#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 4.43 -0.00 0.03 1.02 -1.20 -4.33 119.74 119.68 2ka7 s LYS 2 Ca 0.00 1.73 -0.29 0.00 0.02 0.00 0.00 55.97 57.43 2ka7 s LYS 2 Cb 0.00 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.99 2ka7 s LYS 2 CO 0.00 -0.27 0.67 0.00 -0.92 0.00 0.00 175.35 174.83 2ka7 s MET 3 N 1.26 1.09 -0.49 1.68 0.23 -0.93 -4.97 119.30 117.17 2ka7 s MET 3 Ca 0.58 0.08 0.03 0.00 -1.03 0.00 0.00 55.69 55.35 2ka7 s MET 3 Cb -0.28 0.51 0.14 0.00 -1.53 0.00 0.00 34.83 33.67 2ka7 s MET 3 CO 0.28 -0.38 0.28 0.21 -2.03 0.00 0.00 175.02 173.38 2ka7 s LYS 4 N -1.82 1.63 0.65 3.16 2.20 -1.26 -1.07 119.74 123.23 2ka7 s LYS 4 Ca -0.08 -2.36 0.00 0.00 -0.36 0.00 0.00 55.97 53.17 2ka7 s LYS 4 Cb -0.00 -2.74 0.09 0.00 -1.51 0.00 0.00 37.83 33.67 2ka7 s LYS 4 CO 0.04 -1.17 0.91 0.15 -0.36 0.00 0.00 175.35 174.92 2ka7 s LYS 5 N -0.07 2.03 0.34 4.03 1.02 -0.76 -4.80 119.74 121.53 2ka7 s LYS 5 Ca 0.19 -0.99 0.05 0.00 0.02 0.00 0.00 55.97 55.24 2ka7 s LYS 5 Cb -0.21 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2ka7 s LYS 5 CO -0.03 -1.15 0.20 0.71 -0.92 0.00 0.00 175.35 174.16 2ka7 s TYR 6 N -2.99 1.69 0.27 3.18 1.51 -0.56 -0.70 117.35 119.75 2ka7 s TYR 6 Ca 0.63 -1.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.25 2ka7 s TYR 6 Cb -0.07 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 40.86 2ka7 s TYR 6 CO 0.42 -0.61 0.04 0.95 -1.11 0.00 0.00 175.55 175.23 2ka7 s THR 7 N -3.46 1.00 -1.18 -0.71 -4.23 -0.88 -2.43 115.64 103.75 2ka7 s THR 7 Ca 0.35 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2ka7 s THR 7 Cb 0.03 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2ka7 s THR 7 CO 0.21 -0.14 0.51 0.29 -0.54 0.00 0.00 174.62 174.94 2ka7 n LYS 8 N -0.52 0.86 -0.62 3.99 4.01 -1.26 -3.80 118.16 120.82 2ka7 n LYS 8 Ca -0.03 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.83 2ka7 n LYS 8 Cb 0.65 -1.35 0.14 0.00 -0.51 0.00 0.00 35.03 33.96 2ka7 n LYS 8 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2ka7 n THR 9 N -0.03 1.55 -4.08 -0.18 -2.24 -1.26 -4.99 114.28 103.05 2ka7 n THR 9 Ca 0.00 -2.33 -0.29 0.00 -2.27 0.00 0.00 64.05 59.16 2ka7 n THR 9 Cb 0.18 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2ka7 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka7 n HIS 10 N -0.82 -1.51 -4.90 4.78 1.44 -1.25 -4.72 115.22 108.24 2ka7 n HIS 10 Ca 0.14 0.65 -0.28 0.00 -2.01 0.00 0.00 57.72 56.22 2ka7 n HIS 10 Cb 0.76 -3.35 -0.15 0.00 0.12 0.00 0.00 29.99 27.37 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2ka7 s GLU 11 N -6.87 1.71 0.24 -1.40 2.02 -1.26 -1.18 118.70 111.96 2ka7 s GLU 11 Ca 0.05 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2ka7 s GLU 11 Cb -0.02 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2ka7 s GLU 11 CO 0.93 0.47 0.37 1.67 0.02 0.00 0.00 175.26 178.72 2ka7 s TRP 12 N -0.73 3.46 -0.20 1.61 1.48 -0.32 -2.06 118.94 122.17 2ka7 s TRP 12 Ca 0.10 0.02 -0.04 0.00 -1.06 0.00 0.00 56.10 55.12 2ka7 s TRP 12 Cb -0.09 -1.61 0.08 0.00 -1.16 0.00 0.00 33.47 30.69 2ka7 s TRP 12 CO 0.01 0.42 0.13 0.08 -4.06 0.00 0.00 176.95 173.53 2ka7 s VAL 13 N -1.99 -0.14 -1.01 -0.66 1.01 0.12 -2.85 120.40 114.89 2ka7 s VAL 13 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2ka7 s VAL 13 Cb -0.09 -0.68 0.28 0.00 0.00 0.00 0.00 36.38 35.89 2ka7 s VAL 13 CO 0.30 -0.35 1.16 -1.20 0.00 0.00 0.00 175.10 175.01 2ka7 n SER 14 N 5.28 5.45 -4.76 3.32 7.64 0.11 -1.83 113.62 128.83 2ka7 n SER 14 Ca -0.06 -3.26 -0.38 0.00 1.01 0.00 0.00 58.87 56.18 2ka7 n SER 14 Cb 0.48 -1.19 0.02 0.00 -1.01 0.00 0.00 64.21 62.51 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 -2.07 2.53 0.00 0.44 1.09 -0.23 -2.21 121.20 120.75 2ka7 s ILE 15 Ca 0.31 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.27 2ka7 s ILE 15 Cb -0.00 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.19 2ka7 s ILE 15 CO -0.00 -0.00 0.00 -1.84 -0.10 0.00 0.00 174.94 172.99 2ka7 n GLU 16 N -0.74 0.00 0.05 2.79 0.28 -0.63 -2.19 120.64 120.21 2ka7 n GLU 16 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2ka7 n GLU 16 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 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 -2.41 0.63 -0.25 -1.84 2.03 -1.26 -3.27 116.55 110.18 2ka7 n ASP 17 Ca 0.00 0.17 0.01 0.00 0.52 0.00 0.00 54.79 55.48 2ka7 n ASP 17 Cb 0.00 -0.13 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 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 -3.25 0.20 -4.14 -0.67 5.02 -1.26 -4.68 118.16 109.38 2ka7 n LYS 18 Ca 0.00 -0.90 -0.16 0.00 -2.02 0.00 0.00 58.31 55.23 2ka7 n LYS 18 Cb 0.00 -0.57 -0.12 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.20 0.94 -0.06 -0.18 1.01 -1.26 -1.06 120.40 119.58 2ka7 s VAL 19 Ca 0.02 -1.30 0.05 0.00 0.00 0.00 0.00 61.98 60.74 2ka7 s VAL 19 Cb 0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2ka7 s VAL 19 CO 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 175.10 174.57 2ka7 s ALA 20 N -1.49 1.84 -0.36 5.51 0.00 -0.57 -1.61 121.76 125.09 2ka7 s ALA 20 Ca -0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2ka7 s ALA 20 Cb -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2ka7 s ALA 20 CO 0.01 0.30 1.24 0.99 0.00 0.00 0.00 175.76 178.30 2ka7 s THR 21 N 0.12 4.20 0.05 0.00 2.01 -0.94 -2.14 115.64 118.94 2ka7 s THR 21 Ca -0.09 1.32 -0.23 0.00 0.31 0.00 0.00 61.69 63.00 2ka7 s THR 21 Cb -0.14 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 2ka7 s THR 21 CO 0.04 -0.63 0.71 -0.69 -0.69 0.00 0.00 174.62 173.36 2ka7 s VAL 22 N 4.39 4.74 0.25 3.82 1.01 -0.85 -0.71 120.40 133.06 2ka7 s VAL 22 Ca 0.53 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 2ka7 s VAL 22 Cb -0.13 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2ka7 s VAL 22 CO 0.25 0.41 0.50 -0.83 0.00 0.00 0.00 175.10 175.42 2ka7 s GLY 23 N -0.28 0.52 0.30 4.51 0.00 -1.13 -1.40 107.32 109.84 2ka7 s GLY 23 Ca 0.35 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 2ka7 s GLY 23 CO 0.21 -0.60 0.61 -0.26 0.00 0.00 0.00 173.10 173.06 2ka7 s ILE 24 N -3.97 4.94 0.49 0.90 -4.36 -1.25 -1.18 121.20 116.78 2ka7 s ILE 24 Ca 0.22 0.32 -0.01 0.00 -0.26 0.00 0.00 60.65 60.91 2ka7 s ILE 24 Cb -0.01 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 40.00 2ka7 s ILE 24 CO 0.09 -0.30 0.74 0.42 0.24 0.00 0.00 174.94 176.13 2ka7 s THR 25 N -2.08 3.89 0.37 8.37 -4.23 -0.32 -4.34 115.64 117.30 2ka7 s THR 25 Ca 0.47 -0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.76 2ka7 s THR 25 Cb -0.11 -3.47 0.35 0.00 1.34 0.00 0.00 72.50 70.62 2ka7 s THR 25 CO 0.28 -0.37 1.80 -0.55 -0.54 0.00 0.00 174.62 175.24 2ka7 h ASN 26 N 0.23 0.56 -1.04 3.99 -1.07 -1.94 -0.32 115.58 115.99 2ka7 h ASN 26 Ca -0.46 0.07 0.28 0.00 0.07 0.00 0.00 56.30 56.26 2ka7 h ASN 26 Cb 1.25 -0.03 -0.08 0.00 -2.07 0.00 0.00 38.32 37.40 2ka7 h ASN 26 CO 0.58 0.19 0.70 -0.74 0.07 0.00 0.00 177.43 178.22 2ka7 h HIS 27 N 0.54 0.47 0.09 4.14 2.76 -1.95 0.16 115.15 121.35 2ka7 h HIS 27 Ca 0.54 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.73 2ka7 h HIS 27 Cb 1.16 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2ka7 h HIS 27 CO -0.00 0.05 -0.04 0.00 -1.30 0.00 0.00 177.93 176.64 2ka7 h ALA 28 N 1.57 -0.80 0.00 5.26 0.00 -1.35 -3.22 119.26 120.71 2ka7 h ALA 28 Ca 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2ka7 h ALA 28 Cb 1.64 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ka7 h ALA 28 CO -0.21 -0.79 -0.14 -0.56 0.00 0.00 0.00 179.25 177.55 2ka7 h GLN 29 N -0.14 0.00 -0.73 0.00 -0.00 -1.41 -2.09 115.11 110.73 2ka7 h GLN 29 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 2ka7 h GLN 29 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.54 2ka7 h GLN 29 CO 0.02 0.14 0.23 0.93 -0.00 0.00 0.00 178.83 180.15 2ka7 h GLU 30 N 0.00 1.14 0.17 0.06 4.39 -0.82 0.23 114.58 119.75 2ka7 h GLU 30 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2ka7 h GLU 30 Cb 0.41 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2ka7 h GLU 30 CO 0.02 0.97 -0.08 -0.56 -1.16 0.00 0.00 179.01 178.20 2ka7 h GLN 31 N 1.09 -0.22 -0.39 2.33 3.07 -1.49 -3.38 115.11 116.12 2ka7 h GLN 31 Ca 0.24 0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.93 2ka7 h GLN 31 Cb 0.30 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 2ka7 h GLN 31 CO -0.01 0.10 -0.03 -0.07 0.09 0.00 0.00 178.83 178.92 2ka7 h LEU 32 N -0.98 0.61 0.00 0.06 3.38 -1.30 -3.48 115.31 113.61 2ka7 h LEU 32 Ca -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2ka7 h LEU 32 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ka7 h LEU 32 CO 0.04 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2ka7 n GLY 33 N -0.71 2.40 3.54 0.83 0.00 0.79 -4.73 105.19 107.30 2ka7 n GLY 33 Ca 0.02 -0.45 -0.47 0.00 0.00 0.00 0.00 46.02 45.13 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka7 n ASP 34 N 2.92 2.80 -4.88 1.61 9.92 -1.26 -4.84 116.55 122.81 2ka7 n ASP 34 Ca 0.00 0.34 -0.22 0.00 -0.53 0.00 0.00 54.79 54.38 2ka7 n ASP 34 Cb 0.00 -1.42 0.06 0.00 -0.64 0.00 0.00 41.12 39.12 2ka7 n ASP 34 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ka7 s VAL 35 N 7.62 2.47 0.00 2.53 1.01 -1.26 -2.15 120.40 130.62 2ka7 s VAL 35 Ca 1.04 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2ka7 s VAL 35 Cb -0.58 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2ka7 s VAL 35 CO 0.42 0.00 0.00 1.33 0.00 0.00 0.00 175.10 176.85 2ka7 n VAL 36 N -2.50 0.00 -3.60 2.92 0.24 -1.25 -4.61 118.33 109.53 2ka7 n VAL 36 Ca 0.11 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.26 2ka7 n VAL 36 Cb 0.60 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.00 -0.40 -0.02 6.34 5.04 -1.18 -4.85 117.35 121.29 2ka7 s TYR 37 Ca 0.00 0.49 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 2ka7 s TYR 37 Cb 0.00 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.62 2ka7 s TYR 37 CO 0.00 -0.60 -0.02 0.14 -1.34 0.00 0.00 175.55 173.73 2ka7 s VAL 38 N -2.17 0.24 -0.09 3.14 -7.23 -1.26 -2.84 120.40 110.19 2ka7 s VAL 38 Ca -0.07 -0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2ka7 s VAL 38 Cb -0.01 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 2ka7 s VAL 38 CO 0.00 0.11 1.29 -0.62 -0.31 0.00 0.00 175.10 175.58 2ka7 s ASP 39 N 0.41 6.95 0.00 4.85 2.15 0.34 -4.91 116.67 126.46 2ka7 s ASP 39 Ca -0.04 1.85 0.08 0.00 0.43 0.00 0.00 52.55 54.87 2ka7 s ASP 39 Cb -0.07 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2ka7 s ASP 39 CO -0.01 -0.70 -0.25 -0.76 -0.17 0.00 0.00 175.17 173.28 2ka7 s LEU 40 N 2.90 2.18 1.08 -1.34 1.43 -1.26 -3.54 118.68 120.12 2ka7 s LEU 40 Ca 0.58 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 2ka7 s LEU 40 Cb -0.25 -1.35 0.25 0.00 0.03 0.00 0.00 46.19 44.87 2ka7 s LEU 40 CO 0.20 0.30 1.26 -2.16 0.23 0.00 0.00 176.35 176.18 2ka7 s PRO 41 N -0.89 -0.30 0.59 1.29 0.04 -1.16 -4.98 135.00 129.59 2ka7 s PRO 41 Ca 0.11 -0.39 -0.13 0.00 0.04 0.00 0.00 61.00 60.63 2ka7 s PRO 41 Cb -0.10 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2ka7 s PRO 41 CO 0.01 -3.05 1.02 -2.00 0.04 0.00 0.00 177.00 173.01 2ka7 s GLU 42 N -5.79 3.68 0.00 4.56 2.12 -1.26 -4.95 118.70 117.06 2ka7 s GLU 42 Ca 0.75 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.92 2ka7 s GLU 42 Cb -0.04 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2ka7 s GLU 42 CO 0.54 -0.50 0.70 1.55 -0.54 0.00 0.00 175.26 177.01 2ka7 n VAL 43 N -2.34 0.00 -1.91 3.70 3.14 -1.26 -2.42 118.33 117.24 2ka7 n VAL 43 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2ka7 n VAL 43 Cb 0.54 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 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 0.21 0.61 3.70 7.55 0.00 -1.17 -3.68 105.19 112.41 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 4.38 0.43 1.61 3.52 -1.01 -4.72 118.95 123.16 2ka7 s ARG 45 Ca 0.00 1.81 -0.23 0.00 -0.13 0.00 0.00 55.73 57.18 2ka7 s ARG 45 Cb 0.00 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 2ka7 s ARG 45 CO 0.00 -0.37 1.09 -1.21 -0.81 0.00 0.00 175.30 174.00 2ka7 s GLU 46 N 1.53 3.96 0.19 5.12 2.02 -1.26 -0.51 118.70 129.75 2ka7 s GLU 46 Ca 0.59 1.58 -0.03 0.00 0.02 0.00 0.00 54.97 57.13 2ka7 s GLU 46 Cb -0.29 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 2ka7 s GLU 46 CO 0.27 -0.33 0.17 0.14 0.02 0.00 0.00 175.26 175.53 2ka7 s VAL 47 N -1.67 0.03 0.35 2.63 -7.23 0.25 -4.91 120.40 109.86 2ka7 s VAL 47 Ca 0.61 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ka7 s VAL 47 Cb -0.23 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 2ka7 s VAL 47 CO 0.29 -0.14 0.05 -0.54 -0.31 0.00 0.00 175.10 174.45 2ka7 s LYS 48 N -4.10 1.75 0.00 4.82 1.02 -1.26 -1.68 119.74 120.29 2ka7 s LYS 48 Ca 0.31 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.32 2ka7 s LYS 48 Cb 0.06 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2ka7 s LYS 48 CO 0.08 -0.18 0.35 0.36 -0.92 0.00 0.00 175.35 175.04 2ka7 n LYS 49 N -0.78 0.47 -0.26 1.68 -0.00 -1.05 -1.35 118.16 116.87 2ka7 n LYS 49 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2ka7 n LYS 49 Cb 0.67 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.45 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka7 n GLY 50 N 0.51 0.14 3.62 2.58 0.00 -0.85 -4.61 105.19 106.59 2ka7 n GLY 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.83 -0.85 1.61 2.56 -0.46 -4.46 118.70 120.93 2ka7 s GLU 51 Ca 0.00 1.18 -0.25 0.00 0.00 0.00 0.00 54.97 55.90 2ka7 s GLU 51 Cb 0.00 -3.92 0.01 0.00 2.00 0.00 0.00 34.13 32.22 2ka7 s GLU 51 CO 0.00 -1.24 1.60 0.54 -0.56 0.00 0.00 175.26 175.60 2ka7 s VAL 52 N 4.66 3.66 0.00 3.70 0.11 -1.26 -0.40 120.40 130.87 2ka7 s VAL 52 Ca 0.58 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2ka7 s VAL 52 Cb -0.16 -4.58 0.00 0.00 -1.53 0.00 0.00 36.38 30.11 2ka7 s VAL 52 CO 0.26 -1.50 0.61 1.33 -3.33 0.00 0.00 175.10 172.46 2ka7 n VAL 53 N 7.05 0.36 -2.75 2.04 0.24 -1.23 -4.83 118.33 119.21 2ka7 n VAL 53 Ca 0.25 -0.53 -0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2ka7 n VAL 53 Cb 0.50 0.96 0.06 0.00 -1.47 0.00 0.00 33.84 33.89 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 2.68 -1.43 2.33 0.00 -1.25 -2.97 120.51 119.69 2ka7 n ALA 54 Ca 0.00 -2.24 -0.37 0.00 0.00 0.00 0.00 53.44 50.83 2ka7 n ALA 54 Cb 0.20 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.73 0.09 -4.48 0.00 7.64 -1.23 -4.27 113.62 110.63 2ka7 n SER 55 Ca -0.00 0.70 -0.33 0.00 1.01 0.00 0.00 58.87 60.24 2ka7 n SER 55 Cb 0.84 -1.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 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 -1.73 3.45 -0.17 0.44 1.01 0.25 -0.50 121.20 123.94 2ka7 s ILE 56 Ca 0.72 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 2ka7 s ILE 56 Cb -0.37 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 2ka7 s ILE 56 CO 0.51 0.55 -0.13 -1.61 0.00 0.00 0.00 174.94 174.26 2ka7 s GLU 57 N -0.19 3.26 0.24 2.79 2.02 -1.13 -1.39 118.70 124.30 2ka7 s GLU 57 Ca 0.02 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.33 2ka7 s GLU 57 Cb -0.13 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.42 2ka7 s GLU 57 CO 0.03 -0.02 0.33 -1.13 0.02 0.00 0.00 175.26 174.48 2ka7 n SER 58 N 4.20 0.80 -0.31 -0.19 3.41 -0.14 -3.09 113.62 118.32 2ka7 n SER 58 Ca -0.19 -1.59 0.07 0.00 -0.26 0.00 0.00 58.87 56.90 2ka7 n SER 58 Cb 0.51 -0.18 0.17 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.02 0.15 -0.99 -3.33 -1.51 -1.72 -3.35 116.25 105.48 2ka7 h VAL 59 Ca -0.11 -0.01 -0.10 0.00 -1.23 0.00 0.00 66.70 65.25 2ka7 h VAL 59 Cb 0.49 0.12 -0.18 0.00 -2.13 0.00 0.00 31.29 29.60 2ka7 h VAL 59 CO 0.15 0.01 -0.46 -0.75 -1.23 0.00 0.00 177.57 175.28 2ka7 s LYS 60 N -6.16 0.93 -0.28 5.19 2.20 -1.26 -5.12 119.74 115.24 2ka7 s LYS 60 Ca -0.14 -0.65 -0.28 0.00 -0.36 0.00 0.00 55.97 54.54 2ka7 s LYS 60 Cb 0.25 0.03 0.19 0.00 -1.51 0.00 0.00 37.83 36.79 2ka7 s LYS 60 CO 0.77 -1.24 1.37 0.00 -0.36 0.00 0.00 175.35 175.88 2ka7 s ALA 61 N 1.37 -2.14 0.20 3.13 0.00 -1.26 -5.10 121.76 117.96 2ka7 s ALA 61 Ca 0.23 1.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.99 2ka7 s ALA 61 Cb -0.02 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2ka7 s ALA 61 CO -0.06 -0.21 0.42 0.00 0.00 0.00 0.00 175.76 175.91 2ka7 s ALA 62 N -0.76 3.77 -0.04 0.00 0.00 -1.26 -0.97 121.76 122.50 2ka7 s ALA 62 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2ka7 s ALA 62 Cb -0.02 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 21.02 2ka7 s ALA 62 CO -0.09 0.48 0.05 0.00 0.00 0.00 0.00 175.76 176.20 2ka7 s ALA 63 N -1.83 0.31 0.21 0.00 0.00 -0.48 -4.99 121.76 114.97 2ka7 s ALA 63 Ca 0.41 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2ka7 s ALA 63 Cb -0.11 -0.64 -0.12 0.00 0.00 0.00 0.00 23.12 22.25 2ka7 s ALA 63 CO 0.27 -0.48 1.70 -0.25 0.00 0.00 0.00 175.76 177.00 2ka7 n ASP 64 N 5.26 3.89 -4.28 0.00 9.92 -1.26 -0.59 116.55 129.49 2ka7 n ASP 64 Ca -0.04 1.07 -0.36 0.00 -0.53 0.00 0.00 54.79 54.94 2ka7 n ASP 64 Cb 0.50 -1.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.28 2ka7 n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ka7 s VAL 65 N 1.03 3.41 -0.47 2.53 1.01 -1.26 -4.93 120.40 121.72 2ka7 s VAL 65 Ca 0.74 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 2ka7 s VAL 65 Cb -0.52 -2.70 0.11 0.00 0.00 0.00 0.00 36.38 33.27 2ka7 s VAL 65 CO 0.34 0.20 0.35 -0.31 0.00 0.00 0.00 175.10 175.68 2ka7 s TYR 66 N 1.43 3.40 -0.11 5.22 2.02 -1.26 -3.47 117.35 124.58 2ka7 s TYR 66 Ca 0.02 -1.78 -0.31 0.00 -0.37 0.00 0.00 57.07 54.64 2ka7 s TYR 66 Cb -0.16 -3.45 -0.15 0.00 -0.40 0.00 0.00 41.96 37.81 2ka7 s TYR 66 CO -0.02 -0.98 0.89 0.00 -1.57 0.00 0.00 175.55 173.88 2ka7 n ALA 67 N 4.94 -2.27 0.13 3.71 0.00 0.47 -4.49 120.51 122.99 2ka7 n ALA 67 Ca -0.09 0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 2ka7 n ALA 67 Cb 0.41 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 2.60 0.00 -4.96 0.00 0.13 -1.83 -2.25 132.00 125.69 2ka7 h PRO 68 Ca -0.36 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 2ka7 h PRO 68 Cb 1.03 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.02 2ka7 h PRO 68 CO 0.54 0.64 -0.58 -0.51 -0.23 0.00 0.00 178.00 177.86 2ka7 s LEU 69 N -6.91 1.78 -0.22 1.56 2.01 -1.26 -4.66 118.68 110.98 2ka7 s LEU 69 Ca 0.01 -1.48 -0.17 0.00 0.01 0.00 0.00 54.13 52.51 2ka7 s LEU 69 Cb 0.10 -0.01 -0.03 0.00 0.01 0.00 0.00 46.19 46.26 2ka7 s LEU 69 CO 0.76 -0.79 0.45 -0.44 1.01 0.00 0.00 176.35 177.34 2ka7 s SER 70 N -3.40 6.44 0.00 2.29 0.01 -1.26 -2.54 113.70 115.23 2ka7 s SER 70 Ca 0.35 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2ka7 s SER 70 Cb 0.06 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2ka7 s SER 70 CO 0.15 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2ka7 n GLY 71 N 4.14 0.94 2.90 3.44 0.00 -0.68 -3.25 105.19 112.68 2ka7 n GLY 71 Ca -0.07 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 1.17 0.09 0.59 1.61 2.20 -1.07 -0.58 119.74 123.75 2ka7 s LYS 72 Ca 0.00 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.27 2ka7 s LYS 72 Cb 0.00 -0.00 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2ka7 s LYS 72 CO 0.00 -0.00 1.29 0.42 -0.36 0.00 0.00 175.35 176.69 2ka7 s ILE 73 N -0.31 2.25 0.00 5.43 -1.09 0.34 -0.39 121.20 127.42 2ka7 s ILE 73 Ca -0.03 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2ka7 s ILE 73 Cb -0.02 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2ka7 s ILE 73 CO -0.00 -0.02 0.00 1.33 -1.23 0.00 0.00 174.94 175.02 2ka7 n VAL 74 N -1.47 0.00 -3.67 2.92 0.24 -0.63 -3.02 118.33 112.71 2ka7 n VAL 74 Ca 0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.29 2ka7 n VAL 74 Cb 0.47 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.71 0.06 7.34 2.12 -1.18 -4.91 118.70 122.84 2ka7 s GLU 75 Ca 0.00 0.76 0.05 0.00 0.36 0.00 0.00 54.97 56.15 2ka7 s GLU 75 Cb 0.00 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 2ka7 s GLU 75 CO 0.00 -0.10 -0.15 0.14 -0.54 0.00 0.00 175.26 174.61 2ka7 s VAL 76 N 0.19 1.20 -1.17 3.70 -7.23 -1.26 -0.66 120.40 115.16 2ka7 s VAL 76 Ca -0.01 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 2ka7 s VAL 76 Cb -0.04 -1.11 0.16 0.00 0.56 0.00 0.00 36.38 35.95 2ka7 s VAL 76 CO 0.01 -0.08 1.41 0.21 -0.31 0.00 0.00 175.10 176.35 2ka7 s ASN 77 N -1.44 6.99 0.38 4.85 2.47 -0.41 -4.83 114.94 122.96 2ka7 s ASN 77 Ca 0.01 -2.82 0.21 0.00 0.42 0.00 0.00 52.86 50.68 2ka7 s ASN 77 Cb -0.09 -2.41 1.13 0.00 -1.45 0.00 0.00 41.25 38.43 2ka7 s ASN 77 CO 0.02 -0.82 1.59 -0.33 -3.72 0.00 0.00 177.10 173.84 2ka7 h GLU 78 N 7.44 0.00 -0.99 0.43 5.08 -1.95 0.43 114.58 125.01 2ka7 h GLU 78 Ca 0.30 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.81 2ka7 h GLU 78 Cb 0.90 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 2ka7 h GLU 78 CO 1.24 0.00 0.62 0.87 -1.00 0.00 0.00 179.01 180.74 2ka7 h LYS 79 N 0.00 0.85 0.00 2.33 1.79 -1.94 -2.92 116.57 116.68 2ka7 h LYS 79 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2ka7 h LYS 79 Cb 0.31 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2ka7 h LYS 79 CO 0.00 0.56 0.00 1.28 -1.08 0.00 0.00 179.45 180.21 2ka7 n LEU 80 N -4.66 0.18 -0.08 2.94 7.99 0.14 0.09 117.00 123.59 2ka7 n LEU 80 Ca 0.20 0.54 -0.10 0.00 -0.01 0.00 0.00 56.01 56.64 2ka7 n LEU 80 Cb 0.45 -0.50 0.04 0.00 -0.11 0.00 0.00 43.42 43.29 2ka7 n LEU 80 CO 0.26 -0.26 0.59 -0.78 -1.51 0.00 0.00 177.39 175.69 2ka7 h ASP 81 N 0.00 0.85 0.00 -1.43 3.58 -1.71 -2.71 116.42 114.99 2ka7 h ASP 81 Ca 0.00 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 56.98 2ka7 h ASP 81 Cb 0.35 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2ka7 h ASP 81 CO 0.00 1.12 -1.56 0.35 -2.88 0.00 0.00 179.24 176.26 2ka7 n THR 82 N -4.06 0.38 -3.13 2.25 -2.24 -0.78 -4.67 114.28 102.04 2ka7 n THR 82 Ca -0.02 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 2ka7 n THR 82 Cb 0.52 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.14 1.79 0.24 -0.78 1.02 0.11 -4.93 120.64 115.95 2ka7 n GLU 83 Ca -0.10 -3.94 0.07 0.00 -0.02 0.00 0.00 57.16 53.17 2ka7 n GLU 83 Cb 0.58 -1.87 0.57 0.00 -0.02 0.00 0.00 31.44 30.71 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 3.18 0.01 0.00 3.49 0.14 -1.62 -2.99 132.00 134.21 2ka7 h PRO 84 Ca 0.11 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.25 2ka7 h PRO 84 Cb 0.79 -0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.92 2ka7 h PRO 84 CO 0.62 0.09 0.00 -1.91 0.14 0.00 0.00 178.00 176.94 2ka7 n GLU 85 N -4.44 0.05 0.18 0.86 2.13 -1.26 -1.36 120.64 116.79 2ka7 n GLU 85 Ca -0.03 0.45 0.13 0.00 0.66 0.00 0.00 57.16 58.37 2ka7 n GLU 85 Cb 0.16 -1.63 0.63 0.00 0.27 0.00 0.00 31.44 30.87 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ka7 h LEU 86 N 0.00 0.00 -1.77 4.31 3.38 -1.92 0.23 115.31 119.54 2ka7 h LEU 86 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ka7 h LEU 86 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2ka7 h LEU 86 CO 0.00 0.00 0.23 0.40 0.09 0.00 0.00 178.44 179.16 2ka7 h ILE 87 N 0.00 0.99 0.16 1.22 2.04 -1.49 0.99 117.51 121.42 2ka7 h ILE 87 Ca 0.00 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2ka7 h ILE 87 Cb 0.17 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2ka7 h ILE 87 CO 0.00 0.05 -0.08 0.78 0.00 0.00 0.00 178.15 178.91 2ka7 h ASN 88 N 0.30 -0.18 0.53 1.72 -0.26 -1.18 -3.29 115.58 113.22 2ka7 h ASN 88 Ca 0.15 -0.34 -0.03 0.00 -0.56 0.00 0.00 56.30 55.52 2ka7 h ASN 88 Cb 0.21 0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2ka7 h ASN 88 CO -0.03 0.39 -0.26 0.11 -1.06 0.00 0.00 177.43 176.59 2ka7 h LYS 89 N -0.90 -0.69 -1.74 0.81 1.79 -1.39 -3.40 116.57 111.05 2ka7 h LYS 89 Ca -0.02 0.05 -0.46 0.00 -2.18 0.00 0.00 60.65 58.04 2ka7 h LYS 89 Cb 0.51 0.16 -0.40 0.00 -1.58 0.00 0.00 32.23 30.91 2ka7 h LYS 89 CO 0.04 -0.39 -1.16 -0.25 -1.08 0.00 0.00 179.45 176.60 2ka7 n ASP 90 N -5.33 1.25 0.12 0.86 8.00 0.32 -4.95 116.55 116.82 2ka7 n ASP 90 Ca -0.12 -2.98 0.09 0.00 0.71 0.00 0.00 54.79 52.50 2ka7 n ASP 90 Cb 0.32 -0.59 0.46 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.15 0.12 0.00 -0.24 -0.04 -1.20 -0.36 135.00 133.43 2ka7 n PRO 91 Ca 0.21 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 64.29 2ka7 n PRO 91 Cb 0.69 -1.84 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.09 0.99 0.00 0.54 1.02 -1.26 -3.79 120.64 116.05 2ka7 n GLU 92 Ca -0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 2ka7 n GLU 92 Cb 0.08 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.77 -0.53 0.10 0.62 0.00 -0.99 -5.01 105.19 100.14 2ka7 n GLY 93 Ca 0.07 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.27 2ka7 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 94 N -0.89 0.62 -0.08 1.61 1.02 -0.94 -3.71 120.64 118.27 2ka7 n GLU 94 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2ka7 n GLU 94 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 95 N 1.36 1.76 3.76 0.62 0.00 0.51 -4.90 105.19 108.30 2ka7 n GLY 95 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 0.20 2.47 0.00 1.61 1.48 -1.24 -4.54 118.94 118.92 2ka7 s TRP 96 Ca 0.00 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 56.61 2ka7 s TRP 96 Cb 0.00 -3.23 0.00 0.00 -1.16 0.00 0.00 33.47 29.08 2ka7 s TRP 96 CO 0.00 -1.91 0.00 1.28 -4.06 0.00 0.00 176.95 172.26 2ka7 n LEU 97 N -2.57 0.08 -3.89 -4.66 4.77 -0.50 -4.68 117.00 105.56 2ka7 n LEU 97 Ca 0.11 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 2ka7 n LEU 97 Cb 0.52 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2ka7 n LEU 97 CO 0.48 -0.35 -0.21 0.72 -1.33 0.00 0.00 177.39 176.70 2ka7 s PHE 98 N -0.70 0.08 0.09 -1.77 -0.12 -1.23 -1.28 117.98 113.04 2ka7 s PHE 98 Ca 0.00 -0.19 -0.00 0.00 -0.05 0.00 0.00 56.93 56.68 2ka7 s PHE 98 Cb 0.00 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2ka7 s PHE 98 CO 0.00 -0.26 0.25 0.15 -0.05 0.00 0.00 175.22 175.31 2ka7 s LYS 99 N -1.35 3.47 0.01 1.99 1.02 0.17 -2.01 119.74 123.03 2ka7 s LYS 99 Ca -0.14 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.46 2ka7 s LYS 99 Cb -0.08 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 2ka7 s LYS 99 CO 0.01 0.57 -0.05 0.00 -0.92 0.00 0.00 175.35 174.96 2ka7 s MET 100 N -2.64 0.39 0.26 1.68 0.23 -0.91 -1.60 119.30 116.71 2ka7 s MET 100 Ca 0.36 -0.31 -0.29 0.00 -1.03 0.00 0.00 55.69 54.41 2ka7 s MET 100 Cb -0.13 -0.31 -0.09 0.00 -1.53 0.00 0.00 34.83 32.77 2ka7 s MET 100 CO 0.28 0.08 1.20 -2.00 -2.03 0.00 0.00 175.02 172.54 2ka7 s GLU 101 N -0.50 4.50 -0.39 3.16 2.12 0.48 -1.51 118.70 126.55 2ka7 s GLU 101 Ca -0.02 1.96 -0.17 0.00 0.36 0.00 0.00 54.97 57.10 2ka7 s GLU 101 Cb -0.04 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2ka7 s GLU 101 CO -0.00 -0.02 0.45 0.96 -0.54 0.00 0.00 175.26 176.11 2ka7 s ILE 102 N -0.74 5.08 0.17 -3.70 -4.36 -0.22 -2.60 121.20 114.82 2ka7 s ILE 102 Ca 0.49 -0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 60.69 2ka7 s ILE 102 Cb -0.35 -3.99 -0.04 0.00 1.25 0.00 0.00 42.46 39.33 2ka7 s ILE 102 CO 0.43 -0.33 1.50 0.28 0.24 0.00 0.00 174.94 177.05 2ka7 h SER 103 N 8.64 0.81 -2.94 4.36 0.02 -1.89 -3.42 113.55 119.13 2ka7 h SER 103 Ca -0.27 -0.39 -0.61 0.00 -0.84 0.00 0.00 61.79 59.67 2ka7 h SER 103 Cb 1.12 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.02 2ka7 h SER 103 CO 0.78 1.14 -0.71 -1.81 -1.14 0.00 0.00 176.83 175.09 2ka7 s ASP 104 N -6.89 3.72 0.00 3.07 1.01 -1.26 -4.92 116.67 111.41 2ka7 s ASP 104 Ca -0.09 -3.52 0.11 0.00 0.71 0.00 0.00 52.55 49.76 2ka7 s ASP 104 Cb 0.11 -1.24 0.53 0.00 1.01 0.00 0.00 42.92 43.33 2ka7 s ASP 104 CO 0.86 -0.13 1.29 1.21 0.21 0.00 0.00 175.17 178.61 2ka7 n GLU 105 N 2.36 0.10 0.03 8.23 2.13 -1.26 -2.51 120.64 129.72 2ka7 n GLU 105 Ca 0.22 0.23 -0.10 0.00 0.66 0.00 0.00 57.16 58.16 2ka7 n GLU 105 Cb 0.39 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.46 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ka7 h GLY 106 N 1.85 0.08 1.90 8.31 0.00 -1.99 -3.20 103.07 110.02 2ka7 h GLY 106 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2ka7 h GLY 106 CO 0.00 0.19 0.00 1.18 0.00 0.00 0.00 176.54 177.91 2ka7 n GLU 107 N -3.28 0.03 0.24 4.80 -0.58 -1.04 -1.86 120.64 118.95 2ka7 n GLU 107 Ca -0.11 0.30 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 2ka7 n GLU 107 Cb 1.01 -1.50 0.60 0.00 -0.57 0.00 0.00 31.44 30.98 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 -0.31 -4.62 3.38 -1.66 -2.00 115.31 110.10 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ka7 h LEU 108 CO 0.00 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 178.06 2ka7 n GLU 109 N -4.08 0.21 0.01 1.13 1.02 -0.78 -2.47 120.64 115.68 2ka7 n GLU 109 Ca -0.02 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 2ka7 n GLU 109 Cb 0.23 -1.81 0.50 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.18 0.18 -4.25 1.62 2.03 -0.75 -4.86 116.55 108.34 2ka7 n ASP 110 Ca 0.04 0.29 -0.30 0.00 0.52 0.00 0.00 54.79 55.35 2ka7 n ASP 110 Cb 0.33 -0.30 0.17 0.00 -0.72 0.00 0.00 41.12 40.60 2ka7 n ASP 110 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ka7 s LEU 111 N -3.09 2.48 -0.03 -2.67 1.43 -1.03 -5.05 118.68 110.71 2ka7 s LEU 111 Ca 0.13 0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 2ka7 s LEU 111 Cb 0.18 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2ka7 s LEU 111 CO 0.58 -2.72 0.60 -0.76 0.23 0.00 0.00 176.35 174.29 2ka7 s LEU 112 N -5.94 4.37 0.98 1.79 1.43 -1.02 -4.95 118.68 115.35 2ka7 s LEU 112 Ca 0.71 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 2ka7 s LEU 112 Cb -0.06 -2.93 0.18 0.00 0.03 0.00 0.00 46.19 43.41 2ka7 s LEU 112 CO 0.53 0.04 1.08 1.51 0.23 0.00 0.00 176.35 179.74 2ka7 s ASP 113 N 0.15 2.64 0.23 2.29 -4.77 -1.26 -1.50 116.67 114.45 2ka7 s ASP 113 Ca 0.32 1.50 -0.01 0.00 -3.30 0.00 0.00 52.55 51.06 2ka7 s ASP 113 Cb -0.18 -2.18 0.24 0.00 -1.09 0.00 0.00 42.92 39.72 2ka7 s ASP 113 CO 0.16 -3.16 1.62 -0.08 0.70 0.00 0.00 175.17 174.41 2ka7 h GLU 114 N -1.91 0.58 -0.53 2.11 4.81 -1.97 0.26 114.58 117.92 2ka7 h GLU 114 Ca -0.53 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.31 2ka7 h GLU 114 Cb 1.30 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2ka7 h GLU 114 CO 0.53 0.85 -0.12 0.37 -0.73 0.00 0.00 179.01 179.91 2ka7 h GLN 115 N 0.49 1.02 -0.10 1.92 4.15 -1.99 -1.00 115.11 119.60 2ka7 h GLN 115 Ca 0.05 -0.39 -0.13 0.00 0.77 0.00 0.00 58.65 58.95 2ka7 h GLN 115 Cb 0.84 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2ka7 h GLN 115 CO 0.07 1.08 -0.52 0.00 -1.93 0.00 0.00 178.83 177.52 2ka7 h ALA 116 N 0.91 0.92 -0.49 3.38 0.00 -1.71 -0.41 119.26 121.87 2ka7 h ALA 116 Ca 0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2ka7 h ALA 116 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ka7 h ALA 116 CO 0.05 0.67 0.22 -0.92 0.00 0.00 0.00 179.25 179.27 2ka7 h TYR 117 N 0.22 0.73 -0.41 0.00 3.20 -0.38 -1.19 116.97 119.14 2ka7 h TYR 117 Ca 0.01 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2ka7 h TYR 117 Cb 1.00 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2ka7 h TYR 117 CO 0.02 0.60 0.17 0.37 -1.64 0.00 0.00 178.16 177.68 2ka7 h GLN 118 N 0.66 0.34 -0.36 1.82 4.15 -0.90 -0.76 115.11 120.05 2ka7 h GLN 118 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2ka7 h GLN 118 Cb 0.16 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2ka7 h GLN 118 CO -0.02 0.22 0.23 1.49 -1.93 0.00 0.00 178.83 178.82 2ka7 h GLU 119 N 0.35 0.48 -0.93 1.69 4.81 -0.79 -1.91 114.58 118.28 2ka7 h GLU 119 Ca 0.19 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2ka7 h GLU 119 Cb 0.14 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2ka7 h GLU 119 CO -0.17 0.34 0.62 0.35 -0.73 0.00 0.00 179.01 179.42 2ka7 h PHE 120 N 0.48 1.16 0.00 0.92 3.57 -1.03 -2.00 116.94 120.04 2ka7 h PHE 120 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2ka7 h PHE 120 Cb -0.03 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.32 2ka7 h PHE 120 CO -0.05 0.72 -0.11 0.00 -2.23 0.00 0.00 178.31 176.65 2ka7 h ALA 122 N 1.89 0.78 0.00 0.00 0.00 -0.78 -3.25 119.26 117.91 2ka7 h ALA 122 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ka7 h ALA 122 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ka7 h ALA 122 CO 0.01 0.65 0.00 1.04 0.00 0.00 0.00 179.25 180.96 2ka7 n GLN 123 N -4.03 0.61 0.00 0.00 6.02 -0.56 -5.14 117.38 114.28 2ka7 n GLN 123 Ca -0.02 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2ka7 n GLN 123 Cb 0.53 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.32 2ka7 n GLN 123 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44