0.09 0.00 0.04 0.00 0.00 61.00 60.40 2ka7 s PRO 41 Cb -0.07 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2ka7 s PRO 41 CO 0.01 -3.14 0.62 -2.00 0.04 0.00 0.00 177.00 172.53 2ka7 s GLU 42 N -5.80 3.78 0.00 4.56 2.12 -1.26 -4.94 118.70 117.17 2ka7 s GLU 42 Ca 0.75 0.30 0.00 0.00 0.36 0.00 0.00 54.97 56.38 2ka7 s GLU 42 Cb -0.04 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2ka7 s GLU 42 CO 0.55 0.20 0.54 1.55 -0.54 0.00 0.00 175.26 177.56 2ka7 n VAL 43 N -0.58 0.00 -1.41 3.70 3.14 -1.26 -1.66 118.33 120.26 2ka7 n VAL 43 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2ka7 n VAL 43 Cb 0.53 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 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 0.12 -1.38 3.71 7.55 0.00 -1.10 -3.93 105.19 110.15 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 4.32 0.52 1.61 3.52 -0.66 -4.81 118.95 123.45 2ka7 s ARG 45 Ca 0.00 2.01 -0.17 0.00 -0.13 0.00 0.00 55.73 57.44 2ka7 s ARG 45 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2ka7 s ARG 45 CO 0.00 -0.45 1.00 -1.21 -0.81 0.00 0.00 175.30 173.82 2ka7 s GLU 46 N 1.46 3.87 0.22 5.12 2.02 -1.26 -0.57 118.70 129.56 2ka7 s GLU 46 Ca 0.64 1.03 -0.03 0.00 0.02 0.00 0.00 54.97 56.63 2ka7 s GLU 46 Cb -0.34 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 2ka7 s GLU 46 CO 0.29 -0.34 0.23 0.14 0.02 0.00 0.00 175.26 175.60 2ka7 s VAL 47 N -2.52 0.00 0.33 2.63 -7.23 0.18 -4.89 120.40 108.90 2ka7 s VAL 47 Ca 0.60 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.00 2ka7 s VAL 47 Cb -0.11 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 2ka7 s VAL 47 CO 0.30 0.00 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.49 2ka7 s LYS 48 N -4.04 1.74 0.00 4.82 -0.14 -1.26 -1.71 119.74 119.14 2ka7 s LYS 48 Ca 0.35 -1.92 0.01 0.00 -1.36 0.00 0.00 55.97 53.05 2ka7 s LYS 48 Cb 0.05 -1.44 0.04 0.00 -1.68 0.00 0.00 37.83 34.80 2ka7 s LYS 48 CO 0.13 0.04 0.23 0.36 -0.76 0.00 0.00 175.35 175.35 2ka7 n LYS 49 N -0.75 0.11 -2.88 1.68 2.85 -1.21 -2.67 118.16 115.29 2ka7 n LYS 49 Ca -0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.11 2ka7 n LYS 49 Cb 0.64 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 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 -0.48 0.33 2.79 2.58 0.00 -0.99 -4.47 105.19 104.95 2ka7 n GLY 50 Ca 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 0.50 0.87 -0.86 1.61 0.41 -1.09 -4.84 118.70 115.29 2ka7 s GLU 51 Ca 0.32 -0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 54.33 2ka7 s GLU 51 Cb 0.10 -1.76 -0.00 0.00 -1.78 0.00 0.00 34.13 30.69 2ka7 s GLU 51 CO -0.14 -0.48 1.68 0.54 -0.49 0.00 0.00 175.26 176.36 2ka7 s VAL 52 N 1.82 3.62 -0.54 2.63 0.11 -1.26 -0.27 120.40 126.51 2ka7 s VAL 52 Ca 0.01 -0.27 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2ka7 s VAL 52 Cb -0.15 -4.46 0.01 0.00 -1.53 0.00 0.00 36.38 30.25 2ka7 s VAL 52 CO -0.07 -1.39 0.52 1.33 -3.33 0.00 0.00 175.10 172.16 2ka7 n VAL 53 N 7.23 0.00 -2.80 2.04 0.24 -1.22 -4.81 118.33 119.01 2ka7 n VAL 53 Ca 0.29 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 62.02 2ka7 n VAL 53 Cb 0.49 1.08 0.04 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.18 2.37 -1.15 2.33 0.00 -1.25 -2.79 120.51 119.84 2ka7 n ALA 54 Ca 0.02 -2.75 -0.35 0.00 0.00 0.00 0.00 53.44 50.37 2ka7 n ALA 54 Cb 0.12 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.04 -0.18 -3.75 0.00 7.64 -1.25 -4.06 113.62 111.98 2ka7 n SER 55 Ca 0.11 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.25 2ka7 n SER 55 Cb 0.78 -1.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.05 1.31 -0.51 0.44 1.01 0.16 -0.28 121.20 121.28 2ka7 s ILE 56 Ca 0.69 -2.13 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 2ka7 s ILE 56 Cb -0.30 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.25 2ka7 s ILE 56 CO 0.55 -0.79 1.08 -1.61 0.00 0.00 0.00 174.94 174.17 2ka7 s GLU 57 N 0.85 3.56 0.00 2.79 2.02 -0.96 -2.30 118.70 124.67 2ka7 s GLU 57 Ca 0.14 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.40 2ka7 s GLU 57 Cb -0.21 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.05 2ka7 s GLU 57 CO -0.09 -1.45 0.00 -1.13 0.02 0.00 0.00 175.26 172.61 2ka7 n SER 58 N 7.81 0.00 -0.02 -0.19 3.41 0.25 -1.48 113.62 123.40 2ka7 n SER 58 Ca 0.08 -0.95 0.22 0.00 -0.26 0.00 0.00 58.87 57.96 2ka7 n SER 58 Cb 0.49 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.53 0.64 0.00 -3.33 -1.51 -1.74 -3.34 116.25 106.45 2ka7 h VAL 59 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 2ka7 h VAL 59 Cb 0.00 0.69 -0.10 0.00 -2.13 0.00 0.00 31.29 29.75 2ka7 h VAL 59 CO 0.00 0.00 -0.23 2.29 -1.23 0.00 0.00 177.57 178.40 2ka7 n LYS 60 N -4.26 0.00 -3.80 5.19 2.85 -1.26 -5.12 118.16 111.76 2ka7 n LYS 60 Ca 0.11 -0.79 -0.09 0.00 -1.05 0.00 0.00 58.31 56.49 2ka7 n LYS 60 Cb 0.67 0.48 -0.06 0.00 -0.65 0.00 0.00 35.03 35.48 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ka7 s ALA 61 N 0.00 -0.45 -0.27 0.58 0.00 -1.25 -5.14 121.76 115.23 2ka7 s ALA 61 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2ka7 s ALA 61 Cb 0.00 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.86 2ka7 s ALA 61 CO 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 175.76 175.18 2ka7 s ALA 62 N -3.87 1.78 -0.22 0.00 0.00 -1.26 -0.58 121.76 117.61 2ka7 s ALA 62 Ca 0.07 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 2ka7 s ALA 62 Cb 0.03 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2ka7 s ALA 62 CO -0.08 -1.41 1.09 0.00 0.00 0.00 0.00 175.76 175.36 2ka7 s ALA 63 N 1.48 3.67 0.06 0.00 0.00 -0.97 -4.91 121.76 121.09 2ka7 s ALA 63 Ca 0.02 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 2ka7 s ALA 63 Cb -0.18 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2ka7 s ALA 63 CO -0.13 -1.10 1.11 0.16 0.00 0.00 0.00 175.76 175.80 2ka7 s ASP 64 N 1.39 7.21 -0.36 0.00 1.47 -1.26 -0.67 116.67 124.46 2ka7 s ASP 64 Ca 0.46 1.91 -0.05 0.00 1.18 0.00 0.00 52.55 56.06 2ka7 s ASP 64 Cb -0.16 -2.58 0.07 0.00 -0.34 0.00 0.00 42.92 39.90 2ka7 s ASP 64 CO 0.08 -0.35 0.12 -0.69 0.68 0.00 0.00 175.17 175.01 2ka7 s VAL 65 N 0.81 3.50 -0.45 2.11 1.01 -1.26 -4.97 120.40 121.16 2ka7 s VAL 65 Ca 0.55 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 2ka7 s VAL 65 Cb -0.27 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2ka7 s VAL 65 CO 0.30 -0.33 0.36 -0.31 0.00 0.00 0.00 175.10 175.12 2ka7 s TYR 66 N 1.30 3.23 -0.29 5.22 1.51 -1.26 -3.43 117.35 123.63 2ka7 s TYR 66 Ca 0.00 -0.75 -0.37 0.00 -1.01 0.00 0.00 57.07 54.94 2ka7 s TYR 66 Cb -0.21 -2.93 -0.16 0.00 -0.11 0.00 0.00 41.96 38.55 2ka7 s TYR 66 CO -0.00 -0.71 1.18 0.00 -1.11 0.00 0.00 175.55 174.91 2ka7 n ALA 67 N 5.23 -1.68 0.17 3.71 0.00 0.62 -4.47 120.51 124.08 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 0.45 -1.53 0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 3.62 0.00 -5.05 0.00 0.13 -1.81 -2.63 132.00 126.26 2ka7 h PRO 68 Ca -0.38 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.42 2ka7 h PRO 68 Cb 1.14 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 2ka7 h PRO 68 CO 0.72 0.34 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.63 2ka7 s LEU 69 N -6.41 2.42 0.45 1.56 2.01 -1.26 -4.66 118.68 112.79 2ka7 s LEU 69 Ca 0.05 -1.07 -0.21 0.00 0.01 0.00 0.00 54.13 52.90 2ka7 s LEU 69 Cb 0.07 -0.31 -0.10 0.00 0.01 0.00 0.00 46.19 45.86 2ka7 s LEU 69 CO 0.72 -0.39 0.99 -0.44 1.01 0.00 0.00 176.35 178.23 2ka7 s SER 70 N -3.20 6.73 0.00 2.29 0.01 -1.26 -3.29 113.70 114.97 2ka7 s SER 70 Ca 0.20 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2ka7 s SER 70 Cb 0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2ka7 s SER 70 CO 0.03 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2ka7 n GLY 71 N -0.42 -0.76 2.96 3.44 0.00 -0.70 -3.63 105.19 106.08 2ka7 n GLY 71 Ca 0.08 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.83 1.05 0.33 1.61 2.20 -0.90 -0.65 119.74 121.56 2ka7 s LYS 72 Ca 0.00 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 2ka7 s LYS 72 Cb 0.00 -0.97 -0.11 0.00 -1.51 0.00 0.00 37.83 35.24 2ka7 s LYS 72 CO 0.00 0.01 1.51 0.42 -0.36 0.00 0.00 175.35 176.93 2ka7 s ILE 73 N 0.61 2.15 0.00 5.43 -1.09 0.27 -0.24 121.20 128.32 2ka7 s ILE 73 Ca -0.10 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2ka7 s ILE 73 Cb -0.13 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2ka7 s ILE 73 CO 0.01 0.03 0.03 1.33 -1.23 0.00 0.00 174.94 175.11 2ka7 n VAL 74 N 1.29 0.00 -3.73 2.92 0.24 -0.28 -2.70 118.33 116.06 2ka7 n VAL 74 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.39 0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.80 0.20 7.34 2.12 -1.05 -4.96 118.70 123.16 2ka7 s GLU 75 Ca 0.00 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2ka7 s GLU 75 Cb 0.00 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 2ka7 s GLU 75 CO 0.00 -0.25 0.03 0.14 -0.54 0.00 0.00 175.26 174.64 2ka7 s VAL 76 N -2.15 0.67 -0.86 3.70 -7.23 -1.26 -0.21 120.40 113.06 2ka7 s VAL 76 Ca -0.08 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2ka7 s VAL 76 Cb -0.02 -2.28 0.21 0.00 0.56 0.00 0.00 36.38 34.85 2ka7 s VAL 76 CO -0.01 -0.33 0.74 0.21 -0.31 0.00 0.00 175.10 175.41 2ka7 s ASN 77 N -3.22 5.93 0.34 4.85 2.47 -0.49 -4.89 114.94 119.93 2ka7 s ASN 77 Ca 0.28 -3.58 0.23 0.00 0.42 0.00 0.00 52.86 50.21 2ka7 s ASN 77 Cb 0.06 -1.91 1.24 0.00 -1.45 0.00 0.00 41.25 39.19 2ka7 s ASN 77 CO 0.07 -0.22 1.70 -0.33 -3.72 0.00 0.00 177.10 174.60 2ka7 h GLU 78 N 6.21 0.00 -0.51 0.43 5.08 -1.96 -0.37 114.58 123.46 2ka7 h GLU 78 Ca 0.13 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.61 2ka7 h GLU 78 Cb 0.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2ka7 h GLU 78 CO 0.83 0.00 0.35 0.87 -1.00 0.00 0.00 179.01 180.07 2ka7 h LYS 79 N 0.00 0.17 0.00 2.33 1.57 -1.96 -1.59 116.57 117.10 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 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2ka7 h LYS 79 CO 0.00 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.27 2ka7 n LEU 80 N -4.44 0.56 0.19 2.94 7.99 -0.15 -0.41 117.00 123.69 2ka7 n LEU 80 Ca 0.09 0.64 0.14 0.00 -0.01 0.00 0.00 56.01 56.87 2ka7 n LEU 80 Cb 0.46 -0.57 0.57 0.00 -0.11 0.00 0.00 43.42 43.77 2ka7 n LEU 80 CO 0.35 -0.52 0.91 -0.78 -1.51 0.00 0.00 177.39 175.85 2ka7 h ASP 81 N 0.00 0.00 0.00 -1.43 3.58 -1.48 -2.58 116.42 114.51 2ka7 h ASP 81 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka7 h ASP 81 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2ka7 h ASP 81 CO 0.00 0.00 -0.39 0.35 -2.88 0.00 0.00 179.24 176.32 2ka7 n THR 82 N -2.60 0.00 -3.31 2.25 -2.24 -0.55 -4.82 114.28 103.02 2ka7 n THR 82 Ca 0.02 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 2ka7 n THR 82 Cb 0.27 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.70 1.15 0.24 -0.78 1.02 0.45 -4.87 120.64 117.16 2ka7 n GLU 83 Ca 0.00 -3.64 0.16 0.00 -0.02 0.00 0.00 57.16 53.66 2ka7 n GLU 83 Cb 0.00 -1.58 0.78 0.00 -0.02 0.00 0.00 31.44 30.62 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 4.31 0.00 -0.00 3.49 0.13 -1.67 -1.86 132.00 136.39 2ka7 h PRO 84 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ka7 h PRO 84 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2ka7 h PRO 84 CO 0.56 0.00 -0.13 0.39 -0.23 0.00 0.00 178.00 178.59 2ka7 n GLU 85 N -2.69 0.72 0.25 0.86 -0.58 -1.26 -3.44 120.64 114.49 2ka7 n GLU 85 Ca -0.01 -0.28 0.17 0.00 -0.42 0.00 0.00 57.16 56.62 2ka7 n GLU 85 Cb 0.15 -1.49 0.78 0.00 -0.57 0.00 0.00 31.44 30.30 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2ka7 h LEU 86 N 0.68 0.00 -1.28 -4.62 3.38 -1.73 -1.07 115.31 110.67 2ka7 h LEU 86 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ka7 h LEU 86 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2ka7 h LEU 86 CO 0.00 0.00 0.10 0.40 0.09 0.00 0.00 178.44 179.03 2ka7 h ILE 87 N 0.00 1.18 0.17 1.22 2.04 -1.76 -0.98 117.51 119.38 2ka7 h ILE 87 Ca 0.00 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2ka7 h ILE 87 Cb 0.28 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2ka7 h ILE 87 CO 0.00 0.24 -0.08 0.78 0.00 0.00 0.00 178.15 179.08 2ka7 h ASN 88 N 0.58 -0.19 -0.49 1.72 2.35 -1.44 -3.07 115.58 115.03 2ka7 h ASN 88 Ca 0.13 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2ka7 h ASN 88 Cb 0.22 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2ka7 h ASN 88 CO -0.00 0.13 0.11 0.50 -1.65 0.00 0.00 177.43 176.51 2ka7 h LYS 89 N -0.53 0.85 -0.44 0.81 3.11 -1.11 -3.40 116.57 115.86 2ka7 h LYS 89 Ca -0.02 -0.19 -0.04 0.00 -2.81 0.00 0.00 60.65 57.59 2ka7 h LYS 89 Cb 0.41 -0.12 -0.15 0.00 -1.00 0.00 0.00 32.23 31.36 2ka7 h LYS 89 CO 0.04 0.78 -0.24 -0.25 -2.81 0.00 0.00 179.45 176.97 2ka7 n ASP 90 N -4.26 -2.09 0.14 4.20 8.00 -0.43 -5.04 116.55 117.09 2ka7 n ASP 90 Ca 0.04 -1.57 0.12 0.00 0.71 0.00 0.00 54.79 54.09 2ka7 n ASP 90 Cb 0.25 1.06 0.52 0.00 -0.02 0.00 0.00 41.12 42.92 2ka7 n ASP 90 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ka7 n PRO 91 N 2.69 0.20 -2.34 -0.24 -0.04 -1.16 -1.58 135.00 132.52 2ka7 n PRO 91 Ca 0.13 0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 63.87 2ka7 n PRO 91 Cb 0.62 -1.91 0.02 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.29 3.02 0.00 0.54 1.02 -1.26 -4.22 120.64 117.45 2ka7 n GLU 92 Ca 0.01 -4.07 0.00 0.00 -0.02 0.00 0.00 57.16 53.08 2ka7 n GLU 92 Cb 0.20 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 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 -0.57 1.67 0.15 0.62 0.00 -1.05 -5.00 105.19 101.02 2ka7 n GLY 93 Ca 0.33 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.74 1.61 4.39 -1.89 -3.35 114.58 113.60 2ka7 h GLU 94 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2ka7 h GLU 94 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2ka7 h GLU 94 CO 0.00 0.54 0.20 0.41 -1.16 0.00 0.00 179.01 178.99 2ka7 n GLY 95 N 0.79 3.23 3.72 -3.84 0.00 -0.61 -4.92 105.19 103.55 2ka7 n GLY 95 Ca 0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.86 2.33 -0.09 1.61 1.48 -1.26 -4.67 118.94 117.50 2ka7 s TRP 96 Ca 0.15 1.33 -0.08 0.00 -1.06 0.00 0.00 56.10 56.43 2ka7 s TRP 96 Cb 0.11 -3.14 -0.03 0.00 -1.16 0.00 0.00 33.47 29.25 2ka7 s TRP 96 CO -0.00 -2.31 -0.16 1.28 -4.06 0.00 0.00 176.95 171.69 2ka7 n LEU 97 N -3.84 0.93 -4.06 -4.66 4.77 -0.61 -4.75 117.00 104.78 2ka7 n LEU 97 Ca 0.07 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2ka7 n LEU 97 Cb 0.55 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2ka7 n LEU 97 CO 0.55 -0.40 0.11 0.72 -1.33 0.00 0.00 177.39 177.04 2ka7 s PHE 98 N -1.90 0.75 0.13 -1.77 -0.12 -1.17 -1.40 117.98 112.50 2ka7 s PHE 98 Ca -0.14 -1.05 0.07 0.00 -0.05 0.00 0.00 56.93 55.77 2ka7 s PHE 98 Cb 0.02 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 2ka7 s PHE 98 CO 0.20 -1.01 -0.17 0.15 -0.05 0.00 0.00 175.22 174.34 2ka7 s LYS 99 N -3.62 1.12 -0.14 1.99 1.02 0.71 -0.96 119.74 119.85 2ka7 s LYS 99 Ca 0.28 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.89 2ka7 s LYS 99 Cb 0.00 -1.13 0.04 0.00 -0.52 0.00 0.00 37.83 36.23 2ka7 s LYS 99 CO 0.14 0.23 0.36 0.00 -0.92 0.00 0.00 175.35 175.16 2ka7 s MET 100 N -2.53 0.38 0.04 1.68 0.23 -0.10 -1.13 119.30 117.86 2ka7 s MET 100 Ca 0.10 0.58 -0.34 0.00 -1.03 0.00 0.00 55.69 55.00 2ka7 s MET 100 Cb -0.06 0.10 -0.13 0.00 -1.53 0.00 0.00 34.83 33.20 2ka7 s MET 100 CO 0.04 -0.10 1.70 -1.91 -2.03 0.00 0.00 175.02 172.73 2ka7 n GLU 101 N 3.45 2.10 -2.38 3.16 2.13 0.67 -0.89 120.64 128.88 2ka7 n GLU 101 Ca -0.18 0.76 -0.42 0.00 0.66 0.00 0.00 57.16 57.99 2ka7 n GLU 101 Cb 0.56 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 2ka7 n GLU 101 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2ka7 s ILE 102 N 2.30 3.91 0.05 6.31 -4.36 -0.40 -2.12 121.20 126.89 2ka7 s ILE 102 Ca 0.85 1.37 -0.16 0.00 -0.26 0.00 0.00 60.65 62.45 2ka7 s ILE 102 Cb -0.71 -3.88 -0.23 0.00 1.25 0.00 0.00 42.46 38.90 2ka7 s ILE 102 CO 0.45 0.10 1.16 0.77 0.24 0.00 0.00 174.94 177.66 2ka7 h SER 103 N 6.83 0.75 -2.37 4.36 4.64 -1.90 -3.45 113.55 122.41 2ka7 h SER 103 Ca -0.41 -0.74 -0.50 0.00 -0.47 0.00 0.00 61.79 59.67 2ka7 h SER 103 Cb 1.21 -0.23 -0.36 0.00 -0.31 0.00 0.00 62.40 62.71 2ka7 h SER 103 CO 0.82 1.38 -0.79 -1.81 -0.87 0.00 0.00 176.83 175.57 2ka7 s ASP 104 N -7.03 2.35 0.01 4.97 1.01 -1.26 -4.97 116.67 111.75 2ka7 s ASP 104 Ca -0.11 -1.93 0.00 0.00 0.71 0.00 0.00 52.55 51.22 2ka7 s ASP 104 Cb 0.06 -0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.95 2ka7 s ASP 104 CO 0.88 -0.30 0.93 1.21 0.21 0.00 0.00 175.17 178.10 2ka7 n GLU 105 N 4.16 0.00 0.06 8.23 2.13 -1.26 -1.67 120.64 132.30 2ka7 n GLU 105 Ca 0.11 0.43 0.12 0.00 0.66 0.00 0.00 57.16 58.47 2ka7 n GLU 105 Cb 0.40 -1.59 0.09 0.00 0.27 0.00 0.00 31.44 30.61 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ka7 n GLY 106 N -1.42 -1.36 0.15 8.31 0.00 -1.26 -3.39 105.19 106.22 2ka7 n GLY 106 Ca -0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.86 2ka7 n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 107 N 0.00 0.00 0.00 1.61 4.39 -1.75 -3.23 114.58 115.60 2ka7 h GLU 107 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ka7 h GLU 107 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2ka7 h GLU 107 CO 0.00 0.00 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.75 2ka7 h LEU 108 N 0.00 0.00 -3.41 1.33 3.38 -1.71 -1.77 115.31 113.14 2ka7 h LEU 108 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2ka7 h LEU 108 Cb 0.65 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.21 2ka7 h LEU 108 CO 0.00 0.03 0.39 -0.62 0.09 0.00 0.00 178.44 178.33 2ka7 n GLU 109 N -4.38 2.45 -0.00 1.13 1.02 -1.22 -1.52 120.64 118.12 2ka7 n GLU 109 Ca -0.03 -2.35 0.02 0.00 -0.02 0.00 0.00 57.16 54.79 2ka7 n GLU 109 Cb 0.11 -1.95 0.02 0.00 -0.02 0.00 0.00 31.44 29.60 2ka7 n GLU 109 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ka7 n ASP 110 N -0.47 1.38 -3.66 1.62 2.03 -0.67 -5.06 116.55 111.72 2ka7 n ASP 110 Ca 0.40 -1.21 -0.21 0.00 0.52 0.00 0.00 54.79 54.29 2ka7 n ASP 110 Cb 1.31 -0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.84 2ka7 n ASP 110 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ka7 n LEU 111 N 0.20 0.00 -4.70 -2.67 4.77 -0.58 -5.06 117.00 108.97 2ka7 n LEU 111 Ca 0.02 -1.32 -0.38 0.00 -0.03 0.00 0.00 56.01 54.30 2ka7 n LEU 111 Cb 0.11 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 2ka7 n LEU 111 CO 0.02 -1.11 0.22 -0.76 -1.33 0.00 0.00 177.39 174.43 2ka7 s LEU 112 N 0.00 4.23 1.31 2.23 1.43 -0.81 -4.96 118.68 122.11 2ka7 s LEU 112 Ca 0.56 0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 2ka7 s LEU 112 Cb -0.02 -2.73 0.33 0.00 0.03 0.00 0.00 46.19 43.79 2ka7 s LEU 112 CO 0.39 -0.08 1.03 -1.81 0.23 0.00 0.00 176.35 176.11 2ka7 s ASP 113 N 0.82 -0.03 -0.01 2.29 1.01 -1.26 -2.63 116.67 116.86 2ka7 s ASP 113 Ca 0.26 0.73 -0.25 0.00 0.71 0.00 0.00 52.55 54.00 2ka7 s ASP 113 Cb -0.15 -1.02 -0.20 0.00 1.01 0.00 0.00 42.92 42.57 2ka7 s ASP 113 CO 0.11 -4.72 1.28 -0.08 0.21 0.00 0.00 175.17 171.97 2ka7 h GLU 114 N -2.98 0.05 -0.57 8.23 4.81 -1.98 0.14 114.58 122.27 2ka7 h GLU 114 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2ka7 h GLU 114 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 2ka7 h GLU 114 CO 0.31 0.51 0.37 0.37 -0.73 0.00 0.00 179.01 179.84 2ka7 h GLN 115 N -0.42 0.75 -0.76 1.92 4.15 -1.98 0.14 115.11 118.91 2ka7 h GLN 115 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2ka7 h GLN 115 Cb 0.51 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 2ka7 h GLN 115 CO 0.00 0.51 0.37 0.00 -1.93 0.00 0.00 178.83 177.78 2ka7 h ALA 116 N 1.20 1.21 -0.38 3.38 0.00 -1.91 -1.88 119.26 120.88 2ka7 h ALA 116 Ca 0.21 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2ka7 h ALA 116 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2ka7 h ALA 116 CO -0.04 0.60 -0.23 -0.92 0.00 0.00 0.00 179.25 178.66 2ka7 h TYR 117 N 1.08 0.95 -0.74 0.00 3.20 -0.20 -3.20 116.97 118.06 2ka7 h TYR 117 Ca 0.26 -0.25 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2ka7 h TYR 117 Cb 0.11 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.08 2ka7 h TYR 117 CO 0.01 1.02 0.34 0.37 -1.64 0.00 0.00 178.16 178.26 2ka7 h GLN 118 N 0.62 0.53 0.01 1.82 4.15 -0.24 0.10 115.11 122.10 2ka7 h GLN 118 Ca 0.08 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.50 2ka7 h GLN 118 Cb 0.79 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 2ka7 h GLN 118 CO 0.06 0.35 -0.38 1.49 -1.93 0.00 0.00 178.83 178.42 2ka7 h GLU 119 N 0.55 -0.52 -0.24 1.69 4.81 -1.36 -1.59 114.58 117.93 2ka7 h GLU 119 Ca 0.38 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 2ka7 h GLU 119 Cb 0.48 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2ka7 h GLU 119 CO -0.32 -0.35 0.01 0.35 -0.73 0.00 0.00 179.01 177.96 2ka7 h PHE 120 N -0.54 0.45 0.00 0.92 3.04 -1.35 -2.17 116.94 117.28 2ka7 h PHE 120 Ca 0.05 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2ka7 h PHE 120 Cb 0.62 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.01 2ka7 h PHE 120 CO -0.39 0.58 0.00 0.00 -2.02 0.00 0.00 178.31 176.48 2ka7 n ALA 122 N -1.73 2.45 0.88 0.00 0.00 -0.61 -4.40 120.51 117.09 2ka7 n ALA 122 Ca 0.01 -1.77 0.10 0.00 0.00 0.00 0.00 53.44 51.78 2ka7 n ALA 122 Cb 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2ka7 n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ka7 n GLN 123 N -0.34 1.46 0.00 0.00 1.13 -0.17 -5.01 117.38 114.45 2ka7 n GLN 123 Ca 0.14 -1.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 2ka7 n GLN 123 Cb 0.59 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.55 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71