#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 -0.73 -4.05 0.03 4.81 -0.02 -4.75 118.16 113.44 2ka7 n LYS 2 Ca 0.00 0.55 -0.13 0.00 -0.87 0.00 0.00 58.31 57.86 2ka7 n LYS 2 Cb 0.00 -0.77 -0.13 0.00 0.02 0.00 0.00 35.03 34.16 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 -0.94 0.39 -0.47 1.64 1.75 -0.81 -4.92 119.30 115.94 2ka7 s MET 3 Ca 0.15 -0.46 0.07 0.00 -1.25 0.00 0.00 55.69 54.20 2ka7 s MET 3 Cb -0.02 -0.22 0.25 0.00 2.84 0.00 0.00 34.83 37.69 2ka7 s MET 3 CO 0.33 0.04 0.59 1.17 -0.65 0.00 0.00 175.02 176.51 2ka7 n LYS 4 N 2.14 1.26 -1.97 4.11 4.81 -1.26 -0.37 118.16 126.88 2ka7 n LYS 4 Ca -0.19 -3.66 -0.29 0.00 -0.87 0.00 0.00 58.31 53.30 2ka7 n LYS 4 Cb 0.56 -1.53 0.15 0.00 0.02 0.00 0.00 35.03 34.24 2ka7 n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2ka7 s LYS 5 N -1.58 1.10 0.21 1.64 -0.14 -1.25 -4.54 119.74 115.18 2ka7 s LYS 5 Ca 0.37 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.67 2ka7 s LYS 5 Cb 0.16 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 2ka7 s LYS 5 CO -0.08 -2.10 0.10 0.71 -0.76 0.00 0.00 175.35 173.22 2ka7 s TYR 6 N -3.74 1.27 0.48 3.18 1.51 0.27 -0.90 117.35 119.41 2ka7 s TYR 6 Ca 0.70 -1.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 2ka7 s TYR 6 Cb -0.06 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.12 2ka7 s TYR 6 CO 0.51 -0.48 0.43 0.95 -1.11 0.00 0.00 175.55 175.85 2ka7 s THR 7 N -3.96 2.23 0.15 -0.71 -4.23 0.29 -2.17 115.64 107.23 2ka7 s THR 7 Ca 0.36 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 2ka7 s THR 7 Cb 0.07 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 71.14 2ka7 s THR 7 CO 0.11 0.00 1.34 0.11 -0.54 0.00 0.00 174.62 175.64 2ka7 h LYS 8 N 0.84 0.16 -0.99 3.99 1.57 -1.97 -3.36 116.57 116.82 2ka7 h LYS 8 Ca -0.38 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 57.99 2ka7 h LYS 8 Cb 1.28 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 2ka7 h LYS 8 CO 0.56 0.98 0.27 0.25 -0.57 0.00 0.00 179.45 180.94 2ka7 n THR 9 N -3.59 1.93 -3.22 -0.16 -2.24 -1.26 -4.84 114.28 100.90 2ka7 n THR 9 Ca -0.03 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.75 2ka7 n THR 9 Cb 0.85 -0.73 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.20 -1.93 -4.29 4.78 8.25 -1.26 -4.85 115.22 115.72 2ka7 n HIS 10 Ca 0.26 0.70 -0.24 0.00 -0.26 0.00 0.00 57.72 58.18 2ka7 n HIS 10 Cb 1.00 -3.89 -0.12 0.00 1.12 0.00 0.00 29.99 28.09 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 -5.74 1.15 0.46 -0.41 8.01 -1.26 -0.74 118.70 120.17 2ka7 s GLU 11 Ca 0.33 -1.19 0.08 0.00 0.01 0.00 0.00 54.97 54.21 2ka7 s GLU 11 Cb -0.15 -1.41 0.01 0.00 -4.31 0.00 0.00 34.13 28.27 2ka7 s GLU 11 CO 0.51 0.33 0.48 1.67 0.01 0.00 0.00 175.26 178.25 2ka7 s TRP 12 N -1.21 2.38 0.03 1.61 1.48 -0.48 -0.55 118.94 122.20 2ka7 s TRP 12 Ca 0.07 -0.56 0.00 0.00 -1.06 0.00 0.00 56.10 54.55 2ka7 s TRP 12 Cb -0.10 -2.18 -0.03 0.00 -1.16 0.00 0.00 33.47 30.01 2ka7 s TRP 12 CO 0.04 -0.38 -0.04 0.08 -4.06 0.00 0.00 176.95 172.60 2ka7 s VAL 13 N -2.52 0.24 -0.42 -0.66 1.01 -0.08 -3.82 120.40 114.14 2ka7 s VAL 13 Ca 0.49 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2ka7 s VAL 13 Cb -0.05 -0.67 0.17 0.00 0.00 0.00 0.00 36.38 35.83 2ka7 s VAL 13 CO 0.29 -0.61 0.39 -0.44 0.00 0.00 0.00 175.10 174.73 2ka7 s SER 14 N -1.89 1.11 0.59 3.32 0.01 -0.18 -3.94 113.70 112.73 2ka7 s SER 14 Ca -0.08 -2.72 -0.19 0.00 1.31 0.00 0.00 55.95 54.27 2ka7 s SER 14 Cb -0.05 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 2ka7 s SER 14 CO -0.03 -0.17 1.19 -0.63 0.41 0.00 0.00 173.24 174.02 2ka7 s ILE 15 N 0.34 2.72 0.15 1.44 1.09 0.50 -2.03 121.20 125.40 2ka7 s ILE 15 Ca 0.30 0.44 0.00 0.00 -1.10 0.00 0.00 60.65 60.30 2ka7 s ILE 15 Cb -0.00 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 2ka7 s ILE 15 CO -0.15 -0.10 0.00 -1.84 -0.10 0.00 0.00 174.94 172.75 2ka7 n GLU 16 N -1.55 0.00 0.00 2.79 0.28 -1.12 -1.93 120.64 119.10 2ka7 n GLU 16 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2ka7 n GLU 16 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 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 -2.95 0.00 0.00 -1.84 -0.08 -1.26 -0.84 116.55 109.58 2ka7 n ASP 17 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ka7 n ASP 17 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ka7 n LYS 18 N -1.38 0.04 -4.34 -0.67 5.02 -1.26 -4.38 118.16 111.18 2ka7 n LYS 18 Ca 0.00 -0.50 -0.22 0.00 -2.02 0.00 0.00 58.31 55.57 2ka7 n LYS 18 Cb 0.00 -0.51 -0.11 0.00 -0.02 0.00 0.00 35.03 34.39 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 -0.01 1.87 -0.02 -0.18 1.01 -1.26 -1.03 120.40 120.78 2ka7 s VAL 19 Ca 0.00 -1.97 0.06 0.00 0.00 0.00 0.00 61.98 60.07 2ka7 s VAL 19 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2ka7 s VAL 19 CO 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 175.10 174.58 2ka7 s ALA 20 N -2.11 1.66 0.24 5.51 0.00 0.85 -2.81 121.76 125.09 2ka7 s ALA 20 Ca 0.17 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 2ka7 s ALA 20 Cb -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 2ka7 s ALA 20 CO 0.07 0.40 0.79 0.99 0.00 0.00 0.00 175.76 178.01 2ka7 s THR 21 N -0.43 4.44 0.02 0.00 2.01 -0.86 -0.79 115.64 120.03 2ka7 s THR 21 Ca 0.07 1.50 0.08 0.00 0.31 0.00 0.00 61.69 63.65 2ka7 s THR 21 Cb -0.08 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2ka7 s THR 21 CO -0.00 0.25 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.25 2ka7 s VAL 22 N -1.47 1.89 0.31 3.82 1.01 -0.13 -1.01 120.40 124.83 2ka7 s VAL 22 Ca 0.43 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2ka7 s VAL 22 Cb -0.18 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2ka7 s VAL 22 CO 0.23 0.37 0.60 -0.83 0.00 0.00 0.00 175.10 175.47 2ka7 s GLY 23 N -0.98 0.61 0.82 4.51 0.00 -1.25 -2.27 107.32 108.75 2ka7 s GLY 23 Ca 0.10 -0.90 -0.12 0.00 0.00 0.00 0.00 44.72 43.80 2ka7 s GLY 23 CO 0.01 -0.54 1.10 -0.26 0.00 0.00 0.00 173.10 173.41 2ka7 s ILE 24 N -3.34 2.94 0.67 0.90 -4.36 -1.26 -1.38 121.20 115.37 2ka7 s ILE 24 Ca 0.21 0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.88 2ka7 s ILE 24 Cb -0.03 -3.01 0.08 0.00 1.25 0.00 0.00 42.46 40.76 2ka7 s ILE 24 CO 0.12 -0.40 0.95 0.42 0.24 0.00 0.00 174.94 176.27 2ka7 s THR 25 N -3.13 2.34 -2.00 8.37 -4.23 0.08 -4.30 115.64 112.77 2ka7 s THR 25 Ca 0.61 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 2ka7 s THR 25 Cb -0.15 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 70.90 2ka7 s THR 25 CO 0.55 0.00 0.78 -0.46 -0.54 0.00 0.00 174.62 174.95 2ka7 n ASN 26 N -2.75 0.00 -0.93 3.99 6.94 -1.26 -2.05 115.26 119.20 2ka7 n ASN 26 Ca 0.11 -1.39 0.12 0.00 -0.02 0.00 0.00 54.58 53.39 2ka7 n ASN 26 Cb 0.60 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.12 2ka7 n ASN 26 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2ka7 n HIS 27 N -0.53 0.02 0.04 -2.53 -0.00 -1.26 -4.58 115.22 106.38 2ka7 n HIS 27 Ca 0.01 -0.01 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2ka7 n HIS 27 Cb 0.00 -0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2ka7 n HIS 27 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka7 n ALA 28 N 1.31 2.94 -0.33 1.57 0.00 -0.87 -4.53 120.51 120.60 2ka7 n ALA 28 Ca 0.14 -0.02 0.24 0.00 0.00 0.00 0.00 53.44 53.79 2ka7 n ALA 28 Cb 0.58 0.28 0.46 0.00 0.00 0.00 0.00 19.45 20.77 2ka7 n ALA 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2ka7 h GLN 29 N -0.03 0.08 -0.11 0.00 -0.00 -1.85 -1.68 115.11 111.52 2ka7 h GLN 29 Ca -0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 2ka7 h GLN 29 Cb 0.16 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 27.58 2ka7 h GLN 29 CO -0.00 0.05 -0.21 0.93 -0.00 0.00 0.00 178.83 179.60 2ka7 h GLU 30 N 0.08 -0.27 -0.12 0.06 4.39 -1.82 0.50 114.58 117.40 2ka7 h GLU 30 Ca 0.73 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 60.28 2ka7 h GLU 30 Cb 1.77 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2ka7 h GLU 30 CO -0.77 -0.18 -0.64 1.96 -1.16 0.00 0.00 179.01 178.22 2ka7 h GLN 31 N -0.28 0.47 -0.11 2.33 1.08 -1.55 -3.22 115.11 113.82 2ka7 h GLN 31 Ca 0.09 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2ka7 h GLN 31 Cb 0.42 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2ka7 h GLN 31 CO -0.27 0.95 0.02 -0.07 -0.95 0.00 0.00 178.83 178.51 2ka7 h LEU 32 N 0.34 0.18 0.00 1.46 -0.00 -1.06 -3.49 115.31 112.73 2ka7 h LEU 32 Ca -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2ka7 h LEU 32 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2ka7 h LEU 32 CO 0.11 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 179.55 2ka7 n GLY 33 N -0.43 -1.36 3.62 0.83 0.00 0.13 -4.37 105.19 103.60 2ka7 n GLY 33 Ca -0.06 -1.31 -0.52 0.00 0.00 0.00 0.00 46.02 44.13 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka7 n ASP 34 N 0.13 1.92 -4.35 1.61 -0.08 -1.26 -4.85 116.55 109.67 2ka7 n ASP 34 Ca 0.00 1.11 -0.23 0.00 -1.51 0.00 0.00 54.79 54.16 2ka7 n ASP 34 Cb 0.00 -1.21 -0.11 0.00 2.34 0.00 0.00 41.12 42.14 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ka7 s VAL 35 N 1.02 1.94 0.00 5.18 0.11 -1.26 -2.48 120.40 124.91 2ka7 s VAL 35 Ca 0.86 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2ka7 s VAL 35 Cb -0.94 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 2ka7 s VAL 35 CO 0.49 -0.26 0.00 1.33 -3.33 0.00 0.00 175.10 173.32 2ka7 n VAL 36 N 0.30 0.00 -3.82 2.04 0.24 -1.25 -2.95 118.33 112.89 2ka7 n VAL 36 Ca -0.13 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2ka7 n VAL 36 Cb 0.57 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.05 -0.24 6.34 5.04 -0.86 -4.96 117.35 121.62 2ka7 s TYR 37 Ca 0.00 0.02 -0.16 0.00 -2.44 0.00 0.00 57.07 54.48 2ka7 s TYR 37 Cb 0.00 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.39 2ka7 s TYR 37 CO 0.00 -0.35 0.61 0.54 -1.34 0.00 0.00 175.55 175.01 2ka7 s VAL 38 N -1.49 -0.01 0.44 3.14 0.11 -1.26 -1.06 120.40 120.27 2ka7 s VAL 38 Ca -0.13 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.70 2ka7 s VAL 38 Cb -0.06 -0.87 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 2ka7 s VAL 38 CO 0.02 0.01 1.17 -0.62 -3.33 0.00 0.00 175.10 172.35 2ka7 s ASP 39 N 1.19 6.28 0.09 3.54 2.15 0.89 -4.89 116.67 125.92 2ka7 s ASP 39 Ca -0.07 2.31 0.05 0.00 0.43 0.00 0.00 52.55 55.28 2ka7 s ASP 39 Cb -0.06 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 2ka7 s ASP 39 CO -0.12 -0.84 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.15 2ka7 s LEU 40 N -2.86 2.33 0.88 -1.34 1.02 -1.26 -4.15 118.68 113.29 2ka7 s LEU 40 Ca 0.62 -0.69 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 2ka7 s LEU 40 Cb -0.29 -0.49 0.16 0.00 0.02 0.00 0.00 46.19 45.59 2ka7 s LEU 40 CO 0.36 -0.12 1.22 -2.16 0.02 0.00 0.00 176.35 175.67 2ka7 s PRO 41 N -2.11 1.13 0.27 1.29 0.04 -1.14 -4.95 135.00 129.53 2ka7 s PRO 41 Ca 0.02 -0.44 -0.28 0.00 0.04 0.00 0.00 61.00 60.33 2ka7 s PRO 41 Cb -0.08 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2ka7 s PRO 41 CO 0.02 -2.04 0.94 -2.00 0.04 0.00 0.00 177.00 173.96 2ka7 s GLU 42 N -5.67 4.73 0.00 4.56 2.12 -1.26 -4.95 118.70 118.23 2ka7 s GLU 42 Ca 0.70 1.41 0.00 0.00 0.36 0.00 0.00 54.97 57.44 2ka7 s GLU 42 Cb -0.06 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2ka7 s GLU 42 CO 0.50 0.42 0.25 1.55 -0.54 0.00 0.00 175.26 177.45 2ka7 n VAL 43 N 1.10 0.09 -1.52 3.70 3.14 -1.26 -2.01 118.33 121.56 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 0.48 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 0.39 -0.32 3.76 7.55 0.00 -1.05 -3.85 105.19 111.68 2ka7 n GLY 44 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.73 0.42 1.61 3.52 -0.85 -4.74 118.95 123.65 2ka7 s ARG 45 Ca 0.00 1.43 -0.21 0.00 -0.13 0.00 0.00 55.73 56.82 2ka7 s ARG 45 Cb 0.00 -3.07 -0.11 0.00 -1.56 0.00 0.00 34.95 30.21 2ka7 s ARG 45 CO 0.00 0.41 0.96 -1.21 -0.81 0.00 0.00 175.30 174.65 2ka7 s GLU 46 N -1.56 4.22 0.23 5.12 2.02 -1.26 -0.47 118.70 127.00 2ka7 s GLU 46 Ca 0.45 1.17 -0.05 0.00 0.02 0.00 0.00 54.97 56.56 2ka7 s GLU 46 Cb -0.23 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 2ka7 s GLU 46 CO 0.29 -0.04 0.29 0.14 0.02 0.00 0.00 175.26 175.96 2ka7 s VAL 47 N -2.10 0.00 0.36 2.63 -7.23 0.27 -4.91 120.40 109.41 2ka7 s VAL 47 Ca 0.61 -1.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.12 2ka7 s VAL 47 Cb -0.11 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 2ka7 s VAL 47 CO 0.15 0.00 0.03 -0.54 -0.31 0.00 0.00 175.10 174.43 2ka7 s LYS 48 N -4.00 2.08 0.00 4.82 1.02 -1.26 -2.21 119.74 120.20 2ka7 s LYS 48 Ca 0.32 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2ka7 s LYS 48 Cb 0.03 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2ka7 s LYS 48 CO 0.12 0.08 0.18 0.36 -0.92 0.00 0.00 175.35 175.18 2ka7 n LYS 49 N -0.99 0.24 -2.73 1.68 2.85 -1.06 -2.66 118.16 115.49 2ka7 n LYS 49 Ca -0.04 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.15 2ka7 n LYS 49 Cb 0.63 -1.06 0.07 0.00 -0.65 0.00 0.00 35.03 34.02 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 0.05 -0.21 2.88 2.58 0.00 -1.11 -4.60 105.19 104.78 2ka7 n GLY 50 Ca 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 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 0.47 0.86 -0.70 1.61 2.56 -1.09 -4.92 118.70 117.49 2ka7 s GLU 51 Ca 0.28 -0.10 -0.05 0.00 0.00 0.00 0.00 54.97 55.10 2ka7 s GLU 51 Cb 0.24 -0.90 0.01 0.00 2.00 0.00 0.00 34.13 35.48 2ka7 s GLU 51 CO -0.18 -0.11 2.84 0.28 -0.56 0.00 0.00 175.26 177.53 2ka7 n VAL 52 N 4.21 3.86 1.27 3.70 0.31 -1.26 -0.53 118.33 129.89 2ka7 n VAL 52 Ca -0.22 -3.06 0.05 0.00 -0.01 0.00 0.00 64.34 61.10 2ka7 n VAL 52 Cb 0.51 -1.88 0.16 0.00 -0.91 0.00 0.00 33.84 31.72 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 53 N 1.60 0.29 -2.70 2.52 0.24 -1.13 -3.98 118.33 115.18 2ka7 n VAL 53 Ca 0.54 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.34 62.46 2ka7 n VAL 53 Cb 0.51 0.16 0.12 0.00 -1.47 0.00 0.00 33.84 33.16 2ka7 n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ka7 n ALA 54 N 0.17 1.10 -1.67 2.33 0.00 -1.26 -2.91 120.51 118.29 2ka7 n ALA 54 Ca 0.09 -1.28 -0.38 0.00 0.00 0.00 0.00 53.44 51.88 2ka7 n ALA 54 Cb 0.21 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.71 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka7 n SER 55 N -0.57 1.46 -4.33 0.00 2.88 -1.26 -3.78 113.62 108.02 2ka7 n SER 55 Ca -0.03 0.86 -0.32 0.00 -1.33 0.00 0.00 58.87 58.04 2ka7 n SER 55 Cb 0.84 -1.46 -0.15 0.00 -0.75 0.00 0.00 64.21 62.69 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ka7 s ILE 56 N -1.43 2.41 -0.23 2.46 1.01 0.02 -0.08 121.20 125.37 2ka7 s ILE 56 Ca 0.76 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 2ka7 s ILE 56 Cb -0.42 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.16 2ka7 s ILE 56 CO 0.46 0.57 -0.10 -0.70 0.00 0.00 0.00 174.94 175.18 2ka7 s GLU 57 N -0.24 2.95 0.00 2.79 2.12 -0.22 -1.52 118.70 124.57 2ka7 s GLU 57 Ca -0.01 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.43 2ka7 s GLU 57 Cb -0.13 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2ka7 s GLU 57 CO 0.03 -0.32 0.00 -1.13 -0.54 0.00 0.00 175.26 173.30 2ka7 n SER 58 N 4.67 0.00 -0.35 -1.70 3.41 -0.73 -2.03 113.62 116.89 2ka7 n SER 58 Ca -0.18 -0.59 0.22 0.00 -0.26 0.00 0.00 58.87 58.07 2ka7 n SER 58 Cb 0.48 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.42 0.00 -3.33 -1.51 -1.69 -3.30 116.25 106.82 2ka7 h VAL 59 Ca 0.00 -0.14 -0.21 0.00 -1.23 0.00 0.00 66.70 65.12 2ka7 h VAL 59 Cb 0.00 -0.03 -0.14 0.00 -2.13 0.00 0.00 31.29 28.99 2ka7 h VAL 59 CO 0.00 0.08 -0.31 1.17 -1.23 0.00 0.00 177.57 177.27 2ka7 n LYS 60 N -4.87 0.94 -4.43 5.19 0.00 -1.26 -5.16 118.16 108.57 2ka7 n LYS 60 Ca 0.29 -1.69 -0.21 0.00 0.00 0.00 0.00 58.31 56.71 2ka7 n LYS 60 Cb 0.91 -0.53 -0.10 0.00 0.00 0.00 0.00 35.03 35.31 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka7 s ALA 61 N 0.21 2.28 0.15 3.14 0.00 -1.24 -5.15 121.76 121.14 2ka7 s ALA 61 Ca 0.21 -1.97 0.11 0.00 0.00 0.00 0.00 51.96 50.30 2ka7 s ALA 61 Cb 0.31 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2ka7 s ALA 61 CO -0.08 -0.23 -0.26 0.00 0.00 0.00 0.00 175.76 175.20 2ka7 s ALA 62 N -3.23 2.41 -0.18 0.00 0.00 -1.26 -1.78 121.76 117.73 2ka7 s ALA 62 Ca 0.33 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2ka7 s ALA 62 Cb 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.88 2ka7 s ALA 62 CO 0.13 0.50 -0.01 0.00 0.00 0.00 0.00 175.76 176.38 2ka7 s ALA 63 N -1.28 1.28 -0.41 0.00 0.00 -0.58 -4.98 121.76 115.79 2ka7 s ALA 63 Ca 0.16 -0.78 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 2ka7 s ALA 63 Cb -0.09 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 2ka7 s ALA 63 CO 0.07 -0.96 1.68 -0.51 0.00 0.00 0.00 175.76 176.03 2ka7 s ASP 64 N 1.72 5.93 -0.40 0.00 1.01 -1.26 -0.80 116.67 122.87 2ka7 s ASP 64 Ca -0.00 0.95 -0.29 0.00 0.71 0.00 0.00 52.55 53.91 2ka7 s ASP 64 Cb -0.16 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.25 2ka7 s ASP 64 CO -0.07 -1.74 1.34 -0.69 0.21 0.00 0.00 175.17 174.22 2ka7 s VAL 65 N 6.78 4.00 -0.32 -1.27 1.01 -1.25 -4.95 120.40 124.40 2ka7 s VAL 65 Ca 0.71 1.04 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 2ka7 s VAL 65 Cb -0.18 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2ka7 s VAL 65 CO 0.31 -0.75 0.81 -0.31 0.00 0.00 0.00 175.10 175.16 2ka7 s TYR 66 N 5.07 3.18 0.16 5.22 1.51 -1.26 -2.85 117.35 128.37 2ka7 s TYR 66 Ca 0.58 0.79 -0.33 0.00 -1.01 0.00 0.00 57.07 57.10 2ka7 s TYR 66 Cb -0.13 -3.30 -0.17 0.00 -0.11 0.00 0.00 41.96 38.25 2ka7 s TYR 66 CO 0.31 -0.62 1.01 0.00 -1.11 0.00 0.00 175.55 175.14 2ka7 n ALA 67 N 6.31 -1.66 0.05 3.71 0.00 0.31 -4.77 120.51 124.46 2ka7 n ALA 67 Ca 0.04 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 2ka7 n ALA 67 Cb 0.48 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.90 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 2.74 0.11 -5.15 0.00 0.13 -1.81 -2.94 132.00 125.08 2ka7 h PRO 68 Ca -0.41 -0.18 -0.41 0.00 -0.87 0.00 0.00 66.00 64.12 2ka7 h PRO 68 Cb 1.38 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 2ka7 h PRO 68 CO 0.66 0.95 -0.65 -0.51 -0.23 0.00 0.00 178.00 178.23 2ka7 s LEU 69 N -6.71 2.18 0.09 1.56 2.01 -1.26 -4.64 118.68 111.90 2ka7 s LEU 69 Ca -0.04 -1.26 -0.28 0.00 0.01 0.00 0.00 54.13 52.56 2ka7 s LEU 69 Cb 0.08 -0.32 -0.06 0.00 0.01 0.00 0.00 46.19 45.91 2ka7 s LEU 69 CO 0.84 -0.53 0.90 -0.44 1.01 0.00 0.00 176.35 178.13 2ka7 s SER 70 N -3.36 7.40 0.00 2.29 0.01 -1.26 -2.55 113.70 116.24 2ka7 s SER 70 Ca 0.31 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2ka7 s SER 70 Cb 0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2ka7 s SER 70 CO 0.11 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2ka7 n GLY 71 N 2.32 -1.29 3.21 3.44 0.00 -0.94 -3.30 105.19 108.63 2ka7 n GLY 71 Ca 0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.66 2.57 0.38 1.61 2.20 -1.11 -0.57 119.74 124.16 2ka7 s LYS 72 Ca 0.00 -0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 54.52 2ka7 s LYS 72 Cb 0.00 -2.07 -0.11 0.00 -1.51 0.00 0.00 37.83 34.15 2ka7 s LYS 72 CO 0.00 0.25 1.47 0.42 -0.36 0.00 0.00 175.35 177.13 2ka7 s ILE 73 N 0.15 2.10 0.00 5.43 -1.09 0.38 0.08 121.20 128.25 2ka7 s ILE 73 Ca -0.11 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2ka7 s ILE 73 Cb -0.15 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 2ka7 s ILE 73 CO 0.06 0.02 0.04 1.33 -1.23 0.00 0.00 174.94 175.16 2ka7 n VAL 74 N 0.44 0.00 -3.82 2.92 0.24 -0.18 -2.52 118.33 115.41 2ka7 n VAL 74 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.40 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.93 0.04 7.34 2.12 -0.96 -4.95 118.70 123.23 2ka7 s GLU 75 Ca 0.00 -0.93 -0.07 0.00 0.36 0.00 0.00 54.97 54.34 2ka7 s GLU 75 Cb 0.00 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 2ka7 s GLU 75 CO 0.00 -0.32 0.13 0.14 -0.54 0.00 0.00 175.26 174.66 2ka7 s VAL 76 N -3.86 0.13 -0.91 3.70 -7.23 -1.26 -0.53 120.40 110.45 2ka7 s VAL 76 Ca 0.06 -1.09 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2ka7 s VAL 76 Cb 0.04 -0.98 0.28 0.00 0.56 0.00 0.00 36.38 36.28 2ka7 s VAL 76 CO -0.10 -0.60 1.16 -3.20 -0.31 0.00 0.00 175.10 172.05 2ka7 n ASN 77 N 0.62 5.30 0.18 4.85 5.15 0.13 -4.88 115.26 126.60 2ka7 n ASN 77 Ca -0.18 -3.40 0.12 0.00 -0.60 0.00 0.00 54.58 50.51 2ka7 n ASN 77 Cb 0.59 -1.04 0.62 0.00 -0.53 0.00 0.00 39.78 39.42 2ka7 n ASN 77 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2ka7 h GLU 78 N 5.03 0.00 -0.66 1.20 4.11 -1.96 0.56 114.58 122.86 2ka7 h GLU 78 Ca 0.20 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.82 2ka7 h GLU 78 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2ka7 h GLU 78 CO 1.12 0.00 0.48 0.87 0.07 0.00 0.00 179.01 181.55 2ka7 h LYS 79 N 0.00 0.00 0.00 1.06 1.57 -1.94 -1.53 116.57 115.73 2ka7 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka7 h LYS 79 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2ka7 h LYS 79 CO 0.00 0.00 0.11 1.28 -0.57 0.00 0.00 179.45 180.27 2ka7 n LEU 80 N -4.32 0.47 0.25 2.94 4.77 0.19 -0.07 117.00 121.23 2ka7 n LEU 80 Ca 0.13 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.91 2ka7 n LEU 80 Cb 0.74 -0.71 0.67 0.00 -2.33 0.00 0.00 43.42 41.80 2ka7 n LEU 80 CO 0.37 -0.84 0.95 -0.78 -1.33 0.00 0.00 177.39 175.76 2ka7 h ASP 81 N 0.00 0.00 0.00 -1.43 3.58 -1.52 -2.91 116.42 114.14 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 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2ka7 h ASP 81 CO 0.00 0.14 -0.79 0.35 -2.88 0.00 0.00 179.24 176.06 2ka7 n THR 82 N -3.68 0.00 -3.15 2.25 -2.24 0.05 -4.78 114.28 102.73 2ka7 n THR 82 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 2ka7 n THR 82 Cb 0.26 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 2ka7 n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ka7 n GLU 83 N -1.55 2.81 0.00 -0.78 1.02 0.90 -4.90 120.64 118.14 2ka7 n GLU 83 Ca 0.00 -4.69 -0.12 0.00 -0.02 0.00 0.00 57.16 52.33 2ka7 n GLU 83 Cb 0.28 -2.20 -0.09 0.00 -0.02 0.00 0.00 31.44 29.41 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 3.48 -0.09 0.00 3.49 0.13 -1.72 -3.27 132.00 134.02 2ka7 h PRO 84 Ca 0.15 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2ka7 h PRO 84 Cb 0.59 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2ka7 h PRO 84 CO 0.81 0.49 0.28 1.49 -0.23 0.00 0.00 178.00 180.83 2ka7 h GLU 85 N -0.78 0.00 -0.72 0.86 4.22 -1.86 -2.56 114.58 113.74 2ka7 h GLU 85 Ca -0.01 0.00 0.20 0.00 0.08 0.00 0.00 59.36 59.63 2ka7 h GLU 85 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2ka7 h GLU 85 CO 0.02 0.00 0.51 1.25 -2.18 0.00 0.00 179.01 178.61 2ka7 h LEU 86 N 0.00 0.04 -2.34 1.64 7.12 -1.91 0.32 115.31 120.19 2ka7 h LEU 86 Ca 0.00 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.04 2ka7 h LEU 86 Cb 0.56 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2ka7 h LEU 86 CO 0.00 0.02 0.09 0.40 -0.13 0.00 0.00 178.44 178.82 2ka7 h ILE 87 N 0.04 0.53 0.27 4.05 2.04 -1.68 0.30 117.51 123.06 2ka7 h ILE 87 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 2ka7 h ILE 87 Cb 1.32 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2ka7 h ILE 87 CO -0.02 0.00 -0.13 0.78 0.00 0.00 0.00 178.15 178.78 2ka7 h ASN 88 N 0.00 -0.31 -0.05 1.72 -0.26 -0.60 -2.90 115.58 113.18 2ka7 h ASN 88 Ca 0.04 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 2ka7 h ASN 88 Cb 0.21 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 2ka7 h ASN 88 CO -0.00 -0.02 0.01 0.11 -1.06 0.00 0.00 177.43 176.47 2ka7 h LYS 89 N -0.61 0.08 -1.74 0.81 1.79 -1.05 -3.39 116.57 112.46 2ka7 h LYS 89 Ca -0.04 -0.02 -0.40 0.00 -2.18 0.00 0.00 60.65 58.01 2ka7 h LYS 89 Cb 0.44 -0.01 -0.28 0.00 -1.58 0.00 0.00 32.23 30.79 2ka7 h LYS 89 CO 0.06 0.31 -0.77 -3.47 -1.08 0.00 0.00 179.45 174.51 2ka7 n ASP 90 N -4.91 -1.77 0.24 0.86 -0.08 -0.45 -5.01 116.55 105.42 2ka7 n ASP 90 Ca -0.07 -2.62 0.16 0.00 -1.51 0.00 0.00 54.79 50.75 2ka7 n ASP 90 Cb 0.16 0.46 0.80 0.00 2.34 0.00 0.00 41.12 44.88 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2ka7 h PRO 91 N 5.30 0.00 -0.18 -0.67 0.13 -1.67 0.12 132.00 135.04 2ka7 h PRO 91 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ka7 h PRO 91 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ka7 h PRO 91 CO 0.22 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 2ka7 n GLU 92 N -2.68 2.63 0.00 0.86 4.71 -1.26 -4.16 120.64 120.74 2ka7 n GLU 92 Ca -0.01 -2.22 0.00 0.00 -0.01 0.00 0.00 57.16 54.92 2ka7 n GLU 92 Cb 0.13 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ka7 n GLY 93 N -0.35 0.43 0.08 0.62 0.00 -0.94 -4.95 105.19 100.08 2ka7 n GLY 93 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.12 -1.59 1.61 5.08 -1.89 -3.21 114.58 114.70 2ka7 h GLU 94 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2ka7 h GLU 94 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2ka7 h GLU 94 CO 0.00 1.07 0.06 0.41 -1.00 0.00 0.00 179.01 179.54 2ka7 n GLY 95 N 1.45 2.53 3.60 -3.84 0.00 0.39 -4.90 105.19 104.42 2ka7 n GLY 95 Ca -0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.26 1.81 0.10 1.61 1.48 -1.22 -4.49 118.94 117.97 2ka7 s TRP 96 Ca 0.04 1.07 -0.00 0.00 -1.06 0.00 0.00 56.10 56.15 2ka7 s TRP 96 Cb 0.04 -3.20 -0.00 0.00 -1.16 0.00 0.00 33.47 29.15 2ka7 s TRP 96 CO 0.00 -3.28 -0.00 1.28 -4.06 0.00 0.00 176.95 170.89 2ka7 n LEU 97 N -4.47 1.10 -4.09 -4.66 4.77 -0.96 -4.80 117.00 103.89 2ka7 n LEU 97 Ca 0.04 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2ka7 n LEU 97 Cb 0.56 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2ka7 n LEU 97 CO 0.57 -0.74 -0.09 0.72 -1.33 0.00 0.00 177.39 176.52 2ka7 s PHE 98 N -2.01 0.74 0.16 -1.77 -0.12 -1.19 0.19 117.98 113.99 2ka7 s PHE 98 Ca -0.00 -1.05 0.08 0.00 -0.05 0.00 0.00 56.93 55.90 2ka7 s PHE 98 Cb 0.00 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 2ka7 s PHE 98 CO 0.00 -0.73 -0.17 0.15 -0.05 0.00 0.00 175.22 174.42 2ka7 s LYS 99 N -4.07 1.24 -0.05 1.99 1.02 0.32 -0.96 119.74 119.23 2ka7 s LYS 99 Ca 0.28 -1.39 -0.09 0.00 0.02 0.00 0.00 55.97 54.79 2ka7 s LYS 99 Cb 0.04 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.11 2ka7 s LYS 99 CO 0.07 0.25 0.22 0.00 -0.92 0.00 0.00 175.35 174.97 2ka7 s MET 100 N -2.81 0.38 0.33 1.68 0.23 0.03 -1.01 119.30 118.13 2ka7 s MET 100 Ca 0.15 0.06 -0.29 0.00 -1.03 0.00 0.00 55.69 54.59 2ka7 s MET 100 Cb -0.05 0.17 -0.10 0.00 -1.53 0.00 0.00 34.83 33.32 2ka7 s MET 100 CO 0.06 -0.08 1.38 -2.00 -2.03 0.00 0.00 175.02 172.36 2ka7 s GLU 101 N -0.47 4.27 -0.56 3.16 2.12 0.11 -0.11 118.70 127.22 2ka7 s GLU 101 Ca -0.06 2.33 -0.23 0.00 0.36 0.00 0.00 54.97 57.37 2ka7 s GLU 101 Cb -0.04 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.35 2ka7 s GLU 101 CO 0.01 -0.32 0.88 0.96 -0.54 0.00 0.00 175.26 176.25 2ka7 s ILE 102 N -0.92 4.47 0.42 -3.70 -4.36 -0.20 -2.75 121.20 114.17 2ka7 s ILE 102 Ca 0.52 0.01 0.10 0.00 -0.26 0.00 0.00 60.65 61.02 2ka7 s ILE 102 Cb -0.42 -4.52 0.29 0.00 1.25 0.00 0.00 42.46 39.07 2ka7 s ILE 102 CO 0.54 -1.11 2.02 -1.28 0.24 0.00 0.00 174.94 175.35 2ka7 h SER 103 N 9.29 0.44 -2.19 4.36 0.87 -1.88 -3.40 113.55 121.04 2ka7 h SER 103 Ca -0.27 -0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.99 2ka7 h SER 103 Cb 1.08 -0.10 -0.33 0.00 -0.44 0.00 0.00 62.40 62.61 2ka7 h SER 103 CO 1.08 0.29 -0.61 -1.81 -0.53 0.00 0.00 176.83 175.25 2ka7 s ASP 104 N -6.48 1.41 0.00 6.23 1.11 -1.26 -4.95 116.67 112.72 2ka7 s ASP 104 Ca -0.08 -0.51 0.18 0.00 0.18 0.00 0.00 52.55 52.32 2ka7 s ASP 104 Cb 0.18 0.57 1.02 0.00 1.07 0.00 0.00 42.92 45.76 2ka7 s ASP 104 CO 0.74 -0.36 1.50 1.21 1.18 0.00 0.00 175.17 179.43 2ka7 n GLU 105 N 5.32 0.46 0.25 8.23 2.13 -1.26 -3.67 120.64 132.09 2ka7 n GLU 105 Ca -0.03 0.04 -0.11 0.00 0.66 0.00 0.00 57.16 57.72 2ka7 n GLU 105 Cb 0.48 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.63 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ka7 h GLY 106 N 2.86 -0.88 2.00 8.31 0.00 -1.98 -3.33 103.07 110.06 2ka7 h GLY 106 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2ka7 h GLY 106 CO 0.00 -0.30 0.00 1.18 0.00 0.00 0.00 176.54 177.42 2ka7 n GLU 107 N -4.06 0.00 -0.25 4.80 1.02 -1.24 -1.58 120.64 119.34 2ka7 n GLU 107 Ca -0.08 0.22 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 2ka7 n GLU 107 Cb 0.28 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.42 -0.33 -4.62 4.07 -1.77 -1.07 115.31 111.17 2ka7 h LEU 108 Ca 0.00 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2ka7 h LEU 108 Cb 0.29 0.36 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2ka7 h LEU 108 CO 0.00 -0.19 0.00 -0.33 -1.08 0.00 0.00 178.44 176.84 2ka7 h GLU 109 N 0.07 0.00 0.00 1.13 4.39 -1.50 -1.93 114.58 116.74 2ka7 h GLU 109 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2ka7 h GLU 109 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2ka7 h GLU 109 CO -0.67 0.00 -0.60 0.22 -1.16 0.00 0.00 179.01 176.80 2ka7 h ASP 110 N 0.00 0.00 -3.69 1.42 3.58 -1.46 -3.47 116.42 112.80 2ka7 h ASP 110 Ca 0.00 -0.07 -0.39 0.00 0.42 0.00 0.00 57.03 57.00 2ka7 h ASP 110 Cb 0.60 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.81 2ka7 h ASP 110 CO 0.00 0.03 0.37 0.18 -2.88 0.00 0.00 179.24 176.94 2ka7 n LEU 111 N -2.56 0.00 -4.64 2.28 4.77 -0.50 -5.04 117.00 111.31 2ka7 n LEU 111 Ca 0.02 -1.32 -0.41 0.00 -0.03 0.00 0.00 56.01 54.27 2ka7 n LEU 111 Cb 0.50 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2ka7 n LEU 111 CO 0.37 -1.34 0.48 -0.76 -1.33 0.00 0.00 177.39 174.81 2ka7 s LEU 112 N 0.00 4.09 0.97 2.23 1.43 -0.92 -4.93 118.68 121.55 2ka7 s LEU 112 Ca 0.67 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2ka7 s LEU 112 Cb -0.02 -2.99 0.17 0.00 0.03 0.00 0.00 46.19 43.39 2ka7 s LEU 112 CO 0.47 -0.39 1.09 -1.81 0.23 0.00 0.00 176.35 175.93 2ka7 s ASP 113 N 1.35 2.79 -0.02 2.29 1.11 -1.26 -0.57 116.67 122.37 2ka7 s ASP 113 Ca 0.30 1.43 -0.21 0.00 0.18 0.00 0.00 52.55 54.25 2ka7 s ASP 113 Cb -0.16 -2.11 -0.13 0.00 1.07 0.00 0.00 42.92 41.59 2ka7 s ASP 113 CO 0.09 -3.06 0.92 -0.08 1.18 0.00 0.00 175.17 174.22 2ka7 h GLU 114 N -1.84 -0.53 -0.66 8.23 4.81 -1.96 0.45 114.58 123.08 2ka7 h GLU 114 Ca -0.53 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 58.88 2ka7 h GLU 114 Cb 1.30 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 2ka7 h GLU 114 CO 0.54 -0.25 0.12 0.37 -0.73 0.00 0.00 179.01 179.07 2ka7 h GLN 115 N -1.03 0.23 0.00 1.92 4.15 -1.97 -2.07 115.11 116.34 2ka7 h GLN 115 Ca -0.06 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2ka7 h GLN 115 Cb 0.53 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 2ka7 h GLN 115 CO 0.09 0.15 -0.51 0.00 -1.93 0.00 0.00 178.83 176.63 2ka7 h ALA 116 N 1.55 0.68 -0.60 3.38 0.00 -1.88 -1.92 119.26 120.47 2ka7 h ALA 116 Ca 0.36 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2ka7 h ALA 116 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2ka7 h ALA 116 CO -0.48 0.64 0.03 -0.92 0.00 0.00 0.00 179.25 178.52 2ka7 h TYR 117 N 0.00 1.12 0.17 0.00 3.20 0.22 -1.71 116.97 119.98 2ka7 h TYR 117 Ca -0.01 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 2ka7 h TYR 117 Cb 1.37 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2ka7 h TYR 117 CO 0.00 0.98 -0.08 0.37 -1.64 0.00 0.00 178.16 177.79 2ka7 h GLN 118 N 0.93 -0.23 -0.89 1.82 4.15 -1.10 -2.79 115.11 117.00 2ka7 h GLN 118 Ca 0.17 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.84 2ka7 h GLN 118 Cb 0.52 0.05 -0.16 0.00 0.21 0.00 0.00 27.48 28.10 2ka7 h GLN 118 CO 0.02 0.02 0.05 0.93 -1.93 0.00 0.00 178.83 177.92 2ka7 h GLU 119 N -0.46 0.07 -0.96 1.69 4.39 -1.32 -0.32 114.58 117.67 2ka7 h GLU 119 Ca -0.02 -0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.89 2ka7 h GLU 119 Cb 0.35 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.90 2ka7 h GLU 119 CO 0.04 0.05 0.62 0.35 -1.16 0.00 0.00 179.01 178.91 2ka7 h PHE 120 N 0.07 0.70 0.00 4.33 3.57 -1.03 -0.52 116.94 124.06 2ka7 h PHE 120 Ca 0.52 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.02 2ka7 h PHE 120 Cb 1.02 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 2ka7 h PHE 120 CO -0.44 0.15 -0.14 0.00 -2.23 0.00 0.00 178.31 175.65 2ka7 h ALA 122 N 1.86 -0.09 0.00 0.00 0.00 -1.21 -3.33 119.26 116.49 2ka7 h ALA 122 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2ka7 h ALA 122 Cb 1.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2ka7 h ALA 122 CO 0.02 0.46 0.00 1.04 0.00 0.00 0.00 179.25 180.77 2ka7 n GLN 123 N -4.02 0.69 0.00 0.00 1.13 -0.32 -5.14 117.38 109.72 2ka7 n GLN 123 Ca -0.14 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.94 2ka7 n GLN 123 Cb 0.89 -1.22 0.02 0.00 0.11 0.00 0.00 30.24 30.03 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71