#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 4.16 0.07 2.12 2.36 -0.91 -4.17 119.74 123.37 2ka7 s LYS 2 Ca 0.00 2.40 -0.27 0.00 -2.55 0.00 0.00 55.97 55.55 2ka7 s LYS 2 Cb 0.00 -4.03 0.08 0.00 -1.05 0.00 0.00 37.83 32.83 2ka7 s LYS 2 CO 0.00 -0.89 0.83 1.41 1.55 0.00 0.00 175.35 178.26 2ka7 s MET 3 N 4.11 1.03 -0.31 4.03 1.75 -0.68 -4.97 119.30 124.26 2ka7 s MET 3 Ca 0.80 -0.43 0.04 0.00 -1.25 0.00 0.00 55.69 54.85 2ka7 s MET 3 Cb -0.38 0.44 0.18 0.00 2.84 0.00 0.00 34.83 37.90 2ka7 s MET 3 CO 0.35 -0.46 0.49 0.21 -0.65 0.00 0.00 175.02 174.96 2ka7 s LYS 4 N -3.32 0.52 0.49 4.11 2.20 -1.26 -1.09 119.74 121.39 2ka7 s LYS 4 Ca 0.06 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2ka7 s LYS 4 Cb -0.01 -0.11 0.09 0.00 -1.51 0.00 0.00 37.83 36.29 2ka7 s LYS 4 CO -0.07 -1.07 0.68 1.63 -0.36 0.00 0.00 175.35 176.16 2ka7 n LYS 5 N 5.21 0.30 -4.27 4.03 4.76 -1.22 -4.67 118.16 122.30 2ka7 n LYS 5 Ca 0.04 -2.07 -0.16 0.00 -2.87 0.00 0.00 58.31 53.25 2ka7 n LYS 5 Cb 0.51 -0.38 -0.09 0.00 -1.84 0.00 0.00 35.03 33.23 2ka7 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2ka7 s TYR 6 N -1.98 1.44 0.43 2.13 1.51 -0.66 -1.69 117.35 118.53 2ka7 s TYR 6 Ca 0.47 -1.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.17 2ka7 s TYR 6 Cb -0.03 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 2ka7 s TYR 6 CO 0.31 -0.61 0.02 0.95 -1.11 0.00 0.00 175.55 175.10 2ka7 s THR 7 N -3.82 1.54 0.10 -0.71 -4.23 -0.83 -2.86 115.64 104.83 2ka7 s THR 7 Ca 0.38 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2ka7 s THR 7 Cb 0.06 -2.65 -0.24 0.00 1.34 0.00 0.00 72.50 71.00 2ka7 s THR 7 CO 0.17 0.00 1.21 0.11 -0.54 0.00 0.00 174.62 175.57 2ka7 h LYS 8 N 1.67 0.28 -0.93 3.99 6.56 -1.99 -3.33 116.57 122.81 2ka7 h LYS 8 Ca -0.43 -0.40 0.00 0.00 -1.06 0.00 0.00 60.65 58.75 2ka7 h LYS 8 Cb 1.27 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 2ka7 h LYS 8 CO 0.76 1.15 0.00 0.25 -2.06 0.00 0.00 179.45 179.55 2ka7 n THR 9 N -3.58 0.27 -3.32 -0.16 -2.24 -1.26 -4.81 114.28 99.18 2ka7 n THR 9 Ca -0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 2ka7 n THR 9 Cb 0.95 -0.56 0.08 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.29 -2.17 -4.88 4.78 1.44 -1.25 -4.78 115.22 108.65 2ka7 n HIS 10 Ca 0.00 0.88 -0.26 0.00 -2.01 0.00 0.00 57.72 56.33 2ka7 n HIS 10 Cb 0.26 -4.71 -0.15 0.00 0.12 0.00 0.00 29.99 25.51 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 -5.03 1.52 0.33 -1.40 8.01 -1.26 -0.93 118.70 119.95 2ka7 s GLU 11 Ca 0.12 -0.74 0.01 0.00 0.01 0.00 0.00 54.97 54.38 2ka7 s GLU 11 Cb -0.02 -1.50 -0.03 0.00 -4.31 0.00 0.00 34.13 28.27 2ka7 s GLU 11 CO 0.70 0.41 0.53 1.67 0.01 0.00 0.00 175.26 178.58 2ka7 s TRP 12 N -0.52 3.50 -0.29 1.61 1.48 -0.63 -1.97 118.94 122.11 2ka7 s TRP 12 Ca 0.07 0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 55.40 2ka7 s TRP 12 Cb -0.08 -1.87 0.10 0.00 -1.16 0.00 0.00 33.47 30.46 2ka7 s TRP 12 CO -0.00 0.15 0.12 0.08 -4.06 0.00 0.00 176.95 173.24 2ka7 s VAL 13 N -2.28 0.15 -1.09 -0.66 1.01 -0.68 -3.46 120.40 113.39 2ka7 s VAL 13 Ca 0.39 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2ka7 s VAL 13 Cb -0.10 -1.13 0.11 0.00 0.00 0.00 0.00 36.38 35.26 2ka7 s VAL 13 CO 0.35 -0.70 1.41 -0.44 0.00 0.00 0.00 175.10 175.72 2ka7 s SER 14 N 1.99 6.74 0.21 3.32 0.01 0.04 -3.43 113.70 122.58 2ka7 s SER 14 Ca 0.09 -2.19 -0.30 0.00 1.31 0.00 0.00 55.95 54.86 2ka7 s SER 14 Cb -0.16 -2.48 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2ka7 s SER 14 CO -0.33 -1.13 1.30 -0.63 0.41 0.00 0.00 173.24 172.86 2ka7 s ILE 15 N 3.36 3.18 0.02 1.44 1.09 -0.25 -1.68 121.20 128.36 2ka7 s ILE 15 Ca 0.43 0.99 0.00 0.00 -1.10 0.00 0.00 60.65 60.97 2ka7 s ILE 15 Cb -0.01 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 2ka7 s ILE 15 CO -0.04 0.16 0.00 1.21 -0.10 0.00 0.00 174.94 176.17 2ka7 n GLU 16 N 2.46 0.00 0.00 2.79 2.13 -0.56 -1.69 120.64 125.76 2ka7 n GLU 16 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2ka7 n GLU 16 Cb 0.43 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.08 2ka7 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ka7 n ASP 17 N -2.62 0.00 -0.06 4.31 8.00 -1.26 -2.14 116.55 122.78 2ka7 n ASP 17 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2ka7 n ASP 17 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ka7 n LYS 18 N -0.60 1.78 -4.22 -1.24 4.01 -1.26 -4.02 118.16 112.61 2ka7 n LYS 18 Ca 0.00 -1.47 -0.20 0.00 -0.51 0.00 0.00 58.31 56.13 2ka7 n LYS 18 Cb 0.00 -0.96 -0.12 0.00 -0.51 0.00 0.00 35.03 33.44 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ka7 s VAL 19 N -1.09 1.34 -0.02 -0.18 1.01 -1.26 -1.10 120.40 119.10 2ka7 s VAL 19 Ca 0.06 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.73 2ka7 s VAL 19 Cb 0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2ka7 s VAL 19 CO 0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 175.10 174.71 2ka7 s ALA 20 N -1.22 2.27 -0.07 5.51 0.00 -0.14 -1.50 121.76 126.61 2ka7 s ALA 20 Ca 0.01 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 2ka7 s ALA 20 Cb -0.10 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2ka7 s ALA 20 CO 0.03 0.54 0.48 0.99 0.00 0.00 0.00 175.76 177.80 2ka7 s THR 21 N -0.65 5.09 -0.08 0.00 2.01 -0.67 -1.63 115.64 119.71 2ka7 s THR 21 Ca 0.10 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2ka7 s THR 21 Cb -0.10 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2ka7 s THR 21 CO -0.00 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.57 2ka7 s VAL 22 N 0.07 3.67 0.22 3.82 1.01 -0.64 -0.78 120.40 127.77 2ka7 s VAL 22 Ca 0.26 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2ka7 s VAL 22 Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2ka7 s VAL 22 CO 0.12 0.59 0.36 -0.83 0.00 0.00 0.00 175.10 175.34 2ka7 s GLY 23 N -0.64 0.73 0.50 4.51 0.00 -1.22 -0.97 107.32 110.22 2ka7 s GLY 23 Ca 0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 2ka7 s GLY 23 CO 0.02 -0.84 0.84 -0.26 0.00 0.00 0.00 173.10 172.85 2ka7 s ILE 24 N -4.04 4.85 0.66 0.90 -4.36 -1.26 -1.60 121.20 116.35 2ka7 s ILE 24 Ca 0.25 0.41 -0.07 0.00 -0.26 0.00 0.00 60.65 60.99 2ka7 s ILE 24 Cb 0.02 -3.84 0.04 0.00 1.25 0.00 0.00 42.46 39.92 2ka7 s ILE 24 CO 0.08 -0.86 0.98 0.42 0.24 0.00 0.00 174.94 175.80 2ka7 s THR 25 N -2.77 2.91 0.25 8.37 -4.23 -0.11 -4.46 115.64 115.60 2ka7 s THR 25 Ca 0.50 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2ka7 s THR 25 Cb -0.10 -3.22 0.22 0.00 1.34 0.00 0.00 72.50 70.74 2ka7 s THR 25 CO 0.44 -0.23 1.80 -1.13 -0.54 0.00 0.00 174.62 174.96 2ka7 h ASN 26 N -0.45 0.64 0.00 3.99 -0.73 -1.93 -1.42 115.58 115.68 2ka7 h ASN 26 Ca -0.45 0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.78 2ka7 h ASN 26 Cb 1.29 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.82 2ka7 h ASN 26 CO 0.61 0.34 0.06 1.57 -0.37 0.00 0.00 177.43 179.63 2ka7 n HIS 27 N -4.78 0.00 -0.11 0.67 -0.00 -1.26 -1.66 115.22 108.08 2ka7 n HIS 27 Ca 0.15 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.12 2ka7 n HIS 27 Cb 0.33 -0.41 -0.09 0.00 -0.12 0.00 0.00 29.99 29.70 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 -1.41 1.55 0.25 1.57 0.00 -0.55 -4.27 120.51 117.66 2ka7 n ALA 28 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 52.69 2ka7 n ALA 28 Cb 0.06 0.15 0.83 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.54 0.00 -0.88 0.00 -0.00 -1.37 -1.15 115.11 111.15 2ka7 h GLN 29 Ca -0.54 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.17 2ka7 h GLN 29 Cb 1.57 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.99 2ka7 h GLN 29 CO -0.26 0.00 0.58 0.93 -0.00 0.00 0.00 178.83 180.08 2ka7 h GLU 30 N 0.00 0.99 0.00 0.06 4.39 -1.51 0.63 114.58 119.14 2ka7 h GLU 30 Ca 0.03 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2ka7 h GLU 30 Cb 0.17 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2ka7 h GLU 30 CO -0.00 0.66 -0.26 1.96 -1.16 0.00 0.00 179.01 180.21 2ka7 h GLN 31 N 1.02 0.00 0.00 2.33 1.08 -1.39 -3.34 115.11 114.81 2ka7 h GLN 31 Ca 0.37 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.27 2ka7 h GLN 31 Cb 0.16 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 2ka7 h GLN 31 CO -0.13 0.00 -2.15 1.28 -0.95 0.00 0.00 178.83 176.88 2ka7 n LEU 32 N -2.98 0.57 0.00 1.46 4.77 -1.03 -5.07 117.00 114.72 2ka7 n LEU 32 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2ka7 n LEU 32 Cb 0.53 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2ka7 n LEU 32 CO 0.36 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2ka7 n GLY 33 N 2.08 3.65 3.63 -0.72 0.00 0.18 -4.60 105.19 109.42 2ka7 n GLY 33 Ca -0.29 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 6.07 0.31 1.61 1.01 -1.26 -4.85 116.67 115.56 2ka7 s ASP 34 Ca 0.00 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.34 2ka7 s ASP 34 Cb 0.00 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.42 2ka7 s ASP 34 CO 0.00 -1.44 0.08 0.52 0.21 0.00 0.00 175.17 174.54 2ka7 n VAL 35 N 6.59 0.00 0.00 -1.27 0.31 -1.26 -3.49 118.33 119.21 2ka7 n VAL 35 Ca 0.23 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2ka7 n VAL 35 Cb 0.44 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 -1.39 0.00 -3.65 2.52 3.14 -1.26 -4.62 118.33 113.07 2ka7 n VAL 36 Ca 0.01 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.29 2ka7 n VAL 36 Cb 0.05 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.40 -0.18 0.01 1.45 5.04 -1.00 -4.85 117.35 117.42 2ka7 s TYR 37 Ca 0.00 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.47 2ka7 s TYR 37 Cb 0.00 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 2ka7 s TYR 37 CO 0.00 -0.71 0.01 0.14 -1.34 0.00 0.00 175.55 173.65 2ka7 s VAL 38 N -3.81 0.06 0.26 3.14 -7.23 -1.26 -3.20 120.40 108.36 2ka7 s VAL 38 Ca 0.04 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 2ka7 s VAL 38 Cb 0.02 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.69 2ka7 s VAL 38 CO -0.11 -0.28 0.60 -0.62 -0.31 0.00 0.00 175.10 174.37 2ka7 s ASP 39 N -0.85 6.65 0.08 4.85 2.15 0.16 -4.76 116.67 124.96 2ka7 s ASP 39 Ca -0.09 1.00 0.03 0.00 0.43 0.00 0.00 52.55 53.91 2ka7 s ASP 39 Cb -0.06 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 2ka7 s ASP 39 CO -0.00 -0.11 -0.08 -0.76 -0.17 0.00 0.00 175.17 174.04 2ka7 s LEU 40 N -2.89 2.40 0.00 -1.34 1.43 -1.26 -3.71 118.68 113.31 2ka7 s LEU 40 Ca 0.49 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2ka7 s LEU 40 Cb -0.11 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2ka7 s LEU 40 CO 0.21 -0.31 0.00 -0.81 0.23 0.00 0.00 176.35 175.66 2ka7 n PRO 41 N 0.60 0.83 -4.16 1.29 -0.04 -0.95 -4.90 135.00 127.66 2ka7 n PRO 41 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2ka7 n PRO 41 Cb 0.58 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 2ka7 n PRO 41 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ka7 s GLU 42 N -0.82 2.59 0.00 0.54 2.12 -1.26 -5.03 118.70 116.84 2ka7 s GLU 42 Ca 0.00 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2ka7 s GLU 42 Cb 0.00 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.83 2ka7 s GLU 42 CO 0.00 0.56 0.01 1.55 -0.54 0.00 0.00 175.26 176.84 2ka7 n VAL 43 N 0.73 0.00 -1.93 3.70 3.14 -1.26 -1.30 118.33 121.41 2ka7 n VAL 43 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2ka7 n VAL 43 Cb 0.52 -0.43 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 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 -0.35 0.62 3.76 7.55 0.00 -1.11 -3.86 105.19 111.79 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 4.74 0.51 1.61 3.52 -0.42 -4.82 118.95 124.09 2ka7 s ARG 45 Ca 0.00 1.49 -0.13 0.00 -0.13 0.00 0.00 55.73 56.96 2ka7 s ARG 45 Cb 0.00 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 30.20 2ka7 s ARG 45 CO 0.00 0.40 0.93 -2.00 -0.81 0.00 0.00 175.30 173.82 2ka7 s GLU 46 N -1.48 3.81 0.07 5.12 2.12 -1.26 -0.36 118.70 126.72 2ka7 s GLU 46 Ca 0.44 0.74 -0.00 0.00 0.36 0.00 0.00 54.97 56.51 2ka7 s GLU 46 Cb -0.25 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 2ka7 s GLU 46 CO 0.31 -0.27 -0.03 0.14 -0.54 0.00 0.00 175.26 174.88 2ka7 s VAL 47 N -2.68 0.31 0.27 3.70 -7.23 0.22 -4.87 120.40 110.12 2ka7 s VAL 47 Ca 0.55 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.96 2ka7 s VAL 47 Cb -0.10 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2ka7 s VAL 47 CO 0.37 -0.90 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.60 2ka7 s LYS 48 N -3.92 1.55 0.00 4.82 -0.14 -1.26 -1.88 119.74 118.91 2ka7 s LYS 48 Ca 0.10 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 52.96 2ka7 s LYS 48 Cb 0.07 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.89 2ka7 s LYS 48 CO -0.07 0.15 0.50 0.36 -0.76 0.00 0.00 175.35 175.52 2ka7 n LYS 49 N -0.56 0.75 -0.42 1.68 2.85 -1.24 -1.90 118.16 119.31 2ka7 n LYS 49 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2ka7 n LYS 49 Cb 0.62 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.71 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 0.29 0.61 3.77 2.58 0.00 -1.11 -4.62 105.19 106.71 2ka7 n GLY 50 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2ka7 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ka7 s GLU 51 N 0.00 4.55 -0.47 1.61 2.02 -0.80 -4.67 118.70 120.95 2ka7 s GLU 51 Ca 0.00 1.46 -0.18 0.00 0.02 0.00 0.00 54.97 56.28 2ka7 s GLU 51 Cb 0.00 -2.89 0.05 0.00 0.10 0.00 0.00 34.13 31.39 2ka7 s GLU 51 CO 0.00 0.22 0.53 0.08 0.02 0.00 0.00 175.26 176.11 2ka7 s VAL 52 N -1.48 5.01 0.00 2.63 1.01 -1.26 -0.41 120.40 125.89 2ka7 s VAL 52 Ca 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2ka7 s VAL 52 Cb -0.23 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2ka7 s VAL 52 CO 0.28 -0.64 0.11 1.33 0.00 0.00 0.00 175.10 176.19 2ka7 n VAL 53 N 5.49 0.00 -2.69 2.92 0.24 -1.21 -4.90 118.33 118.19 2ka7 n VAL 53 Ca -0.08 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.02 2ka7 n VAL 53 Cb 0.46 1.50 0.12 0.00 -1.47 0.00 0.00 33.84 34.45 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 -0.08 1.84 -0.81 2.33 0.00 -1.26 -2.24 120.51 120.28 2ka7 n ALA 54 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 53.44 51.93 2ka7 n ALA 54 Cb 0.13 -0.93 0.11 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.95 -2.45 -3.88 0.00 2.88 -1.24 -3.91 113.62 104.06 2ka7 n SER 55 Ca -0.09 0.31 -0.29 0.00 -1.33 0.00 0.00 58.87 57.48 2ka7 n SER 55 Cb 0.86 -1.16 -0.16 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.36 1.20 -0.15 2.46 1.01 -0.45 -0.66 121.20 122.26 2ka7 s ILE 56 Ca 0.55 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2ka7 s ILE 56 Cb -0.21 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2ka7 s ILE 56 CO 0.69 -0.05 -0.04 -1.61 0.00 0.00 0.00 174.94 173.93 2ka7 s GLU 57 N 1.56 3.59 0.14 2.79 8.01 -1.19 -0.61 118.70 132.98 2ka7 s GLU 57 Ca -0.03 -0.51 0.01 0.00 0.01 0.00 0.00 54.97 54.45 2ka7 s GLU 57 Cb -0.17 -2.89 0.01 0.00 -4.31 0.00 0.00 34.13 26.76 2ka7 s GLU 57 CO -0.07 0.29 0.08 -1.13 0.01 0.00 0.00 175.26 174.43 2ka7 n SER 58 N 3.39 1.69 -0.29 -0.19 3.41 -0.36 -2.37 113.62 118.90 2ka7 n SER 58 Ca -0.17 -1.50 0.10 0.00 -0.26 0.00 0.00 58.87 57.03 2ka7 n SER 58 Cb 0.53 0.02 0.25 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.68 0.51 -1.33 -3.33 -1.51 -1.84 -3.34 116.25 106.10 2ka7 h VAL 59 Ca -0.09 -0.13 -0.18 0.00 -1.23 0.00 0.00 66.70 65.06 2ka7 h VAL 59 Cb 0.32 0.10 -0.23 0.00 -2.13 0.00 0.00 31.29 29.36 2ka7 h VAL 59 CO 0.15 0.07 -0.55 -0.54 -1.23 0.00 0.00 177.57 175.47 2ka7 s LYS 60 N -5.95 0.82 0.00 5.19 3.01 -1.26 -5.15 119.74 116.39 2ka7 s LYS 60 Ca -0.12 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.20 2ka7 s LYS 60 Cb 0.24 -0.22 0.00 0.00 -1.01 0.00 0.00 37.83 36.83 2ka7 s LYS 60 CO 0.77 -1.22 0.00 0.00 0.51 0.00 0.00 175.35 175.41 2ka7 n ALA 61 N 4.06 0.00 -2.74 5.17 0.00 -1.25 -5.14 120.51 120.61 2ka7 n ALA 61 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 2ka7 n ALA 61 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 2ka7 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka7 s ALA 62 N -2.00 0.90 -0.31 0.00 0.00 -1.26 -1.22 121.76 117.87 2ka7 s ALA 62 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2ka7 s ALA 62 Cb 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.14 2ka7 s ALA 62 CO 0.00 0.12 0.10 0.00 0.00 0.00 0.00 175.76 175.98 2ka7 s ALA 63 N -1.06 1.46 0.02 0.00 0.00 0.22 -5.01 121.76 117.38 2ka7 s ALA 63 Ca -0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 2ka7 s ALA 63 Cb -0.09 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 2ka7 s ALA 63 CO 0.01 -1.67 1.74 -0.51 0.00 0.00 0.00 175.76 175.33 2ka7 s ASP 64 N 1.65 6.58 -0.15 0.00 1.01 -1.26 -1.34 116.67 123.15 2ka7 s ASP 64 Ca 0.10 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 55.52 2ka7 s ASP 64 Cb -0.17 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 2ka7 s ASP 64 CO -0.26 -0.95 0.99 -0.69 0.21 0.00 0.00 175.17 174.47 2ka7 s VAL 65 N 3.64 4.77 -0.44 -1.27 1.01 -1.25 -4.95 120.40 121.90 2ka7 s VAL 65 Ca 0.78 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 64.60 2ka7 s VAL 65 Cb -0.38 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 31.79 2ka7 s VAL 65 CO 0.34 -0.04 0.32 -0.31 0.00 0.00 0.00 175.10 175.40 2ka7 s TYR 66 N 2.38 3.29 -0.18 5.22 1.51 -1.26 -3.32 117.35 125.00 2ka7 s TYR 66 Ca 0.45 -1.23 -0.16 0.00 -1.01 0.00 0.00 57.07 55.12 2ka7 s TYR 66 Cb -0.17 -3.02 -0.07 0.00 -0.11 0.00 0.00 41.96 38.59 2ka7 s TYR 66 CO 0.13 -0.81 0.70 0.00 -1.11 0.00 0.00 175.55 174.46 2ka7 n ALA 67 N 5.05 -0.09 0.04 3.71 0.00 0.45 -4.74 120.51 124.93 2ka7 n ALA 67 Ca -0.11 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2ka7 n ALA 67 Cb 0.43 -0.72 0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 2.76 0.40 -5.23 0.00 0.13 -1.87 -2.95 132.00 125.24 2ka7 h PRO 68 Ca -0.07 -0.21 -0.42 0.00 -0.87 0.00 0.00 66.00 64.42 2ka7 h PRO 68 Cb 0.50 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.49 2ka7 h PRO 68 CO 0.37 0.77 -0.66 -0.51 -0.23 0.00 0.00 178.00 177.75 2ka7 s LEU 69 N -8.32 2.29 0.62 1.56 2.01 -1.26 -4.78 118.68 110.80 2ka7 s LEU 69 Ca -0.06 -1.22 -0.17 0.00 0.01 0.00 0.00 54.13 52.69 2ka7 s LEU 69 Cb 0.13 -0.40 -0.02 0.00 0.01 0.00 0.00 46.19 45.91 2ka7 s LEU 69 CO 0.80 -0.47 1.16 -0.44 1.01 0.00 0.00 176.35 178.41 2ka7 s SER 70 N -3.36 5.14 0.00 2.29 0.01 -1.26 -3.69 113.70 112.83 2ka7 s SER 70 Ca 0.29 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.76 2ka7 s SER 70 Cb 0.05 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2ka7 s SER 70 CO 0.10 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2ka7 n GLY 71 N 0.08 -0.46 2.92 3.44 0.00 -0.79 -4.33 105.19 106.05 2ka7 n GLY 71 Ca 0.12 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 0.08 0.40 1.61 2.36 -0.92 -0.61 119.74 120.66 2ka7 s LYS 72 Ca 0.00 0.30 -0.26 0.00 -2.55 0.00 0.00 55.97 53.46 2ka7 s LYS 72 Cb 0.00 -0.13 -0.08 0.00 -1.05 0.00 0.00 37.83 36.56 2ka7 s LYS 72 CO 0.00 -0.13 1.22 0.42 1.55 0.00 0.00 175.35 178.41 2ka7 s ILE 73 N 0.91 2.95 0.00 5.43 -1.09 0.52 -0.13 121.20 129.78 2ka7 s ILE 73 Ca -0.07 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 2ka7 s ILE 73 Cb -0.09 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2ka7 s ILE 73 CO -0.04 0.09 0.00 1.33 -1.23 0.00 0.00 174.94 175.09 2ka7 n VAL 74 N 0.10 0.00 -3.49 2.92 0.24 -0.41 -2.77 118.33 114.92 2ka7 n VAL 74 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.45 1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 34.17 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 1.21 0.02 7.34 2.12 -0.95 -4.93 118.70 123.52 2ka7 s GLU 75 Ca 0.00 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 2ka7 s GLU 75 Cb 0.00 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.92 2ka7 s GLU 75 CO 0.00 -0.51 0.01 0.14 -0.54 0.00 0.00 175.26 174.36 2ka7 s VAL 76 N -3.72 0.13 -1.12 3.70 -7.23 -1.26 -0.59 120.40 110.31 2ka7 s VAL 76 Ca 0.01 -1.05 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 2ka7 s VAL 76 Cb -0.00 -0.57 0.28 0.00 0.56 0.00 0.00 36.38 36.65 2ka7 s VAL 76 CO -0.12 -0.58 1.30 -3.20 -0.31 0.00 0.00 175.10 172.19 2ka7 n ASN 77 N 1.23 5.80 0.06 4.85 5.15 -0.04 -4.86 115.26 127.45 2ka7 n ASN 77 Ca -0.22 -3.17 0.03 0.00 -0.60 0.00 0.00 54.58 50.63 2ka7 n ASN 77 Cb 0.56 -1.36 0.18 0.00 -0.53 0.00 0.00 39.78 38.63 2ka7 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ka7 n GLU 78 N 2.48 0.04 -0.23 1.20 -0.58 -1.26 -1.03 120.64 121.26 2ka7 n GLU 78 Ca 0.26 0.50 0.09 0.00 -0.42 0.00 0.00 57.16 57.59 2ka7 n GLU 78 Cb 0.37 -1.71 0.36 0.00 -0.57 0.00 0.00 31.44 29.89 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2ka7 h LYS 79 N 0.00 0.72 0.00 3.49 1.79 -1.96 -3.24 116.57 117.37 2ka7 h LYS 79 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ka7 h LYS 79 Cb 0.14 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2ka7 h LYS 79 CO 0.00 0.48 0.00 1.28 -1.08 0.00 0.00 179.45 180.13 2ka7 n LEU 80 N -4.51 0.06 -0.33 2.94 7.99 -0.20 -0.58 117.00 122.37 2ka7 n LEU 80 Ca 0.14 0.51 -0.04 0.00 -0.01 0.00 0.00 56.01 56.61 2ka7 n LEU 80 Cb 0.33 -0.50 0.01 0.00 -0.11 0.00 0.00 43.42 43.15 2ka7 n LEU 80 CO 0.32 -0.21 0.58 -0.78 -1.51 0.00 0.00 177.39 175.78 2ka7 h ASP 81 N 0.00 -1.48 -0.00 -1.43 1.82 -1.79 -2.39 116.42 111.15 2ka7 h ASP 81 Ca 0.00 0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2ka7 h ASP 81 Cb 0.32 0.74 0.00 0.00 0.68 0.00 0.00 39.33 41.07 2ka7 h ASP 81 CO 0.00 -0.29 -0.03 0.35 -1.61 0.00 0.00 179.24 177.66 2ka7 n THR 82 N -5.43 0.00 -2.91 2.25 -2.24 -0.03 -4.63 114.28 101.28 2ka7 n THR 82 Ca 0.07 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 2ka7 n THR 82 Cb 0.37 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.36 1.94 0.17 -0.78 -0.58 0.26 -4.86 120.64 116.43 2ka7 n GLU 83 Ca 0.01 -3.89 0.03 0.00 -0.42 0.00 0.00 57.16 52.88 2ka7 n GLU 83 Cb 0.03 -1.82 0.29 0.00 -0.57 0.00 0.00 31.44 29.37 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 2.94 0.00 0.00 3.49 0.13 -1.66 -2.81 132.00 134.09 2ka7 h PRO 84 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.63 0.46 0.00 0.93 -0.23 0.00 0.00 178.00 179.79 2ka7 h GLU 85 N 0.00 0.00 0.00 0.86 5.08 -1.88 -2.49 114.58 116.15 2ka7 h GLU 85 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ka7 h GLU 85 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2ka7 h GLU 85 CO 0.06 0.00 -0.02 1.25 -1.00 0.00 0.00 179.01 179.30 2ka7 h LEU 86 N 0.00 0.00 -1.12 1.33 7.12 -1.88 0.12 115.31 120.87 2ka7 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2ka7 h LEU 86 Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 2ka7 h LEU 86 CO 0.00 0.02 0.00 -0.38 -0.13 0.00 0.00 178.44 177.95 2ka7 n ILE 87 N -3.34 0.94 -0.07 4.05 5.41 -0.94 -0.31 119.36 125.10 2ka7 n ILE 87 Ca -0.02 0.51 -0.10 0.00 1.00 0.00 0.00 62.75 64.14 2ka7 n ILE 87 Cb 0.12 -1.49 -0.06 0.00 -0.71 0.00 0.00 39.64 37.50 2ka7 n ILE 87 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2ka7 h ASN 88 N 0.00 0.00 0.01 4.38 2.35 -0.99 -3.23 115.58 118.11 2ka7 h ASN 88 Ca 0.00 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 2ka7 h ASN 88 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2ka7 h ASN 88 CO 0.00 0.93 -0.08 0.11 -1.65 0.00 0.00 177.43 176.74 2ka7 h LYS 89 N -1.00 0.17 -0.63 0.81 1.79 -1.12 -3.37 116.57 113.23 2ka7 h LYS 89 Ca -0.09 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.21 2ka7 h LYS 89 Cb 0.70 -0.03 -0.15 0.00 -1.58 0.00 0.00 32.23 31.16 2ka7 h LYS 89 CO -0.05 0.26 -0.43 -3.47 -1.08 0.00 0.00 179.45 174.68 2ka7 n ASP 90 N -4.35 -3.01 0.27 0.86 -0.08 0.58 -5.02 116.55 105.80 2ka7 n ASP 90 Ca -0.01 -2.74 0.18 0.00 -1.51 0.00 0.00 54.79 50.71 2ka7 n ASP 90 Cb 0.21 1.62 0.98 0.00 2.34 0.00 0.00 41.12 46.26 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 4.59 0.00 0.00 -0.67 0.13 -1.58 0.11 132.00 134.58 2ka7 h PRO 91 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ka7 h PRO 91 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2ka7 h PRO 91 CO 0.06 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.21 2ka7 n GLU 92 N -2.76 2.22 0.00 0.86 1.02 -1.26 -4.08 120.64 116.63 2ka7 n GLU 92 Ca -0.02 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 2ka7 n GLU 92 Cb 0.07 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.56 1.46 0.24 0.62 0.00 -0.69 -4.94 105.19 101.32 2ka7 n GLY 93 Ca 0.02 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 1.61 4.39 -1.89 -2.99 114.58 114.72 2ka7 h GLU 94 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2ka7 h GLU 94 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2ka7 h GLU 94 CO 0.00 0.00 0.10 0.41 -1.16 0.00 0.00 179.01 178.36 2ka7 n GLY 95 N 0.03 2.34 3.63 -3.84 0.00 -0.06 -4.93 105.19 102.36 2ka7 n GLY 95 Ca 0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.93 1.82 -0.04 1.61 1.48 -1.13 -4.63 118.94 117.12 2ka7 s TRP 96 Ca 0.13 1.32 -0.08 0.00 -1.06 0.00 0.00 56.10 56.41 2ka7 s TRP 96 Cb 0.10 -3.18 -0.03 0.00 -1.16 0.00 0.00 33.47 29.20 2ka7 s TRP 96 CO 0.03 -3.04 -0.16 1.28 -4.06 0.00 0.00 176.95 171.00 2ka7 n LEU 97 N -4.34 1.39 -4.02 -4.66 4.77 -0.14 -4.75 117.00 105.25 2ka7 n LEU 97 Ca 0.06 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2ka7 n LEU 97 Cb 0.54 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2ka7 n LEU 97 CO 0.55 -0.51 0.06 0.72 -1.33 0.00 0.00 177.39 176.88 2ka7 s PHE 98 N -2.32 0.51 0.00 -1.77 -0.12 -1.20 -0.86 117.98 112.22 2ka7 s PHE 98 Ca -0.13 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 55.98 2ka7 s PHE 98 Cb 0.02 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 2ka7 s PHE 98 CO 0.20 -0.87 -0.22 0.15 -0.05 0.00 0.00 175.22 174.43 2ka7 s LYS 99 N -4.03 1.64 -0.02 1.99 1.02 0.25 -1.63 119.74 118.96 2ka7 s LYS 99 Ca 0.24 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 2ka7 s LYS 99 Cb 0.02 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2ka7 s LYS 99 CO 0.07 0.44 0.06 0.00 -0.92 0.00 0.00 175.35 175.01 2ka7 s MET 100 N -0.75 0.07 0.19 1.68 0.23 -0.65 -1.29 119.30 118.79 2ka7 s MET 100 Ca 0.08 0.07 -0.30 0.00 -1.03 0.00 0.00 55.69 54.52 2ka7 s MET 100 Cb -0.09 0.04 -0.08 0.00 -1.53 0.00 0.00 34.83 33.17 2ka7 s MET 100 CO 0.00 -0.01 1.10 -2.00 -2.03 0.00 0.00 175.02 172.08 2ka7 s GLU 101 N 0.00 4.60 -0.30 3.16 2.12 0.81 -0.97 118.70 128.13 2ka7 s GLU 101 Ca -0.00 1.74 -0.23 0.00 0.36 0.00 0.00 54.97 56.83 2ka7 s GLU 101 Cb -0.01 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.12 2ka7 s GLU 101 CO 0.00 0.09 0.77 0.96 -0.54 0.00 0.00 175.26 176.54 2ka7 s ILE 102 N -0.37 4.82 -0.48 -3.70 -4.36 -0.26 -2.18 121.20 114.68 2ka7 s ILE 102 Ca 0.49 1.18 0.24 0.00 -0.26 0.00 0.00 60.65 62.30 2ka7 s ILE 102 Cb -0.30 -4.12 0.21 0.00 1.25 0.00 0.00 42.46 39.50 2ka7 s ILE 102 CO 0.36 -0.20 1.47 -1.28 0.24 0.00 0.00 174.94 175.52 2ka7 h SER 103 N 8.07 0.00 -2.27 4.36 0.87 -1.89 -3.45 113.55 119.24 2ka7 h SER 103 Ca -0.25 -0.03 -0.51 0.00 -1.23 0.00 0.00 61.79 59.78 2ka7 h SER 103 Cb 1.10 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.71 2ka7 h SER 103 CO 0.87 0.02 -0.83 -1.81 -0.53 0.00 0.00 176.83 174.55 2ka7 s ASP 104 N -5.39 1.81 0.11 6.23 1.01 -1.26 -4.97 116.67 114.21 2ka7 s ASP 104 Ca 0.06 -2.27 0.23 0.00 0.71 0.00 0.00 52.55 51.27 2ka7 s ASP 104 Cb 0.09 -0.04 0.90 0.00 1.01 0.00 0.00 42.92 44.88 2ka7 s ASP 104 CO 0.69 -0.24 1.70 1.21 0.21 0.00 0.00 175.17 178.74 2ka7 n GLU 105 N 3.68 0.10 0.42 8.23 2.13 -1.26 -3.45 120.64 130.49 2ka7 n GLU 105 Ca 0.17 0.23 -0.19 0.00 0.66 0.00 0.00 57.16 58.04 2ka7 n GLU 105 Cb 0.43 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.39 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 3.40 -1.09 1.19 8.31 0.00 -2.01 -3.06 103.07 109.80 2ka7 h GLY 106 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2ka7 h GLY 106 CO 0.00 -0.40 0.00 1.18 0.00 0.00 0.00 176.54 177.32 2ka7 n GLU 107 N -5.54 0.38 -0.25 4.80 1.02 -1.22 -0.90 120.64 118.93 2ka7 n GLU 107 Ca -0.15 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 2ka7 n GLU 107 Cb 0.42 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.96 -0.21 -4.62 3.38 -1.68 -2.53 115.31 110.61 2ka7 h LEU 108 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ka7 h LEU 108 Cb 0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2ka7 h LEU 108 CO 0.00 0.78 -0.12 -0.62 0.09 0.00 0.00 178.44 178.56 2ka7 n GLU 109 N -4.35 0.61 0.22 1.13 -0.58 -0.08 -2.68 120.64 114.92 2ka7 n GLU 109 Ca 0.08 -0.21 0.15 0.00 -0.42 0.00 0.00 57.16 56.76 2ka7 n GLU 109 Cb 0.10 -1.50 0.48 0.00 -0.57 0.00 0.00 31.44 29.95 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 0.51 0.00 -0.66 1.62 3.58 -1.52 -3.46 116.42 116.49 2ka7 h ASP 110 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka7 h ASP 110 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2ka7 h ASP 110 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2ka7 n LEU 111 N -2.90 0.00 -4.54 2.28 4.77 -1.09 -5.10 117.00 110.42 2ka7 n LEU 111 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2ka7 n LEU 111 Cb 0.37 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2ka7 n LEU 111 CO 0.29 0.00 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.21 2ka7 s LEU 112 N 0.00 3.16 1.22 2.23 1.43 -1.14 -4.99 118.68 120.59 2ka7 s LEU 112 Ca 0.00 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2ka7 s LEU 112 Cb 0.00 -1.71 0.30 0.00 0.03 0.00 0.00 46.19 44.80 2ka7 s LEU 112 CO 0.00 0.28 1.02 -1.81 0.23 0.00 0.00 176.35 176.07 2ka7 s ASP 113 N -0.32 0.63 0.08 2.29 1.01 -1.26 -1.66 116.67 117.44 2ka7 s ASP 113 Ca 0.05 1.21 -0.21 0.00 0.71 0.00 0.00 52.55 54.31 2ka7 s ASP 113 Cb -0.13 -1.84 -0.10 0.00 1.01 0.00 0.00 42.92 41.86 2ka7 s ASP 113 CO 0.02 -4.37 1.62 -0.08 0.21 0.00 0.00 175.17 172.57 2ka7 h GLU 114 N -2.74 0.23 -0.69 8.23 4.81 -1.96 0.24 114.58 122.71 2ka7 h GLU 114 Ca -0.56 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.57 2ka7 h GLU 114 Cb 1.34 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 2ka7 h GLU 114 CO 0.45 0.32 0.19 0.37 -0.73 0.00 0.00 179.01 179.62 2ka7 h GLN 115 N 0.09 1.08 -0.20 1.92 4.15 -1.98 0.79 115.11 120.97 2ka7 h GLN 115 Ca 0.05 -0.25 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 2ka7 h GLN 115 Cb 0.18 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2ka7 h GLN 115 CO -0.00 0.95 -0.35 0.00 -1.93 0.00 0.00 178.83 177.50 2ka7 h ALA 116 N 1.09 1.03 -0.37 3.38 0.00 -1.88 -1.07 119.26 121.45 2ka7 h ALA 116 Ca 0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ka7 h ALA 116 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ka7 h ALA 116 CO -0.00 0.59 0.06 -0.92 0.00 0.00 0.00 179.25 178.98 2ka7 h TYR 117 N 0.36 0.65 -0.77 0.00 3.20 -0.17 -1.94 116.97 118.30 2ka7 h TYR 117 Ca 0.04 -0.09 0.11 0.00 3.14 0.00 0.00 58.73 61.93 2ka7 h TYR 117 Cb 0.78 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 2ka7 h TYR 117 CO 0.02 0.66 0.39 0.37 -1.64 0.00 0.00 178.16 177.96 2ka7 h GLN 118 N 0.45 0.60 -0.23 1.82 4.15 -0.50 0.19 115.11 121.60 2ka7 h GLN 118 Ca 0.11 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.52 2ka7 h GLN 118 Cb 0.36 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 2ka7 h GLN 118 CO 0.01 0.40 0.06 1.49 -1.93 0.00 0.00 178.83 178.85 2ka7 h GLU 119 N 0.62 0.15 0.00 1.69 4.81 -0.99 -1.86 114.58 119.00 2ka7 h GLU 119 Ca 0.39 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 2ka7 h GLU 119 Cb 0.47 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ka7 h GLU 119 CO -0.30 0.10 -0.15 0.35 -0.73 0.00 0.00 179.01 178.27 2ka7 h PHE 120 N 0.15 0.00 0.00 0.92 3.57 -0.46 -0.64 116.94 120.48 2ka7 h PHE 120 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2ka7 h PHE 120 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2ka7 h PHE 120 CO -0.14 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 176.09 2ka7 n ALA 122 N -1.36 3.57 1.49 0.00 0.00 -0.26 -4.31 120.51 119.65 2ka7 n ALA 122 Ca 0.07 -0.46 0.14 0.00 0.00 0.00 0.00 53.44 53.19 2ka7 n ALA 122 Cb 0.16 -0.91 0.56 0.00 0.00 0.00 0.00 19.45 19.27 2ka7 n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ka7 n GLN 123 N -1.92 1.22 0.00 0.00 1.13 -0.39 -5.13 117.38 112.29 2ka7 n GLN 123 Ca 0.01 -0.60 0.00 0.00 -1.94 0.00 0.00 57.00 54.47 2ka7 n GLN 123 Cb 0.43 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71