#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 2.23 0.02 0.03 3.01 -1.06 -3.22 119.74 120.74 2ka7 s LYS 2 Ca 0.00 0.62 -0.21 0.00 -1.01 0.00 0.00 55.97 55.37 2ka7 s LYS 2 Cb 0.00 -4.68 0.05 0.00 -1.01 0.00 0.00 37.83 32.19 2ka7 s LYS 2 CO 0.00 -3.42 0.48 0.00 0.51 0.00 0.00 175.35 172.93 2ka7 s MET 3 N 7.80 0.94 -0.32 1.68 0.23 -0.82 -5.00 119.30 123.81 2ka7 s MET 3 Ca 0.82 -0.17 0.01 0.00 -1.03 0.00 0.00 55.69 55.32 2ka7 s MET 3 Cb -0.13 0.43 0.14 0.00 -1.53 0.00 0.00 34.83 33.74 2ka7 s MET 3 CO 0.15 -0.31 0.31 0.21 -2.03 0.00 0.00 175.02 173.35 2ka7 s LYS 4 N -2.00 0.45 0.62 3.16 2.36 -1.26 -1.12 119.74 121.95 2ka7 s LYS 4 Ca -0.08 -0.50 0.01 0.00 -2.55 0.00 0.00 55.97 52.86 2ka7 s LYS 4 Cb -0.01 -0.74 0.08 0.00 -1.05 0.00 0.00 37.83 36.10 2ka7 s LYS 4 CO 0.01 -1.10 0.87 0.15 1.55 0.00 0.00 175.35 176.83 2ka7 s LYS 5 N 1.93 2.14 0.15 4.03 -0.14 -1.21 -4.81 119.74 121.84 2ka7 s LYS 5 Ca 0.13 -1.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2ka7 s LYS 5 Cb -0.15 -2.44 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 2ka7 s LYS 5 CO -0.20 -1.04 0.02 0.66 -0.76 0.00 0.00 175.35 174.02 2ka7 n TYR 6 N -2.54 0.26 -4.33 3.18 4.02 -0.40 -1.77 117.16 115.59 2ka7 n TYR 6 Ca 0.12 -0.82 -0.21 0.00 -0.01 0.00 0.00 57.90 56.98 2ka7 n TYR 6 Cb 0.60 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 2ka7 n TYR 6 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2ka7 s THR 7 N -1.75 0.08 -2.03 -0.72 -4.23 -0.83 -3.08 115.64 103.09 2ka7 s THR 7 Ca 0.02 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.63 2ka7 s THR 7 Cb 0.00 -2.46 0.26 0.00 1.34 0.00 0.00 72.50 71.64 2ka7 s THR 7 CO 0.02 0.00 1.32 0.29 -0.54 0.00 0.00 174.62 175.71 2ka7 n LYS 8 N -0.69 1.19 -2.13 3.99 5.02 -1.26 -4.20 118.16 120.08 2ka7 n LYS 8 Ca 0.05 -0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 55.84 2ka7 n LYS 8 Cb 0.63 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.48 2ka7 n LYS 8 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ka7 n THR 9 N -0.37 2.39 -3.97 -0.18 -2.24 -1.26 -4.99 114.28 103.67 2ka7 n THR 9 Ca 0.08 -4.15 -0.42 0.00 -2.27 0.00 0.00 64.05 57.29 2ka7 n THR 9 Cb 0.10 -0.92 0.02 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.68 -1.54 -3.70 4.78 1.44 -1.26 -4.83 115.22 109.44 2ka7 n HIS 10 Ca 0.40 0.19 -0.11 0.00 -2.01 0.00 0.00 57.72 56.19 2ka7 n HIS 10 Cb 0.93 -2.98 -0.10 0.00 0.12 0.00 0.00 29.99 27.96 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 -7.02 0.45 0.27 -1.40 2.02 -1.26 -1.73 118.70 110.03 2ka7 s GLU 11 Ca 0.47 0.76 0.09 0.00 0.02 0.00 0.00 54.97 56.31 2ka7 s GLU 11 Cb -0.23 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 2ka7 s GLU 11 CO 0.94 -0.13 0.08 1.67 0.02 0.00 0.00 175.26 177.84 2ka7 s TRP 12 N 1.03 2.82 -0.01 1.61 1.48 0.04 -1.96 118.94 123.96 2ka7 s TRP 12 Ca -0.06 -0.21 0.00 0.00 -1.06 0.00 0.00 56.10 54.77 2ka7 s TRP 12 Cb -0.06 -1.32 0.01 0.00 -1.16 0.00 0.00 33.47 30.94 2ka7 s TRP 12 CO -0.09 0.55 -0.01 0.08 -4.06 0.00 0.00 176.95 173.43 2ka7 s VAL 13 N -2.28 0.11 -0.52 -0.66 1.01 -0.73 -2.63 120.40 114.69 2ka7 s VAL 13 Ca 0.33 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2ka7 s VAL 13 Cb -0.06 -0.14 0.19 0.00 0.00 0.00 0.00 36.38 36.37 2ka7 s VAL 13 CO 0.22 0.07 0.46 -1.20 0.00 0.00 0.00 175.10 174.65 2ka7 n SER 14 N 3.44 1.15 -4.76 3.32 7.64 -0.14 -3.29 113.62 120.98 2ka7 n SER 14 Ca -0.18 -2.80 -0.41 0.00 1.01 0.00 0.00 58.87 56.50 2ka7 n SER 14 Cb 0.56 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 2ka7 n SER 14 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 15 N -0.88 3.22 0.00 0.44 1.09 -0.27 -1.99 121.20 122.80 2ka7 s ILE 15 Ca 0.32 1.20 0.00 0.00 -1.10 0.00 0.00 60.65 61.06 2ka7 s ILE 15 Cb 0.05 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 2ka7 s ILE 15 CO -0.16 0.27 0.00 -1.84 -0.10 0.00 0.00 174.94 173.12 2ka7 n GLU 16 N 1.27 0.00 0.00 2.79 0.28 -0.32 -1.95 120.64 122.71 2ka7 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ka7 n GLU 16 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 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 0.00 0.00 0.00 -1.84 -0.08 -1.26 -2.28 116.55 111.09 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 -0.57 0.97 -4.36 -0.67 5.02 -1.26 -2.85 118.16 114.45 2ka7 n LYS 18 Ca 0.00 -0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 55.20 2ka7 n LYS 18 Cb 0.00 -0.72 -0.12 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.36 2.61 -0.04 -0.18 1.01 -1.26 -0.67 120.40 121.51 2ka7 s VAL 19 Ca 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.42 2ka7 s VAL 19 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2ka7 s VAL 19 CO 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 175.10 175.09 2ka7 s ALA 20 N -1.10 2.77 0.17 5.51 0.00 0.06 -1.18 121.76 127.99 2ka7 s ALA 20 Ca 0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 2ka7 s ALA 20 Cb -0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 2ka7 s ALA 20 CO 0.08 0.57 0.96 0.99 0.00 0.00 0.00 175.76 178.36 2ka7 s THR 21 N -0.79 4.28 -0.13 0.00 2.01 -0.84 -1.35 115.64 118.82 2ka7 s THR 21 Ca 0.13 2.06 -0.06 0.00 0.31 0.00 0.00 61.69 64.13 2ka7 s THR 21 Cb -0.11 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2ka7 s THR 21 CO 0.02 0.39 0.08 -0.69 -0.69 0.00 0.00 174.62 173.73 2ka7 s VAL 22 N -0.53 4.94 0.32 3.82 1.01 -0.28 -0.97 120.40 128.72 2ka7 s VAL 22 Ca 0.44 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2ka7 s VAL 22 Cb -0.25 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.01 2ka7 s VAL 22 CO 0.31 0.56 0.73 -0.83 0.00 0.00 0.00 175.10 175.87 2ka7 s GLY 23 N -0.52 0.15 0.38 4.51 0.00 -1.08 -1.90 107.32 108.87 2ka7 s GLY 23 Ca 0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 44.72 44.19 2ka7 s GLY 23 CO 0.02 -0.22 0.75 -0.26 0.00 0.00 0.00 173.10 173.39 2ka7 s ILE 24 N -3.27 4.79 0.77 0.90 -4.36 -1.26 -0.78 121.20 117.99 2ka7 s ILE 24 Ca 0.14 0.63 -0.09 0.00 -0.26 0.00 0.00 60.65 61.07 2ka7 s ILE 24 Cb -0.05 -3.71 0.09 0.00 1.25 0.00 0.00 42.46 40.04 2ka7 s ILE 24 CO 0.09 -0.45 1.09 0.42 0.24 0.00 0.00 174.94 176.33 2ka7 s THR 25 N -2.29 2.16 0.37 8.37 -4.23 -0.70 -4.52 115.64 114.80 2ka7 s THR 25 Ca 0.51 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2ka7 s THR 25 Cb -0.10 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.07 2ka7 s THR 25 CO 0.29 0.00 1.97 -1.13 -0.54 0.00 0.00 174.62 175.21 2ka7 h ASN 26 N -0.85 0.63 -0.73 3.99 -0.73 -1.91 -1.35 115.58 114.64 2ka7 h ASN 26 Ca -0.44 0.00 0.15 0.00 1.87 0.00 0.00 56.30 57.88 2ka7 h ASN 26 Cb 1.30 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 2ka7 h ASN 26 CO 0.56 0.41 0.49 -0.74 -0.37 0.00 0.00 177.43 177.78 2ka7 h HIS 27 N 0.72 0.43 -0.04 0.67 2.76 -1.93 -1.91 115.15 115.84 2ka7 h HIS 27 Ca 0.30 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.33 2ka7 h HIS 27 Cb 0.24 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.08 2ka7 h HIS 27 CO -0.00 0.17 -0.56 0.00 -1.30 0.00 0.00 177.93 176.24 2ka7 h ALA 28 N 1.65 0.12 0.00 5.26 0.00 -1.52 -3.11 119.26 121.67 2ka7 h ALA 28 Ca 0.36 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ka7 h ALA 28 Cb 0.86 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ka7 h ALA 28 CO -0.10 0.36 -0.09 -0.56 0.00 0.00 0.00 179.25 178.85 2ka7 h GLN 29 N -0.02 0.00 0.00 0.00 -0.00 -1.39 -1.44 115.11 112.26 2ka7 h GLN 29 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2ka7 h GLN 29 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2ka7 h GLN 29 CO 0.11 0.09 -0.03 0.93 -0.00 0.00 0.00 178.83 179.94 2ka7 h GLU 30 N 0.00 0.00 0.00 0.06 5.08 -1.30 -0.91 114.58 117.51 2ka7 h GLU 30 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2ka7 h GLU 30 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 2ka7 h GLU 30 CO 0.01 0.03 -2.31 1.04 -1.00 0.00 0.00 179.01 176.78 2ka7 n GLN 31 N -3.21 0.56 0.18 2.33 6.02 -0.61 -4.64 117.38 118.01 2ka7 n GLN 31 Ca -0.01 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 2ka7 n GLN 31 Cb 0.19 -1.44 0.13 0.00 1.02 0.00 0.00 30.24 30.13 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ka7 h LEU 32 N -0.14 0.00 0.00 1.08 3.38 -1.30 -3.49 115.31 114.84 2ka7 h LEU 32 Ca -0.53 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2ka7 h LEU 32 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2ka7 h LEU 32 CO -0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.02 2ka7 n GLY 33 N 1.13 3.74 1.21 0.83 0.00 -0.35 -4.24 105.19 107.51 2ka7 n GLY 33 Ca 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 6.40 3.94 0.00 1.61 8.00 -1.26 -4.82 116.55 130.42 2ka7 n ASP 34 Ca 0.00 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.32 2ka7 n ASP 34 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 0.86 0.00 0.00 2.53 0.31 -1.26 -4.71 118.33 116.06 2ka7 n VAL 35 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2ka7 n VAL 35 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -3.54 2.52 3.14 -1.26 -2.45 118.33 116.74 2ka7 n VAL 36 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 2ka7 n VAL 36 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 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 -0.28 -0.03 1.45 5.04 -1.25 -4.81 117.35 117.46 2ka7 s TYR 37 Ca 0.00 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 54.79 2ka7 s TYR 37 Cb 0.00 0.52 0.01 0.00 0.35 0.00 0.00 41.96 42.84 2ka7 s TYR 37 CO 0.00 -0.42 0.13 0.08 -1.34 0.00 0.00 175.55 174.01 2ka7 s VAL 38 N -2.68 0.04 -0.11 3.14 1.01 -1.25 -2.71 120.40 117.83 2ka7 s VAL 38 Ca 0.06 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2ka7 s VAL 38 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2ka7 s VAL 38 CO -0.07 -0.16 0.10 -0.62 0.00 0.00 0.00 175.10 174.35 2ka7 s ASP 39 N -0.52 6.04 0.08 3.32 2.15 -0.05 -4.62 116.67 123.06 2ka7 s ASP 39 Ca -0.06 0.36 0.02 0.00 0.43 0.00 0.00 52.55 53.30 2ka7 s ASP 39 Cb -0.04 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 2ka7 s ASP 39 CO 0.01 0.39 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.57 2ka7 s LEU 40 N -0.93 2.41 0.00 -1.34 2.01 -1.26 -3.59 118.68 115.98 2ka7 s LEU 40 Ca 0.14 -0.82 -0.10 0.00 0.01 0.00 0.00 54.13 53.36 2ka7 s LEU 40 Cb -0.12 -0.12 0.18 0.00 0.01 0.00 0.00 46.19 46.15 2ka7 s LEU 40 CO 0.03 -0.36 1.12 -0.81 1.01 0.00 0.00 176.35 177.35 2ka7 n PRO 41 N 0.57 -0.79 -2.69 1.29 -0.04 -1.17 -4.95 135.00 127.21 2ka7 n PRO 41 Ca -0.16 -2.13 -0.30 0.00 -0.04 0.00 0.00 63.50 60.86 2ka7 n PRO 41 Cb 0.58 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.98 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 -5.41 3.76 -0.02 0.54 -6.30 -1.26 -4.93 118.70 105.07 2ka7 s GLU 42 Ca 0.67 0.53 0.02 0.00 -2.50 0.00 0.00 54.97 53.68 2ka7 s GLU 42 Cb -0.02 -2.33 0.10 0.00 0.00 0.00 0.00 34.13 31.87 2ka7 s GLU 42 CO 0.46 -0.13 0.71 1.55 0.02 0.00 0.00 175.26 177.87 2ka7 n VAL 43 N -1.57 0.30 -1.98 3.70 3.14 -1.26 -2.40 118.33 118.26 2ka7 n VAL 43 Ca 0.03 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2ka7 n VAL 43 Cb 0.54 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 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 0.15 0.92 3.74 7.55 0.00 -1.06 -3.76 105.19 112.74 2ka7 n GLY 44 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.54 0.17 1.61 3.52 -1.01 -4.73 118.95 123.05 2ka7 s ARG 45 Ca 0.00 1.81 -0.27 0.00 -0.13 0.00 0.00 55.73 57.14 2ka7 s ARG 45 Cb 0.00 -3.25 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 2ka7 s ARG 45 CO 0.00 0.00 0.83 -1.21 -0.81 0.00 0.00 175.30 174.11 2ka7 s GLU 46 N -0.43 4.64 0.33 5.12 2.02 -1.26 -0.93 118.70 128.19 2ka7 s GLU 46 Ca 0.51 1.25 0.04 0.00 0.02 0.00 0.00 54.97 56.78 2ka7 s GLU 46 Cb -0.31 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2ka7 s GLU 46 CO 0.37 0.51 0.17 0.14 0.02 0.00 0.00 175.26 176.46 2ka7 s VAL 47 N -0.98 0.36 0.41 2.63 -7.23 -0.20 -4.98 120.40 110.41 2ka7 s VAL 47 Ca 0.38 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 2ka7 s VAL 47 Cb -0.24 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 2ka7 s VAL 47 CO 0.28 0.00 0.04 -0.54 -0.31 0.00 0.00 175.10 174.57 2ka7 s LYS 48 N -3.76 2.01 0.00 4.82 -0.14 -1.26 -2.89 119.74 118.52 2ka7 s LYS 48 Ca 0.34 -2.04 0.00 0.00 -1.36 0.00 0.00 55.97 52.91 2ka7 s LYS 48 Cb 0.04 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.47 2ka7 s LYS 48 CO 0.18 -0.05 0.12 1.17 -0.76 0.00 0.00 175.35 176.01 2ka7 n LYS 49 N -1.02 0.15 -2.70 1.68 4.81 -1.22 -3.58 118.16 116.28 2ka7 n LYS 49 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.36 2ka7 n LYS 49 Cb 0.66 -1.03 0.03 0.00 0.02 0.00 0.00 35.03 34.71 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka7 n GLY 50 N -0.02 -1.23 2.88 3.14 0.00 -0.96 -4.60 105.19 104.40 2ka7 n GLY 50 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 46.02 46.78 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 0.83 0.14 -1.22 1.61 -6.30 -1.23 -4.84 118.70 107.68 2ka7 s GLU 51 Ca 0.26 0.52 -0.17 0.00 -2.50 0.00 0.00 54.97 53.08 2ka7 s GLU 51 Cb 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 34.13 33.73 2ka7 s GLU 51 CO -0.10 -0.42 2.07 1.55 0.02 0.00 0.00 175.26 178.39 2ka7 n VAL 52 N 5.33 2.93 0.26 3.70 3.14 -1.26 -0.66 118.33 131.77 2ka7 n VAL 52 Ca -0.05 -2.64 0.12 0.00 -2.96 0.00 0.00 64.34 58.80 2ka7 n VAL 52 Cb 0.50 -2.47 0.25 0.00 -1.06 0.00 0.00 33.84 31.06 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 5.65 0.59 -2.93 1.55 0.24 -1.22 -4.57 118.33 117.64 2ka7 n VAL 53 Ca 0.51 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2ka7 n VAL 53 Cb 0.41 0.78 0.04 0.00 -1.47 0.00 0.00 33.84 33.59 2ka7 n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ka7 n ALA 54 N 1.40 0.47 -0.66 2.33 0.00 -1.24 -3.05 120.51 119.75 2ka7 n ALA 54 Ca 0.20 -2.31 -0.31 0.00 0.00 0.00 0.00 53.44 51.03 2ka7 n ALA 54 Cb 0.58 -1.06 0.18 0.00 0.00 0.00 0.00 19.45 19.14 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka7 n SER 55 N 0.31 0.15 -3.71 0.00 7.64 -1.24 -3.51 113.62 113.27 2ka7 n SER 55 Ca 0.14 0.38 -0.29 0.00 1.01 0.00 0.00 58.87 60.11 2ka7 n SER 55 Cb 0.69 -1.46 -0.16 0.00 -1.01 0.00 0.00 64.21 62.27 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 56 N -2.62 0.58 0.85 0.44 1.01 0.41 -0.87 121.20 121.00 2ka7 s ILE 56 Ca 0.67 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2ka7 s ILE 56 Cb -0.23 -1.24 0.10 0.00 0.01 0.00 0.00 42.46 41.11 2ka7 s ILE 56 CO 0.59 -0.42 1.10 -1.61 0.00 0.00 0.00 174.94 174.61 2ka7 s GLU 57 N 1.81 1.63 0.31 2.79 2.02 -1.10 -0.18 118.70 125.98 2ka7 s GLU 57 Ca 0.03 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.67 2ka7 s GLU 57 Cb -0.17 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 2ka7 s GLU 57 CO -0.17 -1.92 0.28 -1.54 0.02 0.00 0.00 175.26 171.92 2ka7 s SER 58 N -3.81 1.38 0.64 -0.19 1.04 0.51 -3.90 113.70 109.35 2ka7 s SER 58 Ca 0.62 -1.68 0.19 0.00 0.48 0.00 0.00 55.95 55.57 2ka7 s SER 58 Cb -0.15 0.54 1.06 0.00 0.10 0.00 0.00 66.02 67.57 2ka7 s SER 58 CO 0.55 -1.05 1.59 -0.37 0.98 0.00 0.00 173.24 174.93 2ka7 h VAL 59 N 2.21 0.00 0.00 5.02 -1.51 -1.77 -2.93 116.25 117.27 2ka7 h VAL 59 Ca -0.27 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.03 2ka7 h VAL 59 Cb 1.24 0.43 -0.15 0.00 -2.13 0.00 0.00 31.29 30.68 2ka7 h VAL 59 CO 0.39 0.00 -0.27 1.17 -1.23 0.00 0.00 177.57 177.63 2ka7 n LYS 60 N -2.70 1.30 -1.90 5.19 4.81 -1.26 -5.15 118.16 118.46 2ka7 n LYS 60 Ca -0.01 -1.27 -0.03 0.00 -0.87 0.00 0.00 58.31 56.13 2ka7 n LYS 60 Cb 0.57 0.34 -0.00 0.00 0.02 0.00 0.00 35.03 35.96 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka7 n ALA 61 N -1.36 -0.25 -2.26 3.14 0.00 -1.11 -5.18 120.51 113.49 2ka7 n ALA 61 Ca -0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 2ka7 n ALA 61 Cb 0.86 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.55 1.17 -0.02 0.00 0.00 -1.26 -0.37 121.76 119.72 2ka7 s ALA 62 Ca 0.05 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.32 2ka7 s ALA 62 Cb -0.01 1.38 0.02 0.00 0.00 0.00 0.00 23.12 24.52 2ka7 s ALA 62 CO 0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 175.76 175.18 2ka7 s ALA 63 N -4.08 0.30 0.33 0.00 0.00 0.75 -4.93 121.76 114.12 2ka7 s ALA 63 Ca 0.38 0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 2ka7 s ALA 63 Cb 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 2ka7 s ALA 63 CO 0.13 -0.04 1.00 -0.51 0.00 0.00 0.00 175.76 176.34 2ka7 s ASP 64 N 0.79 7.21 -0.28 0.00 1.11 -1.26 -0.45 116.67 123.79 2ka7 s ASP 64 Ca -0.08 1.97 -0.04 0.00 0.18 0.00 0.00 52.55 54.58 2ka7 s ASP 64 Cb -0.11 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.31 2ka7 s ASP 64 CO -0.01 -0.17 0.02 -0.69 1.18 0.00 0.00 175.17 175.50 2ka7 s VAL 65 N -1.51 3.46 -0.44 -1.27 1.01 -1.23 -4.92 120.40 115.50 2ka7 s VAL 65 Ca 0.50 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2ka7 s VAL 65 Cb -0.22 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.40 2ka7 s VAL 65 CO 0.28 0.09 0.33 -0.31 0.00 0.00 0.00 175.10 175.49 2ka7 s TYR 66 N 1.41 3.26 -0.20 5.22 2.02 -1.26 -3.46 117.35 124.33 2ka7 s TYR 66 Ca 0.01 -0.92 -0.38 0.00 -0.37 0.00 0.00 57.07 55.40 2ka7 s TYR 66 Cb -0.17 -2.90 -0.18 0.00 -0.40 0.00 0.00 41.96 38.31 2ka7 s TYR 66 CO -0.00 -0.73 1.16 0.00 -1.57 0.00 0.00 175.55 174.40 2ka7 n ALA 67 N 5.13 -2.32 0.24 3.71 0.00 0.16 -4.50 120.51 122.94 2ka7 n ALA 67 Ca -0.12 0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.94 2ka7 n ALA 67 Cb 0.45 -1.62 0.52 0.00 0.00 0.00 0.00 19.45 18.80 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 3.46 0.00 -4.70 0.00 0.13 -1.82 -2.56 132.00 126.50 2ka7 h PRO 68 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 2ka7 h PRO 68 Cb 1.24 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.15 2ka7 h PRO 68 CO 0.71 0.11 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.33 2ka7 s LEU 69 N -6.46 2.24 0.57 1.56 2.01 -1.26 -4.77 118.68 112.56 2ka7 s LEU 69 Ca 0.01 -0.52 -0.19 0.00 0.01 0.00 0.00 54.13 53.44 2ka7 s LEU 69 Cb 0.09 -0.25 -0.04 0.00 0.01 0.00 0.00 46.19 46.00 2ka7 s LEU 69 CO 0.60 -0.15 1.19 -0.44 1.01 0.00 0.00 176.35 178.56 2ka7 s SER 70 N -1.47 5.38 0.00 2.29 0.01 -1.26 -3.45 113.70 115.20 2ka7 s SER 70 Ca -0.07 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2ka7 s SER 70 Cb -0.09 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2ka7 s SER 70 CO 0.01 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.80 2ka7 n GLY 71 N 0.42 -1.02 3.03 3.44 0.00 -1.14 -3.94 105.19 105.98 2ka7 n GLY 71 Ca 0.13 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.73 1.20 0.49 1.61 2.20 -1.11 -1.03 119.74 121.36 2ka7 s LYS 72 Ca 0.00 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.00 2ka7 s LYS 72 Cb 0.00 -1.08 -0.07 0.00 -1.51 0.00 0.00 37.83 35.17 2ka7 s LYS 72 CO 0.00 0.12 1.42 0.42 -0.36 0.00 0.00 175.35 176.95 2ka7 s ILE 73 N 0.24 2.02 0.00 5.43 -1.09 -0.11 -0.60 121.20 127.09 2ka7 s ILE 73 Ca -0.05 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2ka7 s ILE 73 Cb -0.10 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2ka7 s ILE 73 CO 0.01 0.00 0.00 1.33 -1.23 0.00 0.00 174.94 175.05 2ka7 n VAL 74 N -0.49 0.00 -3.68 2.92 0.24 -0.25 -2.57 118.33 114.51 2ka7 n VAL 74 Ca 0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.43 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 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 0.82 0.26 7.34 2.12 -1.01 -4.91 118.70 123.32 2ka7 s GLU 75 Ca 0.00 -0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.29 2ka7 s GLU 75 Cb 0.00 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 2ka7 s GLU 75 CO 0.00 -0.24 0.04 0.14 -0.54 0.00 0.00 175.26 174.66 2ka7 s VAL 76 N -1.41 0.94 -0.67 3.70 -7.23 -1.26 -0.42 120.40 114.04 2ka7 s VAL 76 Ca -0.12 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.09 2ka7 s VAL 76 Cb -0.03 -2.55 0.22 0.00 0.56 0.00 0.00 36.38 34.58 2ka7 s VAL 76 CO 0.05 -0.15 0.66 -3.20 -0.31 0.00 0.00 175.10 172.15 2ka7 n ASN 77 N -0.50 3.51 0.00 4.85 5.15 0.17 -4.87 115.26 123.56 2ka7 n ASN 77 Ca -0.03 -3.36 0.01 0.00 -0.60 0.00 0.00 54.58 50.60 2ka7 n ASN 77 Cb 0.65 -0.71 0.03 0.00 -0.53 0.00 0.00 39.78 39.23 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 1.28 0.03 -0.25 1.20 1.02 -1.26 -1.21 120.64 121.45 2ka7 n GLU 78 Ca 0.26 0.05 0.01 0.00 -0.02 0.00 0.00 57.16 57.46 2ka7 n GLU 78 Cb 0.39 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.62 0.00 3.49 1.79 -1.95 -2.60 116.57 117.92 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 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2ka7 h LYS 79 CO 0.00 0.41 0.00 1.28 -1.08 0.00 0.00 179.45 180.06 2ka7 n LEU 80 N -4.84 0.00 0.25 2.94 4.77 -0.35 -0.14 117.00 119.62 2ka7 n LEU 80 Ca 0.11 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 2ka7 n LEU 80 Cb 0.27 -0.49 0.61 0.00 -2.33 0.00 0.00 43.42 41.48 2ka7 n LEU 80 CO 0.25 -0.29 0.90 -0.78 -1.33 0.00 0.00 177.39 176.15 2ka7 h ASP 81 N 0.00 0.00 0.00 -1.43 3.58 -1.66 -2.64 116.42 114.27 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 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2ka7 h ASP 81 CO 0.00 0.17 -0.50 0.35 -2.88 0.00 0.00 179.24 176.37 2ka7 n THR 82 N -3.51 0.00 -2.96 2.25 -2.24 -0.39 -4.73 114.28 102.71 2ka7 n THR 82 Ca -0.01 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.49 2ka7 n THR 82 Cb 0.32 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.79 3.02 0.27 -0.78 -0.58 0.80 -4.86 120.64 117.71 2ka7 n GLU 83 Ca 0.00 -4.71 0.17 0.00 -0.42 0.00 0.00 57.16 52.20 2ka7 n GLU 83 Cb 0.00 -2.19 0.76 0.00 -0.57 0.00 0.00 31.44 29.45 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 2.98 0.00 0.00 3.49 0.13 -1.66 -2.29 132.00 134.65 2ka7 h PRO 84 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ka7 h PRO 84 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2ka7 h PRO 84 CO 0.79 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.65 2ka7 n GLU 85 N -2.94 0.08 0.23 0.86 2.13 -1.26 -3.69 120.64 116.05 2ka7 n GLU 85 Ca 0.00 0.14 0.07 0.00 0.66 0.00 0.00 57.16 58.03 2ka7 n GLU 85 Cb 0.24 -1.61 0.55 0.00 0.27 0.00 0.00 31.44 30.89 2ka7 n GLU 85 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2ka7 h LEU 86 N 0.00 0.00 -1.96 4.31 7.12 -1.81 -2.69 115.31 120.28 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 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 2ka7 h LEU 86 CO 0.00 0.21 0.00 0.40 -0.13 0.00 0.00 178.44 178.92 2ka7 h ILE 87 N 0.00 0.00 0.46 4.05 2.04 -1.78 0.25 117.51 122.54 2ka7 h ILE 87 Ca -0.00 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2ka7 h ILE 87 Cb 0.43 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2ka7 h ILE 87 CO 0.03 0.00 -0.22 0.78 0.00 0.00 0.00 178.15 178.74 2ka7 h ASN 88 N 0.00 -0.52 0.34 1.72 2.35 -1.74 -2.99 115.58 114.73 2ka7 h ASN 88 Ca 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2ka7 h ASN 88 Cb 0.34 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2ka7 h ASN 88 CO 0.00 -0.20 -0.16 0.50 -1.65 0.00 0.00 177.43 175.92 2ka7 h LYS 89 N -0.87 -0.43 -1.75 0.81 3.11 -1.09 -3.39 116.57 112.95 2ka7 h LYS 89 Ca -0.06 0.03 -0.34 0.00 -2.81 0.00 0.00 60.65 57.46 2ka7 h LYS 89 Cb 0.57 0.10 -0.28 0.00 -1.00 0.00 0.00 32.23 31.62 2ka7 h LYS 89 CO 0.10 -0.20 -0.69 -0.51 -2.81 0.00 0.00 179.45 175.35 2ka7 s ASP 90 N -4.91 0.42 0.64 4.20 1.01 -0.22 -5.01 116.67 112.79 2ka7 s ASP 90 Ca -0.15 -1.88 0.38 0.00 0.71 0.00 0.00 52.55 51.61 2ka7 s ASP 90 Cb 0.03 0.75 2.13 0.00 1.01 0.00 0.00 42.92 46.85 2ka7 s ASP 90 CO 0.60 -0.19 2.28 -0.65 0.21 0.00 0.00 175.17 177.43 2ka7 h PRO 91 N 6.30 0.00 0.00 8.23 0.11 -1.67 0.18 132.00 145.15 2ka7 h PRO 91 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2ka7 h PRO 91 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ka7 h PRO 91 CO 0.19 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.13 2ka7 n GLU 92 N -3.35 1.64 0.00 1.05 0.28 -1.26 -3.94 120.64 115.06 2ka7 n GLU 92 Ca -0.02 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.93 2ka7 n GLU 92 Cb 0.12 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.18 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ka7 n GLY 93 N -0.28 0.11 0.08 -1.84 0.00 -1.14 -4.97 105.19 97.14 2ka7 n GLY 93 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.09 0.64 -0.62 1.61 -0.58 -1.04 -4.38 120.64 115.18 2ka7 n GLU 94 Ca 0.00 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.72 2ka7 n GLU 94 Cb 0.00 -1.71 0.07 0.00 -0.57 0.00 0.00 31.44 29.24 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ka7 n GLY 95 N 1.43 3.32 3.77 0.62 0.00 0.03 -4.92 105.19 109.43 2ka7 n GLY 95 Ca -0.12 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.56 2.61 -0.15 1.61 1.48 -1.25 -4.62 118.94 117.06 2ka7 s TRP 96 Ca 0.27 1.55 -0.05 0.00 -1.06 0.00 0.00 56.10 56.81 2ka7 s TRP 96 Cb 0.22 -3.05 -0.08 0.00 -1.16 0.00 0.00 33.47 29.40 2ka7 s TRP 96 CO 0.04 -1.75 -0.18 1.28 -4.06 0.00 0.00 176.95 172.28 2ka7 n LEU 97 N -3.37 1.72 -3.95 -4.66 4.77 -0.80 -4.73 117.00 105.98 2ka7 n LEU 97 Ca 0.09 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2ka7 n LEU 97 Cb 0.53 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2ka7 n LEU 97 CO 0.53 0.46 0.28 0.72 -1.33 0.00 0.00 177.39 178.05 2ka7 s PHE 98 N -2.29 0.24 0.09 -1.77 -0.71 -1.20 -0.66 117.98 111.68 2ka7 s PHE 98 Ca -0.21 -0.64 0.05 0.00 -1.04 0.00 0.00 56.93 55.09 2ka7 s PHE 98 Cb 0.07 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2ka7 s PHE 98 CO 0.29 -1.11 -0.12 0.15 -1.34 0.00 0.00 175.22 173.09 2ka7 s LYS 99 N -3.83 0.84 -0.06 1.99 1.02 0.44 -1.12 119.74 119.02 2ka7 s LYS 99 Ca 0.19 -1.05 -0.22 0.00 0.02 0.00 0.00 55.97 54.91 2ka7 s LYS 99 Cb -0.02 -0.71 0.05 0.00 -0.52 0.00 0.00 37.83 36.63 2ka7 s LYS 99 CO 0.09 0.14 0.50 0.00 -0.92 0.00 0.00 175.35 175.16 2ka7 s MET 100 N -2.22 0.82 0.21 1.68 0.23 -0.46 -1.09 119.30 118.49 2ka7 s MET 100 Ca 0.02 0.15 -0.30 0.00 -1.03 0.00 0.00 55.69 54.53 2ka7 s MET 100 Cb -0.07 0.38 -0.10 0.00 -1.53 0.00 0.00 34.83 33.52 2ka7 s MET 100 CO 0.02 -0.23 1.46 -2.00 -2.03 0.00 0.00 175.02 172.24 2ka7 s GLU 101 N -1.00 4.27 -0.64 3.16 2.12 0.23 -0.76 118.70 126.07 2ka7 s GLU 101 Ca -0.10 2.28 -0.28 0.00 0.36 0.00 0.00 54.97 57.23 2ka7 s GLU 101 Cb -0.03 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.25 2ka7 s GLU 101 CO 0.06 -0.46 1.28 0.96 -0.54 0.00 0.00 175.26 176.56 2ka7 s ILE 102 N 0.37 3.85 -0.33 -3.70 -4.36 0.16 -2.74 121.20 114.45 2ka7 s ILE 102 Ca 0.62 0.66 0.27 0.00 -0.26 0.00 0.00 60.65 61.94 2ka7 s ILE 102 Cb -0.42 -4.74 0.32 0.00 1.25 0.00 0.00 42.46 38.87 2ka7 s ILE 102 CO 0.39 -1.51 1.80 0.28 0.24 0.00 0.00 174.94 176.13 2ka7 h SER 103 N 10.08 0.00 -2.04 4.36 0.02 -1.87 -3.41 113.55 120.69 2ka7 h SER 103 Ca -0.26 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.19 2ka7 h SER 103 Cb 1.06 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.27 2ka7 h SER 103 CO 1.22 0.00 -0.89 0.47 -1.14 0.00 0.00 176.83 176.50 2ka7 n ASP 104 N -2.68 -1.07 0.01 3.07 9.92 -1.26 -5.00 116.55 119.55 2ka7 n ASP 104 Ca 0.03 -2.51 0.07 0.00 -0.53 0.00 0.00 54.79 51.84 2ka7 n ASP 104 Cb 0.35 -0.07 0.29 0.00 -0.64 0.00 0.00 41.12 41.04 2ka7 n ASP 104 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2ka7 n GLU 105 N 2.76 0.02 0.00 -1.24 0.28 -1.26 -1.75 120.64 119.45 2ka7 n GLU 105 Ca 0.27 0.30 0.15 0.00 -0.16 0.00 0.00 57.16 57.72 2ka7 n GLU 105 Cb 0.50 -1.54 0.71 0.00 1.43 0.00 0.00 31.44 32.54 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ka7 n GLY 106 N -0.21 -1.12 0.12 -1.84 0.00 -1.26 -3.79 105.19 97.09 2ka7 n GLY 106 Ca 0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2ka7 n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 107 N 0.24 0.34 -0.41 1.61 5.08 -1.78 -3.39 114.58 116.26 2ka7 h GLU 107 Ca 0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 2ka7 h GLU 107 Cb 0.29 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2ka7 h GLU 107 CO 0.00 1.25 0.04 1.37 -1.00 0.00 0.00 179.01 180.67 2ka7 h LEU 108 N 0.09 0.60 -2.59 1.33 -0.00 -1.75 -1.96 115.31 111.02 2ka7 h LEU 108 Ca -0.20 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2ka7 h LEU 108 Cb 2.04 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 42.54 2ka7 h LEU 108 CO 0.21 0.64 -0.00 -0.33 -0.00 0.00 0.00 178.44 178.95 2ka7 h GLU 109 N 0.61 0.00 0.00 0.17 4.39 -1.79 -1.35 114.58 116.62 2ka7 h GLU 109 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2ka7 h GLU 109 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2ka7 h GLU 109 CO 0.01 0.00 -0.40 -3.47 -1.16 0.00 0.00 179.01 173.99 2ka7 n ASP 110 N -3.13 0.44 -3.62 1.42 2.03 -0.74 -4.84 116.55 108.10 2ka7 n ASP 110 Ca -0.02 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.02 2ka7 n ASP 110 Cb 0.13 0.04 0.21 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.63 0.00 -4.74 -2.67 4.77 -0.51 -5.03 117.00 107.20 2ka7 n LEU 111 Ca 0.05 -1.22 -0.39 0.00 -0.03 0.00 0.00 56.01 54.42 2ka7 n LEU 111 Cb 0.36 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 2ka7 n LEU 111 CO 0.33 -1.72 0.32 -0.76 -1.33 0.00 0.00 177.39 174.23 2ka7 s LEU 112 N 0.00 4.35 1.22 2.23 1.43 -1.18 -4.94 118.68 121.80 2ka7 s LEU 112 Ca 0.68 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.75 2ka7 s LEU 112 Cb -0.04 -2.96 0.30 0.00 0.03 0.00 0.00 46.19 43.53 2ka7 s LEU 112 CO 0.50 -0.01 1.01 -1.81 0.23 0.00 0.00 176.35 176.27 2ka7 s ASP 113 N 0.38 0.53 0.00 2.29 1.01 -1.26 -1.28 116.67 118.34 2ka7 s ASP 113 Ca 0.33 1.32 -0.25 0.00 0.71 0.00 0.00 52.55 54.66 2ka7 s ASP 113 Cb -0.17 -2.03 -0.18 0.00 1.01 0.00 0.00 42.92 41.54 2ka7 s ASP 113 CO 0.16 -4.45 1.30 -0.08 0.21 0.00 0.00 175.17 172.32 2ka7 h GLU 114 N -2.79 -0.12 -0.38 8.23 4.81 -1.97 0.18 114.58 122.54 2ka7 h GLU 114 Ca -0.59 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2ka7 h GLU 114 Cb 1.34 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 2ka7 h GLU 114 CO 0.47 0.25 0.13 0.37 -0.73 0.00 0.00 179.01 179.50 2ka7 h GLN 115 N -0.52 0.28 0.00 1.92 4.15 -1.99 0.40 115.11 119.36 2ka7 h GLN 115 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2ka7 h GLN 115 Cb 0.43 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2ka7 h GLN 115 CO 0.02 0.19 -0.11 0.00 -1.93 0.00 0.00 178.83 177.00 2ka7 h ALA 116 N 1.24 1.27 0.16 3.38 0.00 -1.88 0.54 119.26 123.97 2ka7 h ALA 116 Ca 0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2ka7 h ALA 116 Cb 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ka7 h ALA 116 CO -0.18 0.14 -0.97 -0.92 0.00 0.00 0.00 179.25 177.32 2ka7 h TYR 117 N 0.00 0.67 -0.35 0.00 3.20 0.07 -2.91 116.97 117.65 2ka7 h TYR 117 Ca -0.00 -0.48 0.05 0.00 3.14 0.00 0.00 58.73 61.44 2ka7 h TYR 117 Cb 0.33 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 2ka7 h TYR 117 CO 0.00 1.37 0.07 0.37 -1.64 0.00 0.00 178.16 178.32 2ka7 h GLN 118 N -0.22 0.18 -0.74 1.82 4.15 -0.35 -0.87 115.11 119.08 2ka7 h GLN 118 Ca -0.17 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.40 2ka7 h GLN 118 Cb 1.76 -0.04 -0.14 0.00 0.21 0.00 0.00 27.48 29.27 2ka7 h GLN 118 CO 0.18 0.12 -0.11 0.93 -1.93 0.00 0.00 178.83 178.02 2ka7 h GLU 119 N 0.18 0.03 0.00 1.69 4.39 -1.03 -0.60 114.58 119.24 2ka7 h GLU 119 Ca 0.17 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2ka7 h GLU 119 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2ka7 h GLU 119 CO -0.22 0.02 -0.21 0.35 -1.16 0.00 0.00 179.01 177.79 2ka7 h PHE 120 N 0.03 0.00 -0.01 4.33 3.57 -1.00 -2.16 116.94 121.71 2ka7 h PHE 120 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2ka7 h PHE 120 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2ka7 h PHE 120 CO -0.52 0.21 -0.12 0.00 -2.23 0.00 0.00 178.31 175.64 2ka7 n ALA 122 N -0.59 2.37 -0.91 0.00 0.00 -0.77 -4.42 120.51 116.19 2ka7 n ALA 122 Ca 0.16 -0.74 0.08 0.00 0.00 0.00 0.00 53.44 52.94 2ka7 n ALA 122 Cb 0.31 -0.31 0.14 0.00 0.00 0.00 0.00 19.45 19.58 2ka7 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka7 n GLN 123 N 0.43 1.72 0.00 0.00 10.64 -1.16 -5.06 117.38 123.95 2ka7 n GLN 123 Ca 0.06 -2.46 0.01 0.00 -1.83 0.00 0.00 57.00 52.78 2ka7 n GLN 123 Cb 0.27 -1.47 0.01 0.00 -0.86 0.00 0.00 30.24 28.19 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32