#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 1.70 -0.26 2.12 0.00 -1.26 -4.26 119.74 117.78 2ka7 s LYS 2 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 55.97 54.71 2ka7 s LYS 2 Cb 0.00 -1.93 0.09 0.00 0.00 0.00 0.00 37.83 35.99 2ka7 s LYS 2 CO 0.00 0.49 0.60 1.41 0.00 0.00 0.00 175.35 177.85 2ka7 s MET 3 N -1.38 0.57 -0.19 1.78 1.75 -0.08 -4.99 119.30 116.75 2ka7 s MET 3 Ca 0.12 1.20 -0.03 0.00 -1.25 0.00 0.00 55.69 55.73 2ka7 s MET 3 Cb -0.10 0.36 0.06 0.00 2.84 0.00 0.00 34.83 37.99 2ka7 s MET 3 CO 0.03 -0.18 0.05 0.21 -0.65 0.00 0.00 175.02 174.48 2ka7 s LYS 4 N 2.11 0.54 0.55 4.11 2.20 -1.26 -0.68 119.74 127.31 2ka7 s LYS 4 Ca -0.08 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 55.23 2ka7 s LYS 4 Cb -0.09 -2.05 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 2ka7 s LYS 4 CO -0.18 -0.66 0.59 0.15 -0.36 0.00 0.00 175.35 174.89 2ka7 s LYS 5 N 1.91 2.30 0.05 4.03 -0.14 -1.24 -4.63 119.74 122.02 2ka7 s LYS 5 Ca 0.00 -1.81 -0.06 0.00 -1.36 0.00 0.00 55.97 52.75 2ka7 s LYS 5 Cb -0.17 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.58 2ka7 s LYS 5 CO -0.09 -0.71 0.10 0.71 -0.76 0.00 0.00 175.35 174.60 2ka7 s TYR 6 N -2.70 0.24 0.52 3.18 1.51 0.22 -0.73 117.35 119.59 2ka7 s TYR 6 Ca 0.48 -0.63 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 2ka7 s TYR 6 Cb -0.04 -0.16 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 2ka7 s TYR 6 CO 0.30 -0.42 0.35 0.95 -1.11 0.00 0.00 175.55 175.62 2ka7 s THR 7 N -3.23 1.73 -1.06 -0.71 -4.23 -0.06 -2.14 115.64 105.95 2ka7 s THR 7 Ca 0.00 -1.55 0.27 0.00 -1.18 0.00 0.00 61.69 59.24 2ka7 s THR 7 Cb 0.02 -2.27 0.26 0.00 1.34 0.00 0.00 72.50 71.85 2ka7 s THR 7 CO -0.07 0.00 1.88 0.29 -0.54 0.00 0.00 174.62 176.18 2ka7 n LYS 8 N -1.66 0.05 -1.75 3.99 5.02 -1.26 -3.77 118.16 118.78 2ka7 n LYS 8 Ca -0.03 0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 2ka7 n LYS 8 Cb 0.64 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2ka7 n LYS 8 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2ka7 n THR 9 N -1.47 3.11 -4.01 -0.18 5.66 -1.26 -4.92 114.28 111.21 2ka7 n THR 9 Ca 0.07 -3.74 -0.33 0.00 -3.05 0.00 0.00 64.05 57.01 2ka7 n THR 9 Cb 0.30 -1.17 -0.02 0.00 -1.55 0.00 0.00 70.33 67.90 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 -0.76 -1.55 -4.37 1.09 1.44 -1.25 -4.85 115.22 104.97 2ka7 n HIS 10 Ca 0.53 0.49 -0.20 0.00 -2.01 0.00 0.00 57.72 56.53 2ka7 n HIS 10 Cb 0.73 -3.24 -0.13 0.00 0.12 0.00 0.00 29.99 27.47 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 -6.84 0.93 0.27 -1.40 2.12 -1.26 -1.32 118.70 111.21 2ka7 s GLU 11 Ca 0.22 -0.73 0.11 0.00 0.36 0.00 0.00 54.97 54.93 2ka7 s GLU 11 Cb -0.10 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.31 2ka7 s GLU 11 CO 0.93 0.23 -0.14 1.67 -0.54 0.00 0.00 175.26 177.41 2ka7 s TRP 12 N -0.81 2.41 0.11 5.30 1.48 0.35 -0.88 118.94 126.91 2ka7 s TRP 12 Ca 0.02 -0.30 0.06 0.00 -1.06 0.00 0.00 56.10 54.82 2ka7 s TRP 12 Cb -0.08 -1.05 -0.03 0.00 -1.16 0.00 0.00 33.47 31.14 2ka7 s TRP 12 CO 0.01 0.69 -0.15 0.08 -4.06 0.00 0.00 176.95 173.52 2ka7 s VAL 13 N -2.44 1.34 -0.40 -0.66 1.01 0.09 -1.95 120.40 117.40 2ka7 s VAL 13 Ca 0.30 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.73 2ka7 s VAL 13 Cb -0.05 -1.42 0.16 0.00 0.00 0.00 0.00 36.38 35.07 2ka7 s VAL 13 CO 0.16 -0.31 0.34 -0.44 0.00 0.00 0.00 175.10 174.85 2ka7 s SER 14 N -2.19 1.56 0.15 3.32 0.01 0.11 -3.63 113.70 113.04 2ka7 s SER 14 Ca 0.06 -2.49 -0.31 0.00 1.31 0.00 0.00 55.95 54.52 2ka7 s SER 14 Cb -0.07 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 66.00 2ka7 s SER 14 CO 0.03 -0.21 1.31 -0.63 0.41 0.00 0.00 173.24 174.15 2ka7 s ILE 15 N 0.61 3.39 0.00 1.44 1.09 0.14 -1.41 121.20 126.46 2ka7 s ILE 15 Ca 0.26 1.07 0.00 0.00 -1.10 0.00 0.00 60.65 60.88 2ka7 s ILE 15 Cb -0.07 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 2ka7 s ILE 15 CO -0.10 0.13 0.00 1.21 -0.10 0.00 0.00 174.94 176.07 2ka7 n GLU 16 N 3.23 0.00 0.00 2.79 4.07 -1.16 -0.90 120.64 128.68 2ka7 n GLU 16 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2ka7 n GLU 16 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 2ka7 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2ka7 n ASP 17 N 0.00 0.00 0.00 4.31 9.92 -1.26 -4.67 116.55 124.85 2ka7 n ASP 17 Ca 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2ka7 n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ka7 n LYS 18 N -0.07 0.34 -4.91 -1.24 5.02 -1.26 -5.04 118.16 111.00 2ka7 n LYS 18 Ca 0.00 -0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 55.40 2ka7 n LYS 18 Cb 0.00 -0.81 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.24 1.56 -0.34 -0.18 1.01 -1.26 -1.76 120.40 119.18 2ka7 s VAL 19 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2ka7 s VAL 19 Cb 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 35.06 2ka7 s VAL 19 CO 0.00 0.45 0.13 0.00 0.00 0.00 0.00 175.10 175.67 2ka7 s ALA 20 N 0.17 3.10 -0.26 5.51 0.00 0.20 -2.98 121.76 127.49 2ka7 s ALA 20 Ca -0.08 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 49.87 2ka7 s ALA 20 Cb -0.14 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 2ka7 s ALA 20 CO 0.04 -1.33 1.28 0.99 0.00 0.00 0.00 175.76 176.74 2ka7 s THR 21 N 1.44 4.21 0.28 0.00 2.01 -0.50 -2.25 115.64 120.83 2ka7 s THR 21 Ca -0.01 1.39 -0.13 0.00 0.31 0.00 0.00 61.69 63.26 2ka7 s THR 21 Cb -0.19 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2ka7 s THR 21 CO 0.04 -0.38 0.65 0.54 -0.69 0.00 0.00 174.62 174.78 2ka7 s VAL 22 N 4.09 4.79 0.18 3.82 0.11 0.47 0.07 120.40 133.93 2ka7 s VAL 22 Ca 0.55 0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 60.17 2ka7 s VAL 22 Cb -0.18 -3.62 0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2ka7 s VAL 22 CO 0.20 -0.13 0.52 -0.83 -3.33 0.00 0.00 175.10 171.53 2ka7 s GLY 23 N -2.29 -0.18 0.42 6.54 0.00 -0.82 0.32 107.32 111.31 2ka7 s GLY 23 Ca 0.51 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.93 2ka7 s GLY 23 CO 0.19 -0.22 0.88 -0.26 0.00 0.00 0.00 173.10 173.70 2ka7 s ILE 24 N -3.85 4.53 0.85 0.90 -4.36 -1.26 -0.49 121.20 117.52 2ka7 s ILE 24 Ca 0.07 1.21 -0.12 0.00 -0.26 0.00 0.00 60.65 61.55 2ka7 s ILE 24 Cb -0.01 -3.64 0.14 0.00 1.25 0.00 0.00 42.46 40.20 2ka7 s ILE 24 CO -0.05 -0.38 1.20 0.42 0.24 0.00 0.00 174.94 176.37 2ka7 s THR 25 N -2.24 2.06 0.26 8.37 -4.23 -0.43 -4.41 115.64 115.00 2ka7 s THR 25 Ca 0.58 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 2ka7 s THR 25 Cb -0.10 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 71.02 2ka7 s THR 25 CO 0.20 0.00 1.81 -1.13 -0.54 0.00 0.00 174.62 174.96 2ka7 h ASN 26 N -1.20 0.73 -0.02 3.99 -0.73 -1.90 -1.72 115.58 114.72 2ka7 h ASN 26 Ca -0.44 0.05 0.01 0.00 1.87 0.00 0.00 56.30 57.79 2ka7 h ASN 26 Cb 1.28 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.78 2ka7 h ASN 26 CO 0.50 0.40 0.11 -0.74 -0.37 0.00 0.00 177.43 177.33 2ka7 h HIS 27 N 0.83 0.00 0.04 0.67 2.76 -1.94 -2.24 115.15 115.27 2ka7 h HIS 27 Ca 0.43 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.42 2ka7 h HIS 27 Cb 0.42 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2ka7 h HIS 27 CO -0.05 0.00 -0.91 0.00 -1.30 0.00 0.00 177.93 175.67 2ka7 h ALA 28 N 1.80 0.14 0.00 5.26 0.00 -1.59 -3.35 119.26 121.52 2ka7 h ALA 28 Ca 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 2ka7 h ALA 28 Cb 0.24 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ka7 h ALA 28 CO -0.00 0.52 -0.03 -0.56 0.00 0.00 0.00 179.25 179.18 2ka7 h GLN 29 N -0.76 0.00 -0.80 0.00 -0.00 -1.36 -2.13 115.11 110.06 2ka7 h GLN 29 Ca -0.22 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.44 2ka7 h GLN 29 Cb 1.37 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.81 2ka7 h GLN 29 CO -0.05 0.03 0.52 0.93 -0.00 0.00 0.00 178.83 180.26 2ka7 h GLU 30 N 0.00 1.05 0.09 0.06 5.08 -1.55 -2.01 114.58 117.30 2ka7 h GLU 30 Ca -0.00 -0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 2ka7 h GLU 30 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ka7 h GLU 30 CO 0.00 0.70 -1.76 1.96 -1.00 0.00 0.00 179.01 178.91 2ka7 h GLN 31 N 1.08 0.19 0.00 2.33 4.20 -1.54 -3.41 115.11 117.97 2ka7 h GLN 31 Ca 0.29 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ka7 h GLN 31 Cb -0.12 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ka7 h GLN 31 CO -0.06 0.99 0.00 1.28 -0.67 0.00 0.00 178.83 180.37 2ka7 n LEU 32 N -3.36 0.29 0.00 1.46 4.77 -1.19 -5.08 117.00 113.89 2ka7 n LEU 32 Ca -0.23 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2ka7 n LEU 32 Cb 1.05 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2ka7 n LEU 32 CO 0.46 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2ka7 n GLY 33 N 2.00 0.72 1.29 -0.72 0.00 -0.76 -4.90 105.19 102.82 2ka7 n GLY 33 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka7 n ASP 34 N 0.00 2.36 0.00 1.61 8.00 -1.26 -4.83 116.55 122.43 2ka7 n ASP 34 Ca 0.00 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.04 2ka7 n ASP 34 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka7 n VAL 35 N 1.12 0.00 0.00 2.53 0.31 -1.26 -4.59 118.33 116.44 2ka7 n VAL 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ka7 n VAL 35 Cb 0.30 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.00 0.00 -3.68 2.52 3.14 -1.26 -1.76 118.33 117.28 2ka7 n VAL 36 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 2ka7 n VAL 36 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 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 0.00 -0.23 0.00 1.45 5.04 -1.18 -4.79 117.35 117.65 2ka7 s TYR 37 Ca 0.00 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 2ka7 s TYR 37 Cb 0.00 0.48 -0.01 0.00 0.35 0.00 0.00 41.96 42.79 2ka7 s TYR 37 CO 0.00 -0.95 -0.02 0.14 -1.34 0.00 0.00 175.55 173.38 2ka7 s VAL 38 N -3.85 0.11 -0.89 3.14 -7.23 -1.26 -3.96 120.40 106.46 2ka7 s VAL 38 Ca 0.07 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.88 2ka7 s VAL 38 Cb -0.02 -0.14 0.23 0.00 0.56 0.00 0.00 36.38 37.01 2ka7 s VAL 38 CO -0.04 -0.08 0.84 -0.62 -0.31 0.00 0.00 175.10 174.89 2ka7 s ASP 39 N -0.34 6.82 0.30 4.85 2.15 0.33 -4.89 116.67 125.87 2ka7 s ASP 39 Ca -0.03 -2.95 -0.08 0.00 0.43 0.00 0.00 52.55 49.93 2ka7 s ASP 39 Cb -0.03 -2.19 -0.06 0.00 -0.30 0.00 0.00 42.92 40.35 2ka7 s ASP 39 CO -0.00 -0.48 0.61 -0.76 -0.17 0.00 0.00 175.17 174.36 2ka7 s LEU 40 N -0.23 4.04 1.01 -1.34 1.43 -1.26 -2.31 118.68 120.02 2ka7 s LEU 40 Ca 0.21 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.05 2ka7 s LEU 40 Cb -0.10 -3.70 0.20 0.00 0.03 0.00 0.00 46.19 42.61 2ka7 s LEU 40 CO -0.09 -0.20 1.19 -2.16 0.23 0.00 0.00 176.35 175.32 2ka7 s PRO 41 N -3.37 0.29 0.23 1.29 0.04 -1.15 -4.98 135.00 127.35 2ka7 s PRO 41 Ca 0.47 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2ka7 s PRO 41 Cb -0.11 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2ka7 s PRO 41 CO 0.27 -2.71 0.83 -2.00 0.04 0.00 0.00 177.00 173.43 2ka7 s GLU 42 N -5.50 4.54 0.00 4.56 2.12 -1.26 -4.95 118.70 118.21 2ka7 s GLU 42 Ca 0.69 1.18 0.00 0.00 0.36 0.00 0.00 54.97 57.20 2ka7 s GLU 42 Cb -0.10 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2ka7 s GLU 42 CO 0.54 0.45 0.26 1.55 -0.54 0.00 0.00 175.26 177.52 2ka7 n VAL 43 N 1.13 0.00 -1.93 3.70 3.14 -1.26 -2.09 118.33 121.01 2ka7 n VAL 43 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2ka7 n VAL 43 Cb 0.49 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 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 0.24 0.62 3.83 7.55 0.00 -1.06 -3.80 105.19 112.58 2ka7 n GLY 44 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.06 0.23 1.61 3.52 -0.89 -4.80 118.95 122.68 2ka7 s ARG 45 Ca 0.00 0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 55.98 2ka7 s ARG 45 Cb 0.00 -3.07 -0.08 0.00 -1.56 0.00 0.00 34.95 30.23 2ka7 s ARG 45 CO 0.00 0.56 0.74 -2.00 -0.81 0.00 0.00 175.30 173.78 2ka7 s GLU 46 N -1.56 4.26 0.34 5.12 2.12 -1.26 -0.45 118.70 127.27 2ka7 s GLU 46 Ca 0.33 0.88 0.06 0.00 0.36 0.00 0.00 54.97 56.60 2ka7 s GLU 46 Cb -0.17 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 2ka7 s GLU 46 CO 0.19 0.38 0.22 0.14 -0.54 0.00 0.00 175.26 175.65 2ka7 s VAL 47 N -1.54 0.17 0.24 3.70 -7.23 -0.08 -4.96 120.40 110.70 2ka7 s VAL 47 Ca 0.44 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2ka7 s VAL 47 Cb -0.17 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2ka7 s VAL 47 CO 0.21 0.00 0.02 -0.54 -0.31 0.00 0.00 175.10 174.48 2ka7 s LYS 48 N -3.59 1.35 0.00 4.82 1.02 -1.26 -3.16 119.74 118.92 2ka7 s LYS 48 Ca 0.36 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.66 2ka7 s LYS 48 Cb 0.03 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.82 2ka7 s LYS 48 CO 0.22 -0.15 1.11 0.36 -0.92 0.00 0.00 175.35 175.98 2ka7 n LYS 49 N -0.42 0.65 0.00 1.68 2.85 -1.13 -3.47 118.16 118.31 2ka7 n LYS 49 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2ka7 n LYS 49 Cb 0.64 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.85 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 1.40 -1.94 3.11 2.58 0.00 -0.78 -4.78 105.19 104.79 2ka7 n GLY 50 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 46.02 46.81 2ka7 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka7 s GLU 51 N 0.00 0.22 0.00 1.61 -6.30 -1.23 -4.83 118.70 108.17 2ka7 s GLU 51 Ca 0.00 0.86 0.00 0.00 -2.50 0.00 0.00 54.97 53.33 2ka7 s GLU 51 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 34.13 34.24 2ka7 s GLU 51 CO 0.00 -0.27 0.68 1.55 0.02 0.00 0.00 175.26 177.24 2ka7 n VAL 52 N 5.33 0.68 1.02 3.70 3.14 -1.26 -0.21 118.33 130.73 2ka7 n VAL 52 Ca -0.08 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.22 2ka7 n VAL 52 Cb 0.50 -0.94 0.06 0.00 -1.06 0.00 0.00 33.84 32.40 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ka7 n VAL 53 N 1.13 0.00 -2.70 1.55 0.24 -1.22 -3.32 118.33 114.02 2ka7 n VAL 53 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2ka7 n VAL 53 Cb 0.25 -0.31 0.04 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.56 3.22 -0.70 2.33 0.00 -1.24 -2.95 120.51 120.61 2ka7 n ALA 54 Ca 0.02 -3.02 -0.31 0.00 0.00 0.00 0.00 53.44 50.13 2ka7 n ALA 54 Cb 0.01 -0.93 0.18 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 s SER 55 N -3.22 2.64 -0.28 0.00 0.15 -0.98 -4.14 113.70 107.89 2ka7 s SER 55 Ca 0.27 2.06 -0.03 0.00 0.70 0.00 0.00 55.95 58.94 2ka7 s SER 55 Cb 0.43 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 2ka7 s SER 55 CO 0.02 -3.25 0.11 -0.63 1.20 0.00 0.00 173.24 170.69 2ka7 s ILE 56 N -2.63 0.19 0.29 6.45 1.01 -0.16 -0.52 121.20 125.83 2ka7 s ILE 56 Ca 0.67 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 2ka7 s ILE 56 Cb -0.23 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 2ka7 s ILE 56 CO 0.59 -0.63 0.71 -1.61 0.00 0.00 0.00 174.94 173.99 2ka7 s GLU 57 N 1.98 4.02 0.49 2.79 2.02 -1.25 -0.77 118.70 127.97 2ka7 s GLU 57 Ca 0.08 0.65 0.02 0.00 0.02 0.00 0.00 54.97 55.73 2ka7 s GLU 57 Cb -0.16 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2ka7 s GLU 57 CO -0.29 0.22 0.06 -1.54 0.02 0.00 0.00 175.26 173.73 2ka7 s SER 58 N -2.17 3.67 0.45 -0.19 1.04 -0.12 -3.07 113.70 113.31 2ka7 s SER 58 Ca 0.51 -1.72 0.33 0.00 0.48 0.00 0.00 55.95 55.56 2ka7 s SER 58 Cb -0.11 0.65 1.50 0.00 0.10 0.00 0.00 66.02 68.16 2ka7 s SER 58 CO 0.18 -0.95 1.59 -0.37 0.98 0.00 0.00 173.24 174.67 2ka7 h VAL 59 N 1.45 0.05 0.00 5.02 -1.51 -1.67 -3.15 116.25 116.45 2ka7 h VAL 59 Ca -0.40 -0.01 -0.23 0.00 -1.23 0.00 0.00 66.70 64.83 2ka7 h VAL 59 Cb 1.31 0.01 -0.15 0.00 -2.13 0.00 0.00 31.29 30.33 2ka7 h VAL 59 CO 0.65 0.01 -0.40 1.17 -1.23 0.00 0.00 177.57 177.76 2ka7 n LYS 60 N -4.65 0.98 -2.67 5.19 0.00 -1.26 -5.12 118.16 110.64 2ka7 n LYS 60 Ca 0.40 -1.85 -0.06 0.00 0.00 0.00 0.00 58.31 56.80 2ka7 n LYS 60 Cb 1.57 -0.90 0.01 0.00 0.00 0.00 0.00 35.03 35.70 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka7 n ALA 61 N 0.29 -0.79 -2.23 3.14 0.00 -1.19 -5.19 120.51 114.54 2ka7 n ALA 61 Ca 0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2ka7 n ALA 61 Cb 0.71 0.62 -0.10 0.00 0.00 0.00 0.00 19.45 20.68 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 -1.79 1.29 -0.24 0.00 0.00 -1.26 -0.95 121.76 118.81 2ka7 s ALA 62 Ca 0.11 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 2ka7 s ALA 62 Cb -0.02 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.01 2ka7 s ALA 62 CO 0.08 -0.42 0.57 0.00 0.00 0.00 0.00 175.76 175.99 2ka7 s ALA 63 N -3.83 -1.58 -0.29 0.00 0.00 0.05 -4.96 121.76 111.14 2ka7 s ALA 63 Ca 0.29 2.05 -0.21 0.00 0.00 0.00 0.00 51.96 54.09 2ka7 s ALA 63 Cb 0.07 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2ka7 s ALA 63 CO 0.06 -0.48 0.67 0.16 0.00 0.00 0.00 175.76 176.17 2ka7 s ASP 64 N 1.89 6.56 -0.77 0.00 1.47 -1.26 -0.99 116.67 123.57 2ka7 s ASP 64 Ca -0.08 0.56 -0.16 0.00 1.18 0.00 0.00 52.55 54.04 2ka7 s ASP 64 Cb -0.08 -2.35 0.17 0.00 -0.34 0.00 0.00 42.92 40.32 2ka7 s ASP 64 CO -0.17 -0.48 0.81 -0.69 0.68 0.00 0.00 175.17 175.32 2ka7 s VAL 65 N 2.66 5.22 -0.53 2.11 1.01 -1.26 -4.99 120.40 124.62 2ka7 s VAL 65 Ca 0.27 -1.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.08 2ka7 s VAL 65 Cb -0.15 -4.53 0.02 0.00 0.00 0.00 0.00 36.38 31.72 2ka7 s VAL 65 CO 0.11 -1.14 1.32 -0.31 0.00 0.00 0.00 175.10 175.08 2ka7 s TYR 66 N 1.36 2.46 0.69 5.22 2.02 -1.26 -3.44 117.35 124.39 2ka7 s TYR 66 Ca 0.18 0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 57.24 2ka7 s TYR 66 Cb -0.14 -4.42 -0.10 0.00 -0.40 0.00 0.00 41.96 36.90 2ka7 s TYR 66 CO -0.05 -1.79 0.08 0.00 -1.57 0.00 0.00 175.55 172.23 2ka7 n ALA 67 N 8.92 -2.70 0.05 3.71 0.00 0.71 -4.54 120.51 126.66 2ka7 n ALA 67 Ca 0.12 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 2ka7 n ALA 67 Cb 0.49 -1.58 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.32 0.34 -5.15 0.00 0.13 -1.86 -2.07 132.00 123.07 2ka7 h PRO 68 Ca -0.44 -0.58 -0.42 0.00 -0.87 0.00 0.00 66.00 63.69 2ka7 h PRO 68 Cb 1.38 0.22 -0.14 0.00 0.13 0.00 0.00 31.00 32.58 2ka7 h PRO 68 CO 0.39 1.28 -0.63 -0.51 -0.23 0.00 0.00 178.00 178.30 2ka7 s LEU 69 N -7.35 2.12 0.85 1.56 2.01 -1.26 -4.53 118.68 112.08 2ka7 s LEU 69 Ca -0.18 -1.31 -0.12 0.00 0.01 0.00 0.00 54.13 52.53 2ka7 s LEU 69 Cb 0.05 -0.30 0.10 0.00 0.01 0.00 0.00 46.19 46.05 2ka7 s LEU 69 CO 0.82 -0.58 1.14 -0.55 1.01 0.00 0.00 176.35 178.20 2ka7 s SER 70 N -3.40 4.09 0.00 2.29 0.15 -1.26 -2.85 113.70 112.72 2ka7 s SER 70 Ca 0.34 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2ka7 s SER 70 Cb 0.07 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2ka7 s SER 70 CO 0.13 -2.19 0.00 0.61 1.20 0.00 0.00 173.24 172.99 2ka7 n GLY 71 N -2.61 0.89 2.88 9.45 0.00 -1.19 -4.01 105.19 110.60 2ka7 n GLY 71 Ca 0.07 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 2ka7 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka7 s LYS 72 N -1.70 0.72 0.41 1.61 2.20 -0.50 -0.90 119.74 121.58 2ka7 s LYS 72 Ca 0.00 -0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 2ka7 s LYS 72 Cb 0.00 -0.77 -0.09 0.00 -1.51 0.00 0.00 37.83 35.46 2ka7 s LYS 72 CO 0.00 -0.10 1.40 0.42 -0.36 0.00 0.00 175.35 176.72 2ka7 s ILE 73 N 0.95 2.26 0.00 5.43 -1.09 0.40 -0.47 121.20 128.69 2ka7 s ILE 73 Ca -0.11 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2ka7 s ILE 73 Cb -0.14 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2ka7 s ILE 73 CO -0.00 0.04 0.00 1.33 -1.23 0.00 0.00 174.94 175.08 2ka7 n VAL 74 N 0.15 0.00 -3.69 2.92 0.24 -0.60 -2.56 118.33 114.79 2ka7 n VAL 74 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.42 0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 33.65 2ka7 n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ka7 s GLU 75 N 0.00 0.94 0.03 7.34 2.12 -1.12 -4.96 118.70 123.06 2ka7 s GLU 75 Ca 0.00 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 2ka7 s GLU 75 Cb 0.00 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.78 2ka7 s GLU 75 CO 0.00 -0.33 0.06 0.14 -0.54 0.00 0.00 175.26 174.58 2ka7 s VAL 76 N -3.08 0.13 -1.05 3.70 -7.23 -1.26 -0.45 120.40 111.16 2ka7 s VAL 76 Ca -0.01 -1.11 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 2ka7 s VAL 76 Cb 0.01 -0.79 0.17 0.00 0.56 0.00 0.00 36.38 36.32 2ka7 s VAL 76 CO -0.07 -0.61 1.21 0.21 -0.31 0.00 0.00 175.10 175.53 2ka7 s ASN 77 N -2.01 6.89 0.00 4.85 2.47 -0.61 -4.86 114.94 121.67 2ka7 s ASN 77 Ca -0.07 -2.64 0.02 0.00 0.42 0.00 0.00 52.86 50.59 2ka7 s ASN 77 Cb -0.02 -2.36 0.08 0.00 -1.45 0.00 0.00 41.25 37.49 2ka7 s ASN 77 CO -0.04 -0.81 1.04 -0.62 -3.72 0.00 0.00 177.10 172.95 2ka7 n GLU 78 N 5.54 0.00 -0.17 0.43 1.02 -1.26 -1.07 120.64 125.12 2ka7 n GLU 78 Ca 0.28 0.45 -0.02 0.00 -0.02 0.00 0.00 57.16 57.84 2ka7 n GLU 78 Cb 0.45 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.38 0.00 3.49 1.79 -1.94 -2.99 116.57 117.30 2ka7 h LYS 79 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ka7 h LYS 79 Cb 0.03 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2ka7 h LYS 79 CO 0.00 0.25 0.00 1.28 -1.08 0.00 0.00 179.45 179.90 2ka7 n LEU 80 N -4.99 0.48 -0.08 2.94 7.99 -0.23 -0.13 117.00 122.98 2ka7 n LEU 80 Ca 0.06 0.58 0.04 0.00 -0.01 0.00 0.00 56.01 56.67 2ka7 n LEU 80 Cb 0.21 -0.46 0.37 0.00 -0.11 0.00 0.00 43.42 43.43 2ka7 n LEU 80 CO 0.24 -0.27 1.19 -0.78 -1.51 0.00 0.00 177.39 176.26 2ka7 h ASP 81 N 0.00 0.60 0.00 -1.43 3.58 -1.66 -2.86 116.42 114.65 2ka7 h ASP 81 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ka7 h ASP 81 Cb 0.50 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2ka7 h ASP 81 CO 0.00 0.43 -0.82 0.35 -2.88 0.00 0.00 179.24 176.31 2ka7 n THR 82 N -4.46 0.00 -3.27 2.25 -2.24 -0.61 -4.76 114.28 101.19 2ka7 n THR 82 Ca 0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 2ka7 n THR 82 Cb 0.08 0.12 -0.07 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 -1.35 1.57 0.04 -0.78 -0.58 0.81 -4.94 120.64 115.42 2ka7 n GLU 83 Ca 0.00 -3.88 0.05 0.00 -0.42 0.00 0.00 57.16 52.91 2ka7 n GLU 83 Cb 0.10 -1.70 0.25 0.00 -0.57 0.00 0.00 31.44 29.51 2ka7 n GLU 83 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2ka7 n PRO 84 N 1.03 0.05 0.00 3.49 -0.04 -1.08 -1.64 135.00 136.80 2ka7 n PRO 84 Ca 0.25 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 2ka7 n PRO 84 Cb 0.48 -1.61 0.49 0.00 -0.04 0.00 0.00 33.50 32.82 2ka7 n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ka7 n GLU 85 N -1.70 0.40 0.25 0.54 1.02 -1.26 -4.03 120.64 115.85 2ka7 n GLU 85 Ca 0.01 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2ka7 n GLU 85 Cb 0.09 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 30.58 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ka7 h LEU 86 N 0.00 0.00 -1.52 -4.62 3.38 -1.70 -1.27 115.31 109.58 2ka7 h LEU 86 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2ka7 h LEU 86 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ka7 h LEU 86 CO 0.00 0.13 -0.25 0.40 0.09 0.00 0.00 178.44 178.81 2ka7 h ILE 87 N 0.00 1.11 0.16 1.22 2.04 -1.80 -1.66 117.51 118.58 2ka7 h ILE 87 Ca -0.00 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2ka7 h ILE 87 Cb 0.62 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2ka7 h ILE 87 CO 0.02 0.24 -0.08 0.78 0.00 0.00 0.00 178.15 179.11 2ka7 h ASN 88 N 0.00 -0.18 0.27 1.72 2.35 -1.52 -2.08 115.58 116.13 2ka7 h ASN 88 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2ka7 h ASN 88 Cb 0.46 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2ka7 h ASN 88 CO 0.03 0.07 -0.31 0.11 -1.65 0.00 0.00 177.43 175.69 2ka7 h LYS 89 N -0.44 -0.60 -1.63 0.81 1.79 -1.36 -3.39 116.57 111.76 2ka7 h LYS 89 Ca -0.02 0.04 -0.27 0.00 -2.18 0.00 0.00 60.65 58.22 2ka7 h LYS 89 Cb 0.34 0.14 -0.27 0.00 -1.58 0.00 0.00 32.23 30.86 2ka7 h LYS 89 CO 0.04 -0.40 -0.61 0.34 -1.08 0.00 0.00 179.45 177.74 2ka7 s ASP 90 N -4.69 0.25 0.53 0.86 2.15 -0.66 -5.03 116.67 110.09 2ka7 s ASP 90 Ca -0.16 -1.37 0.22 0.00 0.43 0.00 0.00 52.55 51.66 2ka7 s ASP 90 Cb 0.06 1.02 1.37 0.00 -0.30 0.00 0.00 42.92 45.08 2ka7 s ASP 90 CO 0.64 -0.22 2.08 1.55 -0.17 0.00 0.00 175.17 179.05 2ka7 h PRO 91 N 6.96 0.00 -0.09 4.34 0.13 -1.53 0.52 132.00 142.34 2ka7 h PRO 91 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.10 2ka7 h PRO 91 Cb 1.09 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 2ka7 h PRO 91 CO 0.16 0.00 -0.61 0.39 -0.23 0.00 0.00 178.00 177.72 2ka7 n GLU 92 N -4.39 1.61 0.00 0.86 1.02 -1.26 -4.11 120.64 114.38 2ka7 n GLU 92 Ca 0.03 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.92 2ka7 n GLU 92 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 93 N -0.87 -0.10 0.00 0.62 0.00 -1.05 -5.00 105.19 98.79 2ka7 n GLY 93 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 2ka7 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 94 N -1.83 5.24 0.00 1.61 1.02 -1.13 -4.59 120.64 120.96 2ka7 n GLU 94 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2ka7 n GLU 94 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 95 N 1.23 1.67 3.73 0.62 0.00 0.15 -4.89 105.19 107.70 2ka7 n GLY 95 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.11 2.10 -0.01 1.61 1.48 -1.26 -4.30 118.94 118.67 2ka7 s TRP 96 Ca 0.00 1.47 -0.01 0.00 -1.06 0.00 0.00 56.10 56.50 2ka7 s TRP 96 Cb 0.00 -3.71 -0.00 0.00 -1.16 0.00 0.00 33.47 28.60 2ka7 s TRP 96 CO 0.00 -2.93 -0.02 1.28 -4.06 0.00 0.00 176.95 171.22 2ka7 n LEU 97 N -1.81 0.11 0.00 -4.66 4.77 0.15 -4.70 117.00 110.87 2ka7 n LEU 97 Ca 0.15 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2ka7 n LEU 97 Cb 0.48 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2ka7 n LEU 97 CO 0.48 -0.49 -0.07 2.22 -1.33 0.00 0.00 177.39 178.19 2ka7 n PHE 98 N -2.55 -0.12 -4.10 -1.77 -1.74 -1.13 -1.57 117.46 104.49 2ka7 n PHE 98 Ca -0.01 -1.39 -0.12 0.00 -0.56 0.00 0.00 57.45 55.37 2ka7 n PHE 98 Cb 0.03 0.06 -0.11 0.00 1.52 0.00 0.00 39.48 40.97 2ka7 n PHE 98 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2ka7 s LYS 99 N -2.76 0.64 -0.08 3.97 1.02 0.40 -0.39 119.74 122.53 2ka7 s LYS 99 Ca 0.15 -0.96 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 2ka7 s LYS 99 Cb 0.01 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.07 2ka7 s LYS 99 CO 0.10 0.03 0.22 0.00 -0.92 0.00 0.00 175.35 174.78 2ka7 s MET 100 N -2.38 0.25 -0.01 1.68 0.23 -0.95 -1.55 119.30 116.56 2ka7 s MET 100 Ca -0.02 0.32 -0.30 0.00 -1.03 0.00 0.00 55.69 54.66 2ka7 s MET 100 Cb -0.05 0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 33.29 2ka7 s MET 100 CO -0.01 -0.04 1.77 -2.00 -2.03 0.00 0.00 175.02 172.70 2ka7 s GLU 101 N 0.21 4.17 0.57 3.16 2.12 0.38 -0.63 118.70 128.68 2ka7 s GLU 101 Ca -0.01 2.35 -0.17 0.00 0.36 0.00 0.00 54.97 57.50 2ka7 s GLU 101 Cb -0.02 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 2ka7 s GLU 101 CO -0.00 -0.88 1.07 0.96 -0.54 0.00 0.00 175.26 175.87 2ka7 s ILE 102 N 4.10 3.65 -0.10 -3.70 -4.36 -0.73 -1.41 121.20 118.65 2ka7 s ILE 102 Ca 0.79 0.87 0.07 0.00 -0.26 0.00 0.00 60.65 62.12 2ka7 s ILE 102 Cb -0.37 -3.35 -0.12 0.00 1.25 0.00 0.00 42.46 39.87 2ka7 s ILE 102 CO 0.34 -0.38 0.01 -1.20 0.24 0.00 0.00 174.94 173.95 2ka7 n SER 103 N -1.72 2.62 -3.41 4.36 7.64 -1.26 -4.92 113.62 116.94 2ka7 n SER 103 Ca 0.09 -0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.70 2ka7 n SER 103 Cb 0.52 0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 64.19 2ka7 n SER 103 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ka7 n ASP 104 N -2.47 0.49 0.04 6.43 8.00 -1.26 -4.93 116.55 122.85 2ka7 n ASP 104 Ca -0.18 -2.65 0.07 0.00 0.71 0.00 0.00 54.79 52.74 2ka7 n ASP 104 Cb 0.81 -0.61 0.31 0.00 -0.02 0.00 0.00 41.12 41.61 2ka7 n ASP 104 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2ka7 n GLU 105 N 2.17 0.06 0.13 -1.24 0.28 -1.26 -1.52 120.64 119.25 2ka7 n GLU 105 Ca 0.26 0.37 0.13 0.00 -0.16 0.00 0.00 57.16 57.76 2ka7 n GLU 105 Cb 0.47 -1.62 0.45 0.00 1.43 0.00 0.00 31.44 32.17 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 1.73 0.00 1.37 -1.84 0.00 -2.04 -3.03 103.07 99.26 2ka7 h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ka7 h GLY 106 CO 0.00 0.00 -0.51 0.83 0.00 0.00 0.00 176.54 176.86 2ka7 h GLU 107 N 0.00 0.00 -0.62 4.80 4.39 -1.71 -3.37 114.58 118.08 2ka7 h GLU 107 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ka7 h GLU 107 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2ka7 h GLU 107 CO 0.00 0.00 0.36 -0.07 -1.16 0.00 0.00 179.01 178.14 2ka7 h LEU 108 N 0.00 0.76 -2.44 1.33 3.38 -1.66 -2.02 115.31 114.66 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 0.80 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2ka7 h LEU 108 CO 0.00 0.61 -0.02 -0.33 0.09 0.00 0.00 178.44 178.80 2ka7 h GLU 109 N 0.84 0.00 -0.00 1.13 4.39 -1.76 -2.04 114.58 117.13 2ka7 h GLU 109 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2ka7 h GLU 109 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2ka7 h GLU 109 CO -0.04 0.02 -0.10 -3.47 -1.16 0.00 0.00 179.01 174.26 2ka7 n ASP 110 N -3.76 0.47 -2.54 1.42 2.03 -0.76 -4.80 116.55 108.61 2ka7 n ASP 110 Ca -0.03 -0.60 -0.04 0.00 0.52 0.00 0.00 54.79 54.64 2ka7 n ASP 110 Cb 0.10 -0.07 0.02 0.00 -0.72 0.00 0.00 41.12 40.45 2ka7 n ASP 110 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ka7 n LEU 111 N -0.94 0.00 -4.80 -2.67 4.77 -0.77 -5.10 117.00 107.49 2ka7 n LEU 111 Ca 0.15 -0.46 -0.37 0.00 -0.03 0.00 0.00 56.01 55.30 2ka7 n LEU 111 Cb 0.27 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2ka7 n LEU 111 CO 0.23 -0.58 -0.05 -0.76 -1.33 0.00 0.00 177.39 174.91 2ka7 s LEU 112 N 0.00 4.34 1.16 2.23 1.43 -0.91 -4.93 118.68 122.01 2ka7 s LEU 112 Ca 0.13 0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 53.61 2ka7 s LEU 112 Cb -0.01 -2.31 0.28 0.00 0.03 0.00 0.00 46.19 44.19 2ka7 s LEU 112 CO 0.08 0.26 1.20 -0.62 0.23 0.00 0.00 176.35 177.50 2ka7 s ASP 113 N -0.38 1.30 0.06 2.29 -1.08 -1.26 -0.61 116.67 116.98 2ka7 s ASP 113 Ca 0.17 0.37 -0.21 0.00 -0.52 0.00 0.00 52.55 52.36 2ka7 s ASP 113 Cb -0.13 -0.43 -0.13 0.00 -1.46 0.00 0.00 42.92 40.77 2ka7 s ASP 113 CO 0.06 -3.87 1.47 -0.08 0.52 0.00 0.00 175.17 173.27 2ka7 h GLU 114 N -2.41 0.27 -0.11 4.34 4.81 -1.94 0.23 114.58 119.76 2ka7 h GLU 114 Ca -0.43 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 58.47 2ka7 h GLU 114 Cb 1.26 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.63 2ka7 h GLU 114 CO 0.29 0.51 -0.87 0.37 -0.73 0.00 0.00 179.01 178.58 2ka7 h GLN 115 N -0.01 0.77 -0.57 1.92 5.75 -1.98 -0.03 115.11 120.96 2ka7 h GLN 115 Ca 0.04 -0.69 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 2ka7 h GLN 115 Cb 0.40 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2ka7 h GLN 115 CO 0.01 1.28 0.36 0.00 -2.65 0.00 0.00 178.83 177.83 2ka7 h ALA 116 N 0.50 1.56 -0.19 3.38 0.00 -1.92 -0.73 119.26 121.86 2ka7 h ALA 116 Ca -0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2ka7 h ALA 116 Cb 1.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ka7 h ALA 116 CO 0.18 0.40 -0.28 -0.92 0.00 0.00 0.00 179.25 178.62 2ka7 h TYR 117 N 0.78 0.65 -0.61 0.00 3.20 -0.39 -1.39 116.97 119.22 2ka7 h TYR 117 Ca 0.21 -0.22 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2ka7 h TYR 117 Cb -0.06 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.02 2ka7 h TYR 117 CO 0.00 0.93 0.24 0.37 -1.64 0.00 0.00 178.16 178.06 2ka7 h GLN 118 N 0.19 0.42 -0.70 1.82 4.15 -0.55 -0.62 115.11 119.82 2ka7 h GLN 118 Ca 0.02 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2ka7 h GLN 118 Cb 0.86 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2ka7 h GLN 118 CO 0.07 0.28 0.24 1.49 -1.93 0.00 0.00 178.83 178.98 2ka7 h GLU 119 N 0.43 1.05 -0.30 1.69 4.57 -1.14 -1.83 114.58 119.05 2ka7 h GLU 119 Ca 0.30 -0.20 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2ka7 h GLU 119 Cb 0.35 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2ka7 h GLU 119 CO -0.29 0.88 0.20 0.35 -1.18 0.00 0.00 179.01 178.97 2ka7 h PHE 120 N 1.02 0.29 0.00 0.92 3.57 0.01 -0.25 116.94 122.50 2ka7 h PHE 120 Ca 0.23 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2ka7 h PHE 120 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2ka7 h PHE 120 CO 0.02 0.17 -0.51 0.00 -2.23 0.00 0.00 178.31 175.76 2ka7 n ALA 122 N -2.27 2.44 -0.82 0.00 0.00 -0.14 -1.96 120.51 117.76 2ka7 n ALA 122 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.38 2ka7 n ALA 122 Cb 0.68 -1.39 0.27 0.00 0.00 0.00 0.00 19.45 19.00 2ka7 n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ka7 n GLN 123 N -0.97 3.23 0.00 0.00 6.02 -0.98 -5.06 117.38 119.62 2ka7 n GLN 123 Ca 0.18 -2.76 0.03 0.00 -0.01 0.00 0.00 57.00 54.44 2ka7 n GLN 123 Cb 0.08 -1.81 0.03 0.00 1.02 0.00 0.00 30.24 29.56 2ka7 n GLN 123 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44