#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 -1.78 -3.98 2.12 4.81 -1.23 -5.05 118.16 113.05 2ka7 n LYS 2 Ca 0.00 1.56 -0.09 0.00 -0.87 0.00 0.00 58.31 58.91 2ka7 n LYS 2 Cb 0.00 -1.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.56 2ka7 n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka7 s MET 3 N -0.10 1.45 -0.13 1.64 0.23 0.20 -5.00 119.30 117.59 2ka7 s MET 3 Ca -0.04 -1.23 -0.04 0.00 -1.03 0.00 0.00 55.69 53.35 2ka7 s MET 3 Cb 0.00 0.45 0.06 0.00 -1.53 0.00 0.00 34.83 33.81 2ka7 s MET 3 CO 0.11 -0.59 0.15 0.21 -2.03 0.00 0.00 175.02 172.88 2ka7 s LYS 4 N -4.01 0.07 0.55 3.16 2.20 -1.26 -1.20 119.74 119.25 2ka7 s LYS 4 Ca 0.22 0.29 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 2ka7 s LYS 4 Cb 0.00 -0.93 0.03 0.00 -1.51 0.00 0.00 37.83 35.43 2ka7 s LYS 4 CO 0.07 -0.49 0.29 0.15 -0.36 0.00 0.00 175.35 175.00 2ka7 s LYS 5 N 2.26 2.23 0.08 4.03 1.02 -0.86 -4.69 119.74 123.80 2ka7 s LYS 5 Ca 0.04 -2.19 -0.01 0.00 0.02 0.00 0.00 55.97 53.83 2ka7 s LYS 5 Cb -0.14 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2ka7 s LYS 5 CO -0.08 -0.60 -0.01 0.71 -0.92 0.00 0.00 175.35 174.46 2ka7 s TYR 6 N -2.84 0.64 0.39 3.18 1.51 -0.79 -0.56 117.35 118.88 2ka7 s TYR 6 Ca 0.23 -1.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.21 2ka7 s TYR 6 Cb -0.02 -0.42 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 2ka7 s TYR 6 CO 0.14 -0.41 0.06 0.95 -1.11 0.00 0.00 175.55 175.18 2ka7 s THR 7 N -3.94 1.20 -1.03 -0.71 -4.23 -0.48 -2.12 115.64 104.31 2ka7 s THR 7 Ca 0.12 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 2ka7 s THR 7 Cb 0.08 -2.62 0.39 0.00 1.34 0.00 0.00 72.50 71.69 2ka7 s THR 7 CO -0.06 0.00 1.17 0.29 -0.54 0.00 0.00 174.62 175.47 2ka7 n LYS 8 N -0.89 2.63 -3.02 3.99 4.76 -1.26 -3.66 118.16 120.71 2ka7 n LYS 8 Ca -0.07 -1.50 -0.18 0.00 -2.87 0.00 0.00 58.31 53.69 2ka7 n LYS 8 Cb 0.66 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2ka7 n LYS 8 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2ka7 n THR 9 N 0.39 0.73 -4.06 -0.18 5.66 -1.26 -5.01 114.28 110.55 2ka7 n THR 9 Ca 0.13 -4.51 -0.31 0.00 -3.05 0.00 0.00 64.05 56.31 2ka7 n THR 9 Cb 0.60 -0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 2ka7 n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ka7 n HIS 10 N 0.09 -1.50 -4.21 1.09 1.44 -1.24 -4.77 115.22 106.12 2ka7 n HIS 10 Ca 0.24 0.55 -0.20 0.00 -2.01 0.00 0.00 57.72 56.30 2ka7 n HIS 10 Cb 0.64 -3.24 -0.12 0.00 0.12 0.00 0.00 29.99 27.39 2ka7 n HIS 10 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 2ka7 s GLU 11 N -6.91 0.91 0.30 -1.40 2.12 -1.26 -1.57 118.70 110.89 2ka7 s GLU 11 Ca 0.14 -1.02 0.10 0.00 0.36 0.00 0.00 54.97 54.55 2ka7 s GLU 11 Cb -0.06 -1.00 -0.06 0.00 0.26 0.00 0.00 34.13 33.27 2ka7 s GLU 11 CO 0.94 0.23 -0.14 1.67 -0.54 0.00 0.00 175.26 177.42 2ka7 s TRP 12 N -1.24 2.24 -0.05 5.30 1.48 -0.19 -1.38 118.94 125.09 2ka7 s TRP 12 Ca 0.01 -0.47 -0.02 0.00 -1.06 0.00 0.00 56.10 54.56 2ka7 s TRP 12 Cb -0.10 -1.14 0.04 0.00 -1.16 0.00 0.00 33.47 31.11 2ka7 s TRP 12 CO 0.03 0.58 0.10 0.08 -4.06 0.00 0.00 176.95 173.67 2ka7 s VAL 13 N -2.66 -0.11 -0.74 -0.66 1.01 0.28 -2.53 120.40 114.99 2ka7 s VAL 13 Ca 0.30 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2ka7 s VAL 13 Cb -0.01 -0.19 0.22 0.00 0.00 0.00 0.00 36.38 36.41 2ka7 s VAL 13 CO 0.14 0.11 0.71 -1.20 0.00 0.00 0.00 175.10 174.87 2ka7 n SER 14 N 4.63 3.76 -4.55 3.32 7.64 0.12 -2.03 113.62 126.51 2ka7 n SER 14 Ca -0.18 -3.31 -0.38 0.00 1.01 0.00 0.00 58.87 56.01 2ka7 n SER 14 Cb 0.50 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.95 3.54 -0.16 0.44 1.09 -0.34 -2.08 121.20 121.73 2ka7 s ILE 15 Ca 0.32 0.08 -0.14 0.00 -1.10 0.00 0.00 60.65 59.81 2ka7 s ILE 15 Cb 0.03 -4.37 -0.09 0.00 -1.06 0.00 0.00 42.46 36.97 2ka7 s ILE 15 CO -0.08 -1.32 0.01 1.05 -0.10 0.00 0.00 174.94 174.50 2ka7 h GLU 16 N 12.37 0.00 0.00 2.79 4.11 -1.65 0.58 114.58 132.78 2ka7 h GLU 16 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2ka7 h GLU 16 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2ka7 h GLU 16 CO 1.26 0.40 0.00 -3.47 0.07 0.00 0.00 179.01 177.27 2ka7 n ASP 17 N -4.56 0.00 0.00 3.06 2.03 -1.26 -3.50 116.55 112.32 2ka7 n ASP 17 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2ka7 n ASP 17 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.58 0.13 -4.62 -0.67 5.02 -1.26 -4.96 118.16 110.23 2ka7 n LYS 18 Ca 0.00 -0.62 -0.23 0.00 -2.02 0.00 0.00 58.31 55.44 2ka7 n LYS 18 Cb 0.00 -0.86 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.21 1.36 -0.29 -0.18 1.01 -1.26 -1.65 120.40 119.18 2ka7 s VAL 19 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2ka7 s VAL 19 Cb 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.26 2ka7 s VAL 19 CO 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 175.10 175.27 2ka7 s ALA 20 N -0.65 2.71 0.41 5.51 0.00 0.20 -2.14 121.76 127.80 2ka7 s ALA 20 Ca 0.05 -1.84 -0.25 0.00 0.00 0.00 0.00 51.96 49.92 2ka7 s ALA 20 Cb -0.08 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 21.18 2ka7 s ALA 20 CO 0.01 -1.28 1.21 0.99 0.00 0.00 0.00 175.76 176.69 2ka7 s THR 21 N 1.15 2.96 0.15 0.00 2.01 -0.88 -2.37 115.64 118.66 2ka7 s THR 21 Ca -0.06 0.82 0.09 0.00 0.31 0.00 0.00 61.69 62.85 2ka7 s THR 21 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2ka7 s THR 21 CO -0.04 0.08 -0.14 0.54 -0.69 0.00 0.00 174.62 174.38 2ka7 s VAL 22 N -1.37 3.03 0.17 3.82 0.11 0.40 0.15 120.40 126.71 2ka7 s VAL 22 Ca 0.58 -1.60 -0.23 0.00 -2.93 0.00 0.00 61.98 57.80 2ka7 s VAL 22 Cb -0.33 -2.45 0.07 0.00 -1.53 0.00 0.00 36.38 32.13 2ka7 s VAL 22 CO 0.42 -0.02 0.62 -0.83 -3.33 0.00 0.00 175.10 171.96 2ka7 s GLY 23 N -2.52 -0.56 0.48 6.54 0.00 -1.05 0.45 107.32 110.66 2ka7 s GLY 23 Ca 0.22 0.42 -0.21 0.00 0.00 0.00 0.00 44.72 45.15 2ka7 s GLY 23 CO 0.13 0.14 1.07 -0.26 0.00 0.00 0.00 173.10 174.17 2ka7 s ILE 24 N -3.75 3.60 0.89 0.90 -4.36 -1.26 -1.02 121.20 116.19 2ka7 s ILE 24 Ca 0.02 1.04 -0.12 0.00 -0.26 0.00 0.00 60.65 61.33 2ka7 s ILE 24 Cb -0.02 -3.44 0.13 0.00 1.25 0.00 0.00 42.46 40.38 2ka7 s ILE 24 CO -0.11 -0.17 1.15 0.42 0.24 0.00 0.00 174.94 176.47 2ka7 s THR 25 N -1.86 1.99 0.38 8.37 -4.23 -0.61 -4.50 115.64 115.18 2ka7 s THR 25 Ca 0.67 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.25 2ka7 s THR 25 Cb -0.20 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.02 2ka7 s THR 25 CO 0.23 0.00 1.95 -1.13 -0.54 0.00 0.00 174.62 175.14 2ka7 h ASN 26 N -1.40 0.41 -0.06 3.99 -0.73 -1.91 -1.90 115.58 113.98 2ka7 h ASN 26 Ca -0.49 -0.05 0.02 0.00 1.87 0.00 0.00 56.30 57.64 2ka7 h ASN 26 Cb 1.33 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.81 2ka7 h ASN 26 CO 0.62 0.43 0.07 -0.74 -0.37 0.00 0.00 177.43 177.44 2ka7 h HIS 27 N 0.44 0.00 -0.04 0.67 2.76 -1.95 -1.84 115.15 115.19 2ka7 h HIS 27 Ca 0.10 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2ka7 h HIS 27 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2ka7 h HIS 27 CO 0.01 0.00 -0.18 0.00 -1.30 0.00 0.00 177.93 176.46 2ka7 h ALA 28 N 1.92 0.08 0.00 5.26 0.00 -1.67 -3.25 119.26 121.60 2ka7 h ALA 28 Ca 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2ka7 h ALA 28 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ka7 h ALA 28 CO -0.00 0.03 -0.17 -0.56 0.00 0.00 0.00 179.25 178.55 2ka7 h GLN 29 N -0.37 0.00 0.00 0.00 -0.00 -1.42 -2.52 115.11 110.79 2ka7 h GLN 29 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2ka7 h GLN 29 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.31 2ka7 h GLN 29 CO 0.04 0.17 -0.14 0.93 -0.00 0.00 0.00 178.83 179.83 2ka7 h GLU 30 N 0.00 0.00 0.00 0.06 5.08 -1.42 0.61 114.58 118.91 2ka7 h GLU 30 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2ka7 h GLU 30 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2ka7 h GLU 30 CO 0.02 0.14 -0.80 -0.56 -1.00 0.00 0.00 179.01 176.82 2ka7 h GLN 31 N 0.00 0.00 -0.52 2.33 3.07 -1.54 -3.40 115.11 115.05 2ka7 h GLN 31 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2ka7 h GLN 31 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.82 2ka7 h GLN 31 CO 0.02 0.53 0.23 -0.07 0.09 0.00 0.00 178.83 179.63 2ka7 h LEU 32 N -1.00 0.70 0.00 0.06 3.38 -1.46 -3.47 115.31 113.52 2ka7 h LEU 32 Ca -0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ka7 h LEU 32 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2ka7 h LEU 32 CO -0.10 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2ka7 n GLY 33 N -0.86 2.13 3.55 0.83 0.00 0.20 -4.62 105.19 106.44 2ka7 n GLY 33 Ca 0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 4.78 1.03 1.61 1.11 -1.26 -4.85 116.67 115.09 2ka7 s ASP 34 Ca 0.00 0.26 -0.15 0.00 0.18 0.00 0.00 52.55 52.84 2ka7 s ASP 34 Cb 0.00 -2.53 0.21 0.00 1.07 0.00 0.00 42.92 41.67 2ka7 s ASP 34 CO 0.00 -2.86 1.16 0.52 1.18 0.00 0.00 175.17 175.18 2ka7 n VAL 35 N 7.84 0.00 0.00 -1.27 0.31 -1.26 -2.62 118.33 121.33 2ka7 n VAL 35 Ca 0.34 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2ka7 n VAL 35 Cb 0.50 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2ka7 n VAL 35 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ka7 n VAL 36 N -3.78 0.00 -3.51 2.52 3.14 -1.26 -4.56 118.33 110.88 2ka7 n VAL 36 Ca 0.15 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.43 2ka7 n VAL 36 Cb 0.52 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.27 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2ka7 s TYR 37 N -0.72 -0.39 0.02 1.45 5.04 -1.25 -4.81 117.35 116.69 2ka7 s TYR 37 Ca 0.00 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 2ka7 s TYR 37 Cb 0.00 0.52 -0.02 0.00 0.35 0.00 0.00 41.96 42.81 2ka7 s TYR 37 CO 0.00 -0.54 -0.04 0.14 -1.34 0.00 0.00 175.55 173.77 2ka7 s VAL 38 N -2.69 0.27 0.19 3.14 -7.23 -1.26 -3.45 120.40 109.37 2ka7 s VAL 38 Ca 0.02 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 2ka7 s VAL 38 Cb -0.01 -0.34 -0.07 0.00 0.56 0.00 0.00 36.38 36.52 2ka7 s VAL 38 CO -0.06 -0.29 0.54 -0.62 -0.31 0.00 0.00 175.10 174.36 2ka7 s ASP 39 N -1.07 6.69 0.01 4.85 2.15 0.28 -4.83 116.67 124.75 2ka7 s ASP 39 Ca -0.09 0.96 0.01 0.00 0.43 0.00 0.00 52.55 53.86 2ka7 s ASP 39 Cb -0.07 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2ka7 s ASP 39 CO -0.00 -0.00 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.20 2ka7 s LEU 40 N -2.49 2.08 0.93 -1.34 2.01 -1.26 -3.82 118.68 114.78 2ka7 s LEU 40 Ca 0.43 -0.19 -0.15 0.00 0.01 0.00 0.00 54.13 54.23 2ka7 s LEU 40 Cb -0.13 -0.12 0.17 0.00 0.01 0.00 0.00 46.19 46.12 2ka7 s LEU 40 CO 0.20 -0.05 1.27 -2.16 1.01 0.00 0.00 176.35 176.62 2ka7 s PRO 41 N -0.50 0.95 0.24 1.29 0.04 -1.05 -4.97 135.00 131.00 2ka7 s PRO 41 Ca -0.03 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 60.64 2ka7 s PRO 41 Cb -0.04 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2ka7 s PRO 41 CO -0.00 -2.23 0.65 -2.00 0.04 0.00 0.00 177.00 173.46 2ka7 s GLU 42 N -5.76 4.01 0.00 4.56 2.12 -1.26 -4.93 118.70 117.44 2ka7 s GLU 42 Ca 0.70 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.62 2ka7 s GLU 42 Cb -0.06 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.64 2ka7 s GLU 42 CO 0.52 0.31 0.19 1.55 -0.54 0.00 0.00 175.26 177.30 2ka7 n VAL 43 N 0.18 0.00 -1.44 3.70 3.14 -1.26 -1.36 118.33 121.29 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 0.52 -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 0.16 -0.42 3.74 7.55 0.00 -1.03 -3.97 105.19 111.22 2ka7 n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.63 0.31 1.61 3.52 -0.46 -4.68 118.95 123.88 2ka7 s ARG 45 Ca 0.00 1.66 -0.27 0.00 -0.13 0.00 0.00 55.73 56.99 2ka7 s ARG 45 Cb 0.00 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 2ka7 s ARG 45 CO 0.00 0.13 0.99 -1.21 -0.81 0.00 0.00 175.30 174.40 2ka7 s GLU 46 N -0.38 4.57 0.28 5.12 2.02 -1.26 -0.41 118.70 128.63 2ka7 s GLU 46 Ca 0.48 1.48 0.04 0.00 0.02 0.00 0.00 54.97 56.99 2ka7 s GLU 46 Cb -0.28 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2ka7 s GLU 46 CO 0.34 0.24 0.14 1.33 0.02 0.00 0.00 175.26 177.33 2ka7 n VAL 47 N 0.74 0.00 -4.26 2.63 0.24 0.17 -4.94 118.33 112.90 2ka7 n VAL 47 Ca 0.01 -1.77 -0.15 0.00 -2.04 0.00 0.00 64.34 60.40 2ka7 n VAL 47 Cb 0.48 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 2ka7 n VAL 47 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ka7 s LYS 48 N -3.09 1.10 0.00 7.34 1.02 -1.25 -3.18 119.74 121.68 2ka7 s LYS 48 Ca 0.20 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.71 2ka7 s LYS 48 Cb 0.01 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 2ka7 s LYS 48 CO 0.14 0.05 0.40 0.36 -0.92 0.00 0.00 175.35 175.38 2ka7 n LYS 49 N -0.23 0.40 -3.15 1.68 -0.00 -1.17 -3.30 118.16 112.40 2ka7 n LYS 49 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.26 2ka7 n LYS 49 Cb 0.61 -1.01 -0.00 0.00 -0.00 0.00 0.00 35.03 34.63 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2ka7 s GLY 50 N -1.57 -1.12 -0.16 2.58 0.00 -0.94 -4.41 107.32 101.70 2ka7 s GLY 50 Ca 0.00 1.45 -0.10 0.00 0.00 0.00 0.00 44.72 46.07 2ka7 s GLY 50 CO 0.00 3.69 0.39 1.85 0.00 0.00 0.00 173.10 179.03 2ka7 s GLU 51 N 2.86 0.38 0.00 2.90 2.56 -1.21 -4.79 118.70 121.41 2ka7 s GLU 51 Ca 0.14 0.72 0.00 0.00 0.00 0.00 0.00 54.97 55.83 2ka7 s GLU 51 Cb -0.10 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.04 2ka7 s GLU 51 CO -0.24 -0.14 0.33 0.28 -0.56 0.00 0.00 175.26 174.93 2ka7 n VAL 52 N 4.02 0.00 0.24 3.70 0.31 -1.25 -0.40 118.33 124.94 2ka7 n VAL 52 Ca -0.22 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.13 2ka7 n VAL 52 Cb 0.55 -0.25 0.11 0.00 -0.91 0.00 0.00 33.84 33.35 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 53 N -0.01 0.03 -3.13 2.52 0.24 -1.24 -2.75 118.33 113.99 2ka7 n VAL 53 Ca 0.00 0.01 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 2ka7 n VAL 53 Cb 0.08 -0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.01 1.65 -0.67 2.33 0.00 -1.25 -2.53 120.51 119.03 2ka7 n ALA 54 Ca 0.03 -3.16 -0.31 0.00 0.00 0.00 0.00 53.44 50.00 2ka7 n ALA 54 Cb 0.01 -0.96 0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 0.30 -1.14 -4.07 0.00 7.64 -1.11 -3.19 113.62 112.04 2ka7 n SER 55 Ca 0.23 0.21 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 2ka7 n SER 55 Cb 0.66 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.47 0.80 0.33 0.44 1.01 0.01 -0.56 121.20 120.77 2ka7 s ILE 56 Ca 0.63 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.57 2ka7 s ILE 56 Cb -0.22 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 2ka7 s ILE 56 CO 0.63 -0.03 -0.06 -1.61 0.00 0.00 0.00 174.94 173.87 2ka7 s GLU 57 N -0.91 1.74 0.26 2.79 2.02 -1.22 -1.92 118.70 121.45 2ka7 s GLU 57 Ca -0.01 -1.91 0.06 0.00 0.02 0.00 0.00 54.97 53.13 2ka7 s GLU 57 Cb -0.07 -1.47 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 2ka7 s GLU 57 CO 0.01 0.06 0.21 -1.13 0.02 0.00 0.00 175.26 174.43 2ka7 n SER 58 N -0.74 -0.48 0.15 -0.19 3.41 0.89 -3.97 113.62 112.69 2ka7 n SER 58 Ca -0.05 -2.69 0.19 0.00 -0.26 0.00 0.00 58.87 56.06 2ka7 n SER 58 Cb 0.64 1.27 0.71 0.00 -0.26 0.00 0.00 64.21 66.57 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 1.81 0.22 0.00 -3.33 -1.51 -1.78 -3.26 116.25 108.40 2ka7 h VAL 59 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2ka7 h VAL 59 Cb 0.92 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2ka7 h VAL 59 CO 0.27 0.00 -0.02 2.29 -1.23 0.00 0.00 177.57 178.88 2ka7 n LYS 60 N -3.39 0.00 -4.20 5.19 2.85 -1.26 -5.16 118.16 112.19 2ka7 n LYS 60 Ca 0.06 -0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.11 2ka7 n LYS 60 Cb 0.64 -0.06 -0.10 0.00 -0.65 0.00 0.00 35.03 34.86 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 1.15 0.16 0.58 0.00 -1.23 -5.18 121.76 117.23 2ka7 s ALA 61 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.31 2ka7 s ALA 61 Cb 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2ka7 s ALA 61 CO 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 175.76 175.24 2ka7 s ALA 62 N -4.09 1.18 -0.22 0.00 0.00 -1.26 -0.08 121.76 117.29 2ka7 s ALA 62 Ca 0.35 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2ka7 s ALA 62 Cb 0.07 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.98 2ka7 s ALA 62 CO 0.10 -0.39 0.46 0.00 0.00 0.00 0.00 175.76 175.93 2ka7 s ALA 63 N -3.81 -1.34 -0.14 0.00 0.00 -0.81 -4.97 121.76 110.70 2ka7 s ALA 63 Ca 0.24 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 2ka7 s ALA 63 Cb 0.07 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2ka7 s ALA 63 CO 0.03 -0.87 1.66 -0.51 0.00 0.00 0.00 175.76 176.08 2ka7 s ASP 64 N 2.66 6.48 -0.20 0.00 1.11 -1.26 -0.81 116.67 124.65 2ka7 s ASP 64 Ca 0.00 1.94 -0.27 0.00 0.18 0.00 0.00 52.55 54.40 2ka7 s ASP 64 Cb -0.13 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.33 2ka7 s ASP 64 CO -0.14 -1.13 0.92 -0.69 1.18 0.00 0.00 175.17 175.31 2ka7 s VAL 65 N 4.78 4.79 -0.43 -1.27 1.01 -1.19 -4.97 120.40 123.12 2ka7 s VAL 65 Ca 0.74 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 64.29 2ka7 s VAL 65 Cb -0.29 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2ka7 s VAL 65 CO 0.30 -0.07 0.75 -0.31 0.00 0.00 0.00 175.10 175.76 2ka7 s TYR 66 N 2.67 3.04 0.83 5.22 2.02 -1.26 -3.65 117.35 126.22 2ka7 s TYR 66 Ca 0.40 0.21 -0.17 0.00 -0.37 0.00 0.00 57.07 57.15 2ka7 s TYR 66 Cb -0.16 -3.53 -0.12 0.00 -0.40 0.00 0.00 41.96 37.75 2ka7 s TYR 66 CO 0.09 -0.90 -0.37 0.00 -1.57 0.00 0.00 175.55 172.81 2ka7 n ALA 67 N 6.54 -4.17 -0.08 3.71 0.00 0.46 -4.52 120.51 122.46 2ka7 n ALA 67 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 2ka7 n ALA 67 Cb 0.48 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 2ka7 n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ka7 n PRO 68 N 1.51 0.68 -4.27 0.00 -0.04 -1.26 -2.21 135.00 129.40 2ka7 n PRO 68 Ca 0.03 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2ka7 n PRO 68 Cb 0.53 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2ka7 n PRO 68 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ka7 s LEU 69 N -6.03 1.49 -1.03 1.53 2.01 -1.26 -4.56 118.68 110.82 2ka7 s LEU 69 Ca -0.16 -1.38 -0.02 0.00 0.01 0.00 0.00 54.13 52.59 2ka7 s LEU 69 Cb 0.07 0.15 0.31 0.00 0.01 0.00 0.00 46.19 46.73 2ka7 s LEU 69 CO 0.77 -0.76 1.59 -1.20 1.01 0.00 0.00 176.35 177.76 2ka7 n SER 70 N -0.39 6.69 -1.09 2.29 7.64 -1.26 -3.05 113.62 124.45 2ka7 n SER 70 Ca 0.00 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.34 2ka7 n SER 70 Cb 0.66 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2ka7 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka7 n GLY 71 N 0.67 5.57 3.18 0.23 0.00 -1.19 -4.48 105.19 109.17 2ka7 n GLY 71 Ca 0.35 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.75 3.05 0.43 1.61 2.20 -0.48 -0.65 119.74 125.16 2ka7 s LYS 72 Ca 0.00 -0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 2ka7 s LYS 72 Cb 0.00 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.71 2ka7 s LYS 72 CO 0.00 -0.06 1.45 -0.89 -0.36 0.00 0.00 175.35 175.48 2ka7 n ILE 73 N 4.23 2.59 -0.82 5.43 2.08 0.45 0.34 119.36 133.66 2ka7 n ILE 73 Ca -0.20 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.61 2ka7 n ILE 73 Cb 0.51 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 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 -0.04 0.00 -3.68 1.39 0.24 -0.33 -2.46 118.33 113.45 2ka7 n VAL 74 Ca 0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 2ka7 n VAL 74 Cb 0.41 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.35 -0.08 7.34 2.12 -0.89 -4.93 118.70 123.62 2ka7 s GLU 75 Ca 0.00 -0.79 -0.14 0.00 0.36 0.00 0.00 54.97 54.41 2ka7 s GLU 75 Cb 0.00 0.53 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2ka7 s GLU 75 CO 0.00 -0.58 0.34 0.14 -0.54 0.00 0.00 175.26 174.62 2ka7 s VAL 76 N -3.85 0.02 -1.13 3.70 -7.23 -1.26 -0.62 120.40 110.03 2ka7 s VAL 76 Ca 0.07 -0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 2ka7 s VAL 76 Cb -0.01 -0.55 0.22 0.00 0.56 0.00 0.00 36.38 36.60 2ka7 s VAL 76 CO -0.05 -0.11 1.23 0.21 -0.31 0.00 0.00 175.10 176.07 2ka7 s ASN 77 N -0.45 7.16 0.10 4.85 2.47 -0.19 -4.83 114.94 124.05 2ka7 s ASN 77 Ca -0.06 -3.22 0.11 0.00 0.42 0.00 0.00 52.86 50.11 2ka7 s ASN 77 Cb -0.04 -2.30 0.51 0.00 -1.45 0.00 0.00 41.25 37.98 2ka7 s ASN 77 CO 0.02 -0.53 1.34 -0.62 -3.72 0.00 0.00 177.10 173.58 2ka7 n GLU 78 N 4.20 0.05 0.28 0.43 1.02 -1.26 -1.24 120.64 124.11 2ka7 n GLU 78 Ca 0.29 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 58.01 2ka7 n GLU 78 Cb 0.42 -1.64 0.83 0.00 -0.02 0.00 0.00 31.44 31.02 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ka7 h LYS 79 N 0.00 0.00 0.00 3.49 1.79 -1.96 -1.86 116.57 118.04 2ka7 h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ka7 h LYS 79 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2ka7 h LYS 79 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2ka7 n LEU 80 N -4.06 0.00 -0.00 2.94 7.99 -0.37 -0.25 117.00 123.24 2ka7 n LEU 80 Ca -0.03 0.43 0.15 0.00 -0.01 0.00 0.00 56.01 56.56 2ka7 n LEU 80 Cb 0.11 -0.43 0.79 0.00 -0.11 0.00 0.00 43.42 43.77 2ka7 n LEU 80 CO 0.30 -0.05 1.03 -0.67 -1.51 0.00 0.00 177.39 176.49 2ka7 n ASP 81 N -1.43 0.01 0.00 -1.43 2.03 -0.70 -2.95 116.55 112.07 2ka7 n ASP 81 Ca 0.08 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2ka7 n ASP 81 Cb 0.28 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2ka7 n ASP 81 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2ka7 n THR 82 N -1.24 0.00 -3.20 5.18 -2.24 -0.87 -4.91 114.28 107.01 2ka7 n THR 82 Ca 0.16 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 2ka7 n THR 82 Cb 0.22 -0.03 -0.06 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 -0.42 0.89 0.30 -0.78 -0.58 0.65 -4.95 120.64 115.76 2ka7 n GLU 83 Ca 0.00 -3.35 0.20 0.00 -0.42 0.00 0.00 57.16 53.59 2ka7 n GLU 83 Cb 0.03 -1.39 0.91 0.00 -0.57 0.00 0.00 31.44 30.42 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2ka7 h PRO 84 N 3.75 0.00 0.00 3.49 0.13 -1.70 -2.08 132.00 135.59 2ka7 h PRO 84 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2ka7 h PRO 84 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2ka7 h PRO 84 CO 0.49 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.20 2ka7 h GLU 85 N 0.00 0.00 0.00 0.86 5.08 -1.89 -2.99 114.58 115.63 2ka7 h GLU 85 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka7 h GLU 85 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ka7 h GLU 85 CO 0.00 0.00 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 2ka7 h LEU 86 N 0.00 0.00 -1.78 1.33 3.38 -1.77 0.87 115.31 117.35 2ka7 h LEU 86 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ka7 h LEU 86 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2ka7 h LEU 86 CO 0.00 0.00 0.17 0.40 0.09 0.00 0.00 178.44 179.10 2ka7 h ILE 87 N 0.00 1.04 -0.16 1.22 2.04 -1.78 0.29 117.51 120.17 2ka7 h ILE 87 Ca -0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2ka7 h ILE 87 Cb 0.05 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2ka7 h ILE 87 CO 0.00 0.06 0.00 0.78 0.00 0.00 0.00 178.15 178.99 2ka7 h ASN 88 N 0.31 0.27 -0.10 1.72 2.35 -1.07 -2.72 115.58 116.33 2ka7 h ASN 88 Ca 0.10 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 2ka7 h ASN 88 Cb 0.01 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2ka7 h ASN 88 CO -0.02 0.51 -0.10 0.11 -1.65 0.00 0.00 177.43 176.28 2ka7 h LYS 89 N 0.02 0.25 -1.41 0.81 1.57 -1.24 -3.40 116.57 113.17 2ka7 h LYS 89 Ca 0.04 -0.13 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 2ka7 h LYS 89 Cb 0.37 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.45 2ka7 h LYS 89 CO 0.01 0.66 -0.61 0.34 -0.57 0.00 0.00 179.45 179.28 2ka7 s ASP 90 N -5.99 -0.52 0.63 0.86 -1.08 -0.03 -5.01 116.67 105.53 2ka7 s ASP 90 Ca -0.15 -1.82 0.40 0.00 -0.52 0.00 0.00 52.55 50.47 2ka7 s ASP 90 Cb 0.04 1.26 2.08 0.00 -1.46 0.00 0.00 42.92 44.83 2ka7 s ASP 90 CO 0.73 -0.12 2.25 1.55 0.52 0.00 0.00 175.17 180.10 2ka7 h PRO 91 N 5.76 0.00 -0.24 4.34 0.13 -1.61 0.54 132.00 140.92 2ka7 h PRO 91 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2ka7 h PRO 91 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2ka7 h PRO 91 CO 0.12 0.01 -0.01 0.39 -0.23 0.00 0.00 178.00 178.28 2ka7 n GLU 92 N -3.16 2.51 0.00 0.86 1.02 -1.26 -4.37 120.64 116.23 2ka7 n GLU 92 Ca -0.02 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 2ka7 n GLU 92 Cb 0.14 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 -0.75 1.65 0.14 0.62 0.00 -0.68 -4.98 105.19 101.20 2ka7 n GLY 93 Ca 0.23 -0.17 0.10 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 -1.71 1.61 4.39 -1.89 -3.35 114.58 113.63 2ka7 h GLU 94 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ka7 h GLU 94 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ka7 h GLU 94 CO 0.00 0.06 0.00 0.41 -1.16 0.00 0.00 179.01 178.32 2ka7 n GLY 95 N 1.18 2.31 3.76 -3.84 0.00 0.10 -4.91 105.19 103.78 2ka7 n GLY 95 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.04 2.49 -0.04 1.61 1.48 -1.26 -4.55 118.94 118.71 2ka7 s TRP 96 Ca 0.00 1.57 -0.04 0.00 -1.06 0.00 0.00 56.10 56.57 2ka7 s TRP 96 Cb 0.00 -3.15 -0.01 0.00 -1.16 0.00 0.00 33.47 29.15 2ka7 s TRP 96 CO 0.00 -1.88 -0.08 1.28 -4.06 0.00 0.00 176.95 172.21 2ka7 n LEU 97 N -3.05 0.49 0.00 -4.66 4.77 0.17 -4.69 117.00 110.03 2ka7 n LEU 97 Ca 0.10 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 2ka7 n LEU 97 Cb 0.52 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2ka7 n LEU 97 CO 0.50 -0.45 -0.10 2.22 -1.33 0.00 0.00 177.39 178.23 2ka7 n PHE 98 N -3.00 -0.11 -4.09 -1.77 1.16 -1.21 -1.02 117.46 107.44 2ka7 n PHE 98 Ca -0.03 -1.94 -0.15 0.00 -1.87 0.00 0.00 57.45 53.46 2ka7 n PHE 98 Cb 0.13 0.06 -0.14 0.00 -1.61 0.00 0.00 39.48 37.92 2ka7 n PHE 98 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2ka7 s LYS 99 N -3.08 0.35 -0.03 3.97 1.02 0.21 -0.45 119.74 121.73 2ka7 s LYS 99 Ca 0.19 -0.24 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 2ka7 s LYS 99 Cb 0.01 -0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.03 2ka7 s LYS 99 CO 0.14 0.08 0.07 0.00 -0.92 0.00 0.00 175.35 174.71 2ka7 s MET 100 N -0.33 0.06 0.11 1.68 0.23 -1.00 -1.19 119.30 118.88 2ka7 s MET 100 Ca -0.00 0.12 -0.31 0.00 -1.03 0.00 0.00 55.69 54.46 2ka7 s MET 100 Cb -0.03 -0.01 -0.10 0.00 -1.53 0.00 0.00 34.83 33.17 2ka7 s MET 100 CO -0.00 -0.04 1.72 -2.00 -2.03 0.00 0.00 175.02 172.68 2ka7 s GLU 101 N 0.22 4.17 0.18 3.16 2.12 0.15 -0.63 118.70 128.06 2ka7 s GLU 101 Ca -0.02 2.47 -0.30 0.00 0.36 0.00 0.00 54.97 57.49 2ka7 s GLU 101 Cb -0.02 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 2ka7 s GLU 101 CO -0.01 -0.77 1.09 0.96 -0.54 0.00 0.00 175.26 176.00 2ka7 s ILE 102 N 2.39 3.90 -0.12 -3.70 -4.36 -0.66 -1.38 121.20 117.27 2ka7 s ILE 102 Ca 0.76 1.64 0.03 0.00 -0.26 0.00 0.00 60.65 62.82 2ka7 s ILE 102 Cb -0.44 -4.05 -0.03 0.00 1.25 0.00 0.00 42.46 39.19 2ka7 s ILE 102 CO 0.34 0.28 0.12 -1.20 0.24 0.00 0.00 174.94 174.72 2ka7 n SER 103 N 2.38 0.61 -3.25 4.36 7.64 -1.26 -4.81 113.62 119.29 2ka7 n SER 103 Ca 0.03 -0.50 -0.21 0.00 1.01 0.00 0.00 58.87 59.19 2ka7 n SER 103 Cb 0.46 1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 64.60 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 -1.39 0.80 0.00 6.43 1.11 -1.26 -4.99 116.67 117.36 2ka7 s ASP 104 Ca 0.01 -2.60 0.19 0.00 0.18 0.00 0.00 52.55 50.33 2ka7 s ASP 104 Cb 0.02 0.19 0.95 0.00 1.07 0.00 0.00 42.92 45.15 2ka7 s ASP 104 CO 0.12 -0.16 1.60 -1.84 1.18 0.00 0.00 175.17 176.07 2ka7 n GLU 105 N 3.04 0.24 0.06 8.23 0.28 -1.26 -1.73 120.64 129.49 2ka7 n GLU 105 Ca 0.25 0.11 -0.13 0.00 -0.16 0.00 0.00 57.16 57.24 2ka7 n GLU 105 Cb 0.49 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.79 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ka7 h GLY 106 N 3.21 -0.07 1.70 -1.84 0.00 -2.01 -3.22 103.07 100.84 2ka7 h GLY 106 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2ka7 h GLY 106 CO 0.00 -0.02 0.00 1.18 0.00 0.00 0.00 176.54 177.70 2ka7 n GLU 107 N -5.09 0.09 -0.26 4.80 1.02 -0.71 -1.56 120.64 118.94 2ka7 n GLU 107 Ca -0.08 0.25 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2ka7 n GLU 107 Cb 0.08 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ka7 h LEU 108 N 0.00 0.89 0.00 -4.62 3.38 -1.67 -2.13 115.31 111.17 2ka7 h LEU 108 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ka7 h LEU 108 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2ka7 h LEU 108 CO 0.00 0.75 0.00 -0.62 0.09 0.00 0.00 178.44 178.66 2ka7 n GLU 109 N -4.47 0.58 0.14 1.13 -0.58 -0.60 -1.19 120.64 115.65 2ka7 n GLU 109 Ca 0.06 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 2ka7 n GLU 109 Cb 0.10 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.57 2ka7 n GLU 109 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ka7 h ASP 110 N 0.00 0.00 -3.10 1.62 3.58 -1.53 -3.48 116.42 113.51 2ka7 h ASP 110 Ca 0.00 -0.02 -0.46 0.00 0.42 0.00 0.00 57.03 56.97 2ka7 h ASP 110 Cb 0.01 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.15 2ka7 h ASP 110 CO 0.00 0.01 0.20 -0.76 -2.88 0.00 0.00 179.24 175.81 2ka7 s LEU 111 N -5.50 2.90 0.32 2.28 1.43 -0.33 -5.06 118.68 114.71 2ka7 s LEU 111 Ca 0.04 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 2ka7 s LEU 111 Cb 0.08 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 2ka7 s LEU 111 CO 0.73 -1.90 1.01 -0.76 0.23 0.00 0.00 176.35 175.66 2ka7 s LEU 112 N -5.30 4.39 1.22 1.79 1.43 -0.90 -4.90 118.68 116.41 2ka7 s LEU 112 Ca 0.65 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 55.62 2ka7 s LEU 112 Cb -0.07 -3.89 0.31 0.00 0.03 0.00 0.00 46.19 42.56 2ka7 s LEU 112 CO 0.46 -0.15 0.98 0.47 0.23 0.00 0.00 176.35 178.34 2ka7 n ASP 113 N 0.71 -2.06 0.03 2.29 9.92 -1.26 -1.89 116.55 124.30 2ka7 n ASP 113 Ca 0.01 -0.26 -0.13 0.00 -0.53 0.00 0.00 54.79 53.89 2ka7 n ASP 113 Cb 0.48 -1.22 -0.09 0.00 -0.64 0.00 0.00 41.12 39.65 2ka7 n ASP 113 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ka7 h GLU 114 N -2.82 -0.10 -0.25 -1.24 4.81 -1.95 0.73 114.58 113.76 2ka7 h GLU 114 Ca -0.63 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2ka7 h GLU 114 Cb 1.34 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 2ka7 h GLU 114 CO 0.49 0.30 0.14 0.37 -0.73 0.00 0.00 179.01 179.57 2ka7 h GLN 115 N -0.53 0.28 -0.02 1.92 4.15 -1.99 -0.98 115.11 117.95 2ka7 h GLN 115 Ca -0.01 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2ka7 h GLN 115 Cb 0.45 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2ka7 h GLN 115 CO 0.02 0.19 -0.18 0.00 -1.93 0.00 0.00 178.83 176.92 2ka7 h ALA 116 N 1.11 1.65 -0.50 3.38 0.00 -1.92 0.16 119.26 123.15 2ka7 h ALA 116 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2ka7 h ALA 116 Cb -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ka7 h ALA 116 CO -0.05 0.26 -0.11 -0.92 0.00 0.00 0.00 179.25 178.44 2ka7 h TYR 117 N 0.04 1.06 0.03 0.00 3.20 -0.49 -1.57 116.97 119.23 2ka7 h TYR 117 Ca 0.01 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 61.68 2ka7 h TYR 117 Cb 0.35 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2ka7 h TYR 117 CO 0.00 1.01 -0.20 0.37 -1.64 0.00 0.00 178.16 177.71 2ka7 h GLN 118 N 0.80 -0.32 0.00 1.82 4.15 0.34 -2.87 115.11 119.03 2ka7 h GLN 118 Ca 0.13 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2ka7 h GLN 118 Cb 0.66 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2ka7 h GLN 118 CO 0.05 -0.21 -0.20 0.93 -1.93 0.00 0.00 178.83 177.46 2ka7 h GLU 119 N -0.33 0.00 0.00 1.69 4.39 -0.67 0.41 114.58 120.07 2ka7 h GLU 119 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2ka7 h GLU 119 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2ka7 h GLU 119 CO -0.16 0.20 -0.15 0.35 -1.16 0.00 0.00 179.01 178.09 2ka7 h PHE 120 N 0.00 0.00 -0.09 4.33 3.57 -1.08 -1.99 116.94 121.68 2ka7 h PHE 120 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2ka7 h PHE 120 Cb 0.59 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2ka7 h PHE 120 CO 0.00 0.15 -0.32 0.00 -2.23 0.00 0.00 178.31 175.91 2ka7 h ALA 122 N 1.52 1.00 -0.03 0.00 0.00 -1.33 -0.69 119.26 119.74 2ka7 h ALA 122 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ka7 h ALA 122 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ka7 h ALA 122 CO 0.05 0.00 -0.00 1.04 0.00 0.00 0.00 179.25 180.33 2ka7 n GLN 123 N -2.88 2.14 0.00 0.00 1.13 -0.98 -5.14 117.38 111.65 2ka7 n GLN 123 Ca -0.01 -1.66 0.13 0.00 -1.94 0.00 0.00 57.00 53.52 2ka7 n GLN 123 Cb 0.17 -1.47 0.41 0.00 0.11 0.00 0.00 30.24 29.47 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71