#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 n LYS 2 N 0.00 0.00 -3.46 0.03 5.02 -1.25 -4.76 118.16 113.73 2ka7 n LYS 2 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2ka7 n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2ka7 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka7 s MET 3 N -0.49 1.10 -0.29 1.97 0.23 -0.04 -5.01 119.30 116.77 2ka7 s MET 3 Ca 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 55.69 54.22 2ka7 s MET 3 Cb 0.00 0.51 0.11 0.00 -1.53 0.00 0.00 34.83 33.91 2ka7 s MET 3 CO 0.00 -0.46 0.67 0.21 -2.03 0.00 0.00 175.02 173.41 2ka7 s LYS 4 N -3.14 0.64 0.34 3.16 2.20 -1.26 -0.61 119.74 121.07 2ka7 s LYS 4 Ca 0.00 1.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.98 2ka7 s LYS 4 Cb -0.01 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 2ka7 s LYS 4 CO -0.08 -0.17 0.09 1.63 -0.36 0.00 0.00 175.35 176.45 2ka7 n LYS 5 N 4.88 0.75 -4.43 4.03 4.76 -1.26 -4.75 118.16 122.13 2ka7 n LYS 5 Ca -0.16 -2.74 -0.24 0.00 -2.87 0.00 0.00 58.31 52.30 2ka7 n LYS 5 Cb 0.54 1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 34.96 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 -2.67 1.78 0.26 2.13 1.51 -0.09 -0.96 117.35 119.32 2ka7 s TYR 6 Ca 0.12 -1.48 0.02 0.00 -1.01 0.00 0.00 57.07 54.72 2ka7 s TYR 6 Cb 0.01 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2ka7 s TYR 6 CO 0.09 -0.57 0.17 0.95 -1.11 0.00 0.00 175.55 175.07 2ka7 s THR 7 N -3.27 0.13 -1.78 -0.71 -4.23 -0.44 -3.30 115.64 102.05 2ka7 s THR 7 Ca 0.30 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.11 2ka7 s THR 7 Cb 0.02 -2.51 0.65 0.00 1.34 0.00 0.00 72.50 71.99 2ka7 s THR 7 CO 0.20 0.00 2.04 0.29 -0.54 0.00 0.00 174.62 176.62 2ka7 n LYS 8 N -0.45 0.81 -1.89 3.99 5.02 -1.26 -3.01 118.16 121.37 2ka7 n LYS 8 Ca 0.03 -0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.80 2ka7 n LYS 8 Cb 0.65 -1.50 0.04 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 -0.98 3.48 -3.93 -0.18 5.66 -1.26 -4.94 114.28 112.14 2ka7 n THR 9 Ca 0.18 -4.16 -0.35 0.00 -3.05 0.00 0.00 64.05 56.67 2ka7 n THR 9 Cb 0.21 -1.23 0.01 0.00 -1.55 0.00 0.00 70.33 67.77 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 -0.59 -1.62 -4.16 1.09 1.44 -1.16 -4.80 115.22 105.42 2ka7 n HIS 10 Ca 0.54 0.40 -0.16 0.00 -2.01 0.00 0.00 57.72 56.49 2ka7 n HIS 10 Cb 0.34 -3.22 -0.11 0.00 0.12 0.00 0.00 29.99 27.12 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 -6.71 0.79 0.26 -1.40 2.12 -1.23 -1.33 118.70 111.21 2ka7 s GLU 11 Ca 0.34 -1.03 0.08 0.00 0.36 0.00 0.00 54.97 54.72 2ka7 s GLU 11 Cb -0.15 -0.60 -0.05 0.00 0.26 0.00 0.00 34.13 33.58 2ka7 s GLU 11 CO 0.92 0.11 -0.11 1.67 -0.54 0.00 0.00 175.26 177.31 2ka7 s TRP 12 N -1.88 1.98 0.26 5.30 1.48 -0.28 -1.32 118.94 124.48 2ka7 s TRP 12 Ca 0.01 -0.58 0.09 0.00 -1.06 0.00 0.00 56.10 54.56 2ka7 s TRP 12 Cb -0.06 -1.02 -0.05 0.00 -1.16 0.00 0.00 33.47 31.17 2ka7 s TRP 12 CO 0.01 0.41 -0.13 0.08 -4.06 0.00 0.00 176.95 173.25 2ka7 s VAL 13 N -2.88 1.98 -0.34 -0.66 1.01 -0.13 -3.18 120.40 116.20 2ka7 s VAL 13 Ca 0.28 -2.24 0.04 0.00 0.00 0.00 0.00 61.98 60.05 2ka7 s VAL 13 Cb 0.01 -2.28 0.16 0.00 0.00 0.00 0.00 36.38 34.27 2ka7 s VAL 13 CO 0.11 -0.43 0.45 -0.44 0.00 0.00 0.00 175.10 174.80 2ka7 s SER 14 N -3.43 0.16 -0.70 3.32 0.01 -0.33 -4.19 113.70 108.54 2ka7 s SER 14 Ca 0.27 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 2ka7 s SER 14 Cb -0.00 1.14 0.16 0.00 0.21 0.00 0.00 66.02 67.53 2ka7 s SER 14 CO 0.11 -0.28 0.69 -0.63 0.41 0.00 0.00 173.24 173.54 2ka7 s ILE 15 N 2.02 5.30 -0.12 1.44 1.01 0.22 -1.06 121.20 130.02 2ka7 s ILE 15 Ca 0.13 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.65 2ka7 s ILE 15 Cb -0.11 -4.45 -0.25 0.00 0.01 0.00 0.00 42.46 37.66 2ka7 s ILE 15 CO -0.16 -1.02 0.86 1.05 0.00 0.00 0.00 174.94 175.68 2ka7 h GLU 16 N 8.45 0.01 0.00 2.79 4.11 -1.80 -0.06 114.58 128.08 2ka7 h GLU 16 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2ka7 h GLU 16 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2ka7 h GLU 16 CO 0.93 0.91 0.00 -0.25 0.07 0.00 0.00 179.01 180.67 2ka7 n ASP 17 N -4.65 0.00 -0.01 3.06 9.92 -1.26 -3.96 116.55 119.65 2ka7 n ASP 17 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 2ka7 n ASP 17 Cb 0.44 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.25 0.16 -3.68 -1.24 5.02 -1.26 -4.99 118.16 109.92 2ka7 n LYS 18 Ca 0.00 -0.57 -0.18 0.00 -2.02 0.00 0.00 58.31 55.54 2ka7 n LYS 18 Cb 0.00 -0.53 -0.17 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.06 -0.16 -0.25 -0.18 1.01 -1.26 -1.79 120.40 117.72 2ka7 s VAL 19 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2ka7 s VAL 19 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.19 2ka7 s VAL 19 CO 0.00 0.16 1.05 0.00 0.00 0.00 0.00 175.10 176.30 2ka7 s ALA 20 N 2.09 3.65 0.26 5.51 0.00 -0.15 -3.54 121.76 129.60 2ka7 s ALA 20 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 2ka7 s ALA 20 Cb -0.12 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 2ka7 s ALA 20 CO -0.04 -1.13 1.32 0.99 0.00 0.00 0.00 175.76 176.89 2ka7 s THR 21 N 3.28 2.94 0.02 0.00 2.01 -0.22 -1.05 115.64 122.62 2ka7 s THR 21 Ca 0.44 0.85 0.08 0.00 0.31 0.00 0.00 61.69 63.37 2ka7 s THR 21 Cb -0.14 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2ka7 s THR 21 CO 0.08 0.16 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.25 2ka7 s VAL 22 N -0.48 1.86 0.35 3.82 1.01 -0.26 -1.18 120.40 125.52 2ka7 s VAL 22 Ca 0.53 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2ka7 s VAL 22 Cb -0.38 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.46 2ka7 s VAL 22 CO 0.45 0.38 0.71 -0.83 0.00 0.00 0.00 175.10 175.81 2ka7 s GLY 23 N -0.93 0.47 0.23 4.51 0.00 -1.19 -1.10 107.32 109.31 2ka7 s GLY 23 Ca 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2ka7 s GLY 23 CO 0.01 -0.39 0.41 -0.26 0.00 0.00 0.00 173.10 172.86 2ka7 s ILE 24 N -2.80 5.20 0.88 0.90 -4.36 -1.26 -1.12 121.20 118.64 2ka7 s ILE 24 Ca 0.17 -0.52 -0.12 0.00 -0.26 0.00 0.00 60.65 59.93 2ka7 s ILE 24 Cb -0.04 -3.78 0.12 0.00 1.25 0.00 0.00 42.46 40.00 2ka7 s ILE 24 CO 0.12 -0.27 1.14 0.42 0.24 0.00 0.00 174.94 176.59 2ka7 s THR 25 N -1.96 2.09 0.17 8.37 -4.23 -0.44 -4.33 115.64 115.31 2ka7 s THR 25 Ca 0.38 0.03 0.24 0.00 -1.18 0.00 0.00 61.69 61.15 2ka7 s THR 25 Cb -0.10 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.12 2ka7 s THR 25 CO 0.30 -0.04 1.84 -1.13 -0.54 0.00 0.00 174.62 175.06 2ka7 h ASN 26 N -1.36 0.00 0.19 3.99 -0.00 -1.91 -1.55 115.58 114.95 2ka7 h ASN 26 Ca -0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 55.76 2ka7 h ASN 26 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.64 2ka7 h ASN 26 CO 0.63 0.23 -0.22 -0.74 -0.00 0.00 0.00 177.43 177.33 2ka7 h HIS 27 N 0.00 0.05 -0.10 0.67 2.76 -1.94 -3.16 115.15 113.43 2ka7 h HIS 27 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2ka7 h HIS 27 Cb 0.72 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2ka7 h HIS 27 CO 0.00 0.26 -0.05 0.00 -1.30 0.00 0.00 177.93 176.85 2ka7 h ALA 28 N 1.74 0.14 0.00 5.26 0.00 -1.57 -2.83 119.26 122.00 2ka7 h ALA 28 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ka7 h ALA 28 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ka7 h ALA 28 CO 0.03 -0.10 0.00 -0.56 0.00 0.00 0.00 179.25 178.62 2ka7 h GLN 29 N -0.16 0.00 0.00 0.00 -0.00 -1.57 -1.54 115.11 111.84 2ka7 h GLN 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2ka7 h GLN 29 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 2ka7 h GLN 29 CO 0.01 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.23 2ka7 n GLU 30 N -3.06 0.47 -0.03 0.06 -0.58 -1.07 -0.75 120.64 115.69 2ka7 n GLU 30 Ca -0.02 0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2ka7 n GLU 30 Cb 0.14 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 2ka7 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ka7 n GLN 31 N -1.03 2.87 -0.04 3.49 10.64 -0.59 -4.83 117.38 127.89 2ka7 n GLN 31 Ca 0.12 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.14 2ka7 n GLN 31 Cb 0.06 -1.13 -0.09 0.00 -0.86 0.00 0.00 30.24 28.22 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2ka7 h LEU 32 N 0.00 0.34 0.00 2.61 3.38 -1.34 -3.44 115.31 116.87 2ka7 h LEU 32 Ca -0.14 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2ka7 h LEU 32 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ka7 h LEU 32 CO 0.00 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2ka7 n GLY 33 N 0.57 1.62 3.48 0.83 0.00 0.07 -4.41 105.19 107.35 2ka7 n GLY 33 Ca -0.08 -0.53 -0.54 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.84 2.02 -4.81 1.61 9.92 -1.26 -4.82 116.55 117.36 2ka7 n ASP 34 Ca 0.00 0.61 -0.22 0.00 -0.53 0.00 0.00 54.79 54.65 2ka7 n ASP 34 Cb 0.00 -1.18 -0.05 0.00 -0.64 0.00 0.00 41.12 39.25 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ka7 s VAL 35 N 6.20 3.24 0.00 2.53 0.11 -1.26 -1.81 120.40 129.41 2ka7 s VAL 35 Ca 1.08 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 2ka7 s VAL 35 Cb -1.00 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 2ka7 s VAL 35 CO 0.55 -0.15 0.00 1.33 -3.33 0.00 0.00 175.10 173.50 2ka7 n VAL 36 N -1.31 0.00 -3.81 2.04 0.24 -1.26 -4.06 118.33 110.17 2ka7 n VAL 36 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 2ka7 n VAL 36 Cb 0.61 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2ka7 s TYR 37 N -0.81 -0.17 -0.04 6.34 5.04 -1.03 -4.95 117.35 121.73 2ka7 s TYR 37 Ca 0.00 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.01 2ka7 s TYR 37 Cb 0.00 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.39 2ka7 s TYR 37 CO 0.00 -0.19 0.02 0.08 -1.34 0.00 0.00 175.55 174.12 2ka7 s VAL 38 N -0.41 0.07 0.27 3.14 1.01 -1.26 -2.23 120.40 120.99 2ka7 s VAL 38 Ca -0.05 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2ka7 s VAL 38 Cb -0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 2ka7 s VAL 38 CO 0.01 0.16 1.08 -0.62 0.00 0.00 0.00 175.10 175.73 2ka7 s ASP 39 N 1.47 7.31 -0.01 3.32 2.15 0.51 -4.84 116.67 126.58 2ka7 s ASP 39 Ca -0.04 2.23 0.03 0.00 0.43 0.00 0.00 52.55 55.20 2ka7 s ASP 39 Cb -0.13 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2ka7 s ASP 39 CO -0.03 -0.12 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.01 2ka7 s LEU 40 N -1.39 1.97 0.00 -1.34 1.43 -1.26 -4.15 118.68 113.94 2ka7 s LEU 40 Ca 0.44 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 2ka7 s LEU 40 Cb -0.31 -0.47 0.22 0.00 0.03 0.00 0.00 46.19 45.65 2ka7 s LEU 40 CO 0.40 0.10 1.30 -0.81 0.23 0.00 0.00 176.35 177.57 2ka7 n PRO 41 N 2.94 -1.24 -2.49 1.29 -0.04 -1.20 -5.00 135.00 129.26 2ka7 n PRO 41 Ca -0.14 -2.05 -0.37 0.00 -0.04 0.00 0.00 63.50 60.90 2ka7 n PRO 41 Cb 0.56 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 -5.83 4.13 0.00 0.54 2.12 -1.26 -4.95 118.70 113.45 2ka7 s GLU 42 Ca 0.74 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.64 2ka7 s GLU 42 Cb -0.02 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2ka7 s GLU 42 CO 0.52 -0.19 0.22 1.55 -0.54 0.00 0.00 175.26 176.82 2ka7 n VAL 43 N -0.06 0.00 -1.84 3.70 3.14 -1.26 -2.15 118.33 119.85 2ka7 n VAL 43 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2ka7 n VAL 43 Cb 0.49 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 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 0.25 0.33 3.72 7.55 0.00 -1.11 -3.74 105.19 112.19 2ka7 n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ka7 n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka7 s ARG 45 N 0.00 4.55 0.50 1.61 3.52 -0.92 -4.77 118.95 123.44 2ka7 s ARG 45 Ca 0.00 1.64 -0.18 0.00 -0.13 0.00 0.00 55.73 57.06 2ka7 s ARG 45 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2ka7 s ARG 45 CO 0.00 -0.03 1.00 -1.21 -0.81 0.00 0.00 175.30 174.25 2ka7 s GLU 46 N 0.39 3.88 0.27 5.12 2.02 -1.26 -0.63 118.70 128.49 2ka7 s GLU 46 Ca 0.52 1.12 -0.01 0.00 0.02 0.00 0.00 54.97 56.62 2ka7 s GLU 46 Cb -0.27 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 2ka7 s GLU 46 CO 0.31 -0.33 0.30 0.14 0.02 0.00 0.00 175.26 175.70 2ka7 s VAL 47 N -2.35 0.00 0.42 2.63 -7.23 -0.26 -4.92 120.40 108.68 2ka7 s VAL 47 Ca 0.62 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 2ka7 s VAL 47 Cb -0.12 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2ka7 s VAL 47 CO 0.25 0.00 0.23 -0.54 -0.31 0.00 0.00 175.10 174.73 2ka7 s LYS 48 N -3.72 2.29 0.00 4.82 1.02 -1.26 -3.23 119.74 119.66 2ka7 s LYS 48 Ca 0.35 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.56 2ka7 s LYS 48 Cb 0.03 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2ka7 s LYS 48 CO 0.17 -0.14 0.26 0.36 -0.92 0.00 0.00 175.35 175.08 2ka7 n LYS 49 N -1.32 0.44 -2.70 1.68 -0.00 -1.26 -3.06 118.16 111.94 2ka7 n LYS 49 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2ka7 n LYS 49 Cb 0.64 -1.18 0.10 0.00 -0.00 0.00 0.00 35.03 34.59 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka7 n GLY 50 N 0.21 -0.08 3.28 2.58 0.00 -1.05 -4.50 105.19 105.63 2ka7 n GLY 50 Ca 0.00 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 0.18 3.05 0.00 1.61 2.02 -1.17 -4.81 118.70 119.58 2ka7 s GLU 51 Ca 0.21 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2ka7 s GLU 51 Cb 0.29 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2ka7 s GLU 51 CO -0.10 0.23 0.77 1.55 0.02 0.00 0.00 175.26 177.74 2ka7 n VAL 52 N 3.39 0.66 0.27 2.63 3.14 -1.26 -0.53 118.33 126.64 2ka7 n VAL 52 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2ka7 n VAL 52 Cb 0.53 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 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 0.43 0.00 -2.84 1.55 0.24 -1.25 -2.08 118.33 114.39 2ka7 n VAL 53 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2ka7 n VAL 53 Cb 0.39 -0.35 0.03 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.31 2.11 -0.82 2.33 0.00 -1.26 -3.22 120.51 119.35 2ka7 n ALA 54 Ca 0.00 -2.70 -0.33 0.00 0.00 0.00 0.00 53.44 50.41 2ka7 n ALA 54 Cb 0.01 -0.97 0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 0.01 -1.18 -3.83 0.00 2.88 -0.88 -3.87 113.62 106.74 2ka7 n SER 55 Ca 0.12 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2ka7 n SER 55 Cb 0.76 -1.30 -0.15 0.00 -0.75 0.00 0.00 64.21 62.77 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 -2.41 -0.01 -0.22 2.46 1.01 -1.03 -0.36 121.20 120.64 2ka7 s ILE 56 Ca 0.61 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.35 2ka7 s ILE 56 Cb -0.23 -0.05 0.06 0.00 0.01 0.00 0.00 42.46 42.24 2ka7 s ILE 56 CO 0.63 0.04 -0.04 -1.61 0.00 0.00 0.00 174.94 173.97 2ka7 s GLU 57 N 0.49 1.43 0.00 2.79 2.02 -0.94 -0.59 118.70 123.90 2ka7 s GLU 57 Ca -0.04 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2ka7 s GLU 57 Cb -0.06 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.76 2ka7 s GLU 57 CO -0.01 -0.57 0.00 -1.13 0.02 0.00 0.00 175.26 173.56 2ka7 n SER 58 N 4.77 0.00 -0.39 -0.19 3.41 -0.10 -2.47 113.62 118.65 2ka7 n SER 58 Ca -0.12 -0.42 0.31 0.00 -0.26 0.00 0.00 58.87 58.39 2ka7 n SER 58 Cb 0.45 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.02 2ka7 n SER 58 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2ka7 h VAL 59 N -0.02 0.33 0.00 -3.33 -1.51 -1.57 -3.37 116.25 106.79 2ka7 h VAL 59 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2ka7 h VAL 59 Cb 0.00 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 2ka7 h VAL 59 CO 0.00 0.04 0.00 1.17 -1.23 0.00 0.00 177.57 177.55 2ka7 n LYS 60 N -4.54 0.00 -3.43 5.19 4.81 -1.26 -5.12 118.16 113.80 2ka7 n LYS 60 Ca 0.31 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.37 2ka7 n LYS 60 Cb 1.20 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 36.19 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka7 s ALA 61 N 0.00 3.64 -0.19 3.14 0.00 -1.26 -5.08 121.76 122.02 2ka7 s ALA 61 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2ka7 s ALA 61 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 2ka7 s ALA 61 CO 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 175.76 176.11 2ka7 s ALA 62 N -0.81 2.90 -0.40 0.00 0.00 -1.26 -0.92 121.76 121.26 2ka7 s ALA 62 Ca 0.25 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2ka7 s ALA 62 Cb -0.17 -1.65 0.13 0.00 0.00 0.00 0.00 23.12 21.43 2ka7 s ALA 62 CO 0.14 -0.13 0.20 0.00 0.00 0.00 0.00 175.76 175.97 2ka7 s ALA 63 N 0.97 2.02 -0.29 0.00 0.00 0.24 -4.98 121.76 119.72 2ka7 s ALA 63 Ca 0.00 -2.37 -0.29 0.00 0.00 0.00 0.00 51.96 49.30 2ka7 s ALA 63 Cb -0.15 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 2ka7 s ALA 63 CO 0.01 -1.97 2.27 -0.25 0.00 0.00 0.00 175.76 175.82 2ka7 n ASP 64 N 3.87 2.92 -4.47 0.00 8.00 -1.26 -2.47 116.55 123.13 2ka7 n ASP 64 Ca 0.06 0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 2ka7 n ASP 64 Cb 0.36 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.91 2ka7 n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka7 s VAL 65 N 8.99 4.43 -0.48 2.53 1.01 -1.25 -4.98 120.40 130.65 2ka7 s VAL 65 Ca 1.02 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 2ka7 s VAL 65 Cb -0.37 -4.80 0.03 0.00 0.00 0.00 0.00 36.38 31.24 2ka7 s VAL 65 CO 0.35 -1.57 1.04 -0.31 0.00 0.00 0.00 175.10 174.61 2ka7 s TYR 66 N 3.62 2.85 0.51 5.22 1.51 -1.26 -3.77 117.35 126.03 2ka7 s TYR 66 Ca 0.31 0.53 -0.18 0.00 -1.01 0.00 0.00 57.07 56.73 2ka7 s TYR 66 Cb -0.08 -4.23 -0.14 0.00 -0.11 0.00 0.00 41.96 37.40 2ka7 s TYR 66 CO -0.02 -1.22 0.01 0.00 -1.11 0.00 0.00 175.55 173.22 2ka7 n ALA 67 N 7.57 -2.67 0.09 3.71 0.00 0.31 -4.61 120.51 124.91 2ka7 n ALA 67 Ca 0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 2ka7 n ALA 67 Cb 0.49 -1.50 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 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 0.05 0.32 -3.03 0.00 0.13 -1.85 -2.77 132.00 124.84 2ka7 h PRO 68 Ca -0.42 -0.54 -0.15 0.00 -0.87 0.00 0.00 66.00 64.01 2ka7 h PRO 68 Cb 1.44 0.20 -0.25 0.00 0.13 0.00 0.00 31.00 32.52 2ka7 h PRO 68 CO 0.43 1.22 -0.38 -0.51 -0.23 0.00 0.00 178.00 178.53 2ka7 s LEU 69 N -7.16 0.87 0.10 1.56 1.43 -1.26 -4.70 118.68 109.51 2ka7 s LEU 69 Ca -0.08 0.58 -0.36 0.00 -1.03 0.00 0.00 54.13 53.25 2ka7 s LEU 69 Cb 0.06 0.99 -0.15 0.00 0.03 0.00 0.00 46.19 47.12 2ka7 s LEU 69 CO 0.88 -0.10 1.46 -1.20 0.23 0.00 0.00 176.35 177.62 2ka7 n SER 70 N 2.98 2.28 0.00 2.29 7.64 -1.26 -4.38 113.62 123.17 2ka7 n SER 70 Ca -0.13 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2ka7 n SER 70 Cb 0.58 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2ka7 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka7 n GLY 71 N 2.97 -1.59 2.86 0.23 0.00 -1.20 -3.61 105.19 104.86 2ka7 n GLY 71 Ca 0.18 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 2ka7 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka7 s LYS 72 N -1.40 0.05 0.44 1.61 1.02 -1.00 -1.11 119.74 119.36 2ka7 s LYS 72 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 55.97 56.10 2ka7 s LYS 72 Cb 0.00 -0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.00 2ka7 s LYS 72 CO 0.00 -0.20 1.42 -0.89 -0.92 0.00 0.00 175.35 174.77 2ka7 n ILE 73 N 4.43 2.71 -1.05 2.17 2.08 0.20 -0.70 119.36 129.21 2ka7 n ILE 73 Ca -0.22 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.59 2ka7 n ILE 73 Cb 0.51 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 2ka7 n ILE 73 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2ka7 n VAL 74 N -0.15 0.00 -3.84 1.39 0.24 0.05 -2.74 118.33 113.29 2ka7 n VAL 74 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 2ka7 n VAL 74 Cb 0.41 1.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.93 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 0.76 0.03 7.34 2.12 -0.85 -4.94 118.70 123.16 2ka7 s GLU 75 Ca 0.00 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 2ka7 s GLU 75 Cb 0.00 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 2ka7 s GLU 75 CO 0.00 -0.23 -0.03 0.14 -0.54 0.00 0.00 175.26 174.60 2ka7 s VAL 76 N -3.02 0.17 -1.02 3.70 -7.23 -1.26 -0.33 120.40 111.41 2ka7 s VAL 76 Ca -0.02 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2ka7 s VAL 76 Cb 0.01 -0.71 0.26 0.00 0.56 0.00 0.00 36.38 36.50 2ka7 s VAL 76 CO -0.06 -0.67 1.01 -3.20 -0.31 0.00 0.00 175.10 171.87 2ka7 n ASN 77 N 1.08 5.05 0.17 4.85 5.15 -0.34 -4.89 115.26 126.32 2ka7 n ASN 77 Ca -0.20 -3.12 0.10 0.00 -0.60 0.00 0.00 54.58 50.75 2ka7 n ASN 77 Cb 0.57 -1.22 0.51 0.00 -0.53 0.00 0.00 39.78 39.11 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 2.34 0.12 -0.35 1.20 1.02 -1.26 -1.16 120.64 122.56 2ka7 n GLU 78 Ca 0.24 0.62 0.15 0.00 -0.02 0.00 0.00 57.16 58.14 2ka7 n GLU 78 Cb 0.38 -2.01 0.35 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.68 0.00 3.49 1.57 -1.95 -2.80 116.57 117.56 2ka7 h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ka7 h LYS 79 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ka7 h LYS 79 CO 0.00 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.61 2ka7 n LEU 80 N -4.77 0.00 -0.01 2.94 7.99 -0.31 -0.61 117.00 122.23 2ka7 n LEU 80 Ca 0.24 0.16 -0.13 0.00 -0.01 0.00 0.00 56.01 56.27 2ka7 n LEU 80 Cb 0.62 -0.16 -0.10 0.00 -0.11 0.00 0.00 43.42 43.67 2ka7 n LEU 80 CO 0.21 -0.05 0.66 -0.78 -1.51 0.00 0.00 177.39 175.91 2ka7 h ASP 81 N 0.00 0.00 0.12 -1.43 1.82 -1.72 -3.23 116.42 111.98 2ka7 h ASP 81 Ca 0.00 -0.44 -0.37 0.00 -0.39 0.00 0.00 57.03 55.83 2ka7 h ASP 81 Cb 0.11 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2ka7 h ASP 81 CO 0.00 0.45 -2.08 0.35 -1.61 0.00 0.00 179.24 176.34 2ka7 n THR 82 N -4.87 1.71 -3.24 2.25 -2.24 0.01 -4.29 114.28 103.60 2ka7 n THR 82 Ca -0.08 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.76 2ka7 n THR 82 Cb 0.23 -1.62 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.40 3.00 -0.11 -0.78 1.02 0.22 -4.92 120.64 115.66 2ka7 n GLU 83 Ca -0.34 -4.71 -0.11 0.00 -0.02 0.00 0.00 57.16 51.98 2ka7 n GLU 83 Cb 1.04 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ka7 h PRO 84 N 4.03 0.56 0.00 3.49 0.13 -1.74 -3.15 132.00 135.32 2ka7 h PRO 84 Ca 0.20 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ka7 h PRO 84 Cb 0.61 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2ka7 h PRO 84 CO 0.90 0.71 0.00 -1.91 -0.23 0.00 0.00 178.00 177.46 2ka7 n GLU 85 N -4.54 0.05 0.12 0.86 2.13 -1.26 -2.65 120.64 115.35 2ka7 n GLU 85 Ca -0.03 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.07 2ka7 n GLU 85 Cb 0.28 -1.50 0.40 0.00 0.27 0.00 0.00 31.44 30.88 2ka7 n GLU 85 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ka7 n LEU 86 N -1.22 0.38 -0.35 4.31 4.77 -1.19 0.21 117.00 123.91 2ka7 n LEU 86 Ca 0.01 0.65 0.10 0.00 -0.03 0.00 0.00 56.01 56.74 2ka7 n LEU 86 Cb 0.02 -0.68 0.28 0.00 -2.33 0.00 0.00 43.42 40.71 2ka7 n LEU 86 CO 0.02 -0.78 1.22 0.40 -1.33 0.00 0.00 177.39 176.92 2ka7 h ILE 87 N 0.00 0.83 0.31 -0.08 1.08 -1.77 -0.57 117.51 117.31 2ka7 h ILE 87 Ca 0.00 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 2ka7 h ILE 87 Cb 0.13 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2ka7 h ILE 87 CO 0.00 0.16 -0.15 0.78 -0.69 0.00 0.00 178.15 178.25 2ka7 h ASN 88 N 0.88 -0.35 -0.29 1.72 2.35 -0.53 -3.20 115.58 116.16 2ka7 h ASN 88 Ca 0.52 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2ka7 h ASN 88 Cb 0.66 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2ka7 h ASN 88 CO -0.30 0.09 -0.05 0.50 -1.65 0.00 0.00 177.43 176.02 2ka7 h LYS 89 N -0.89 0.54 -0.98 0.81 3.11 -1.38 -3.39 116.57 114.39 2ka7 h LYS 89 Ca -0.04 -0.20 -0.32 0.00 -2.81 0.00 0.00 60.65 57.28 2ka7 h LYS 89 Cb 0.52 -0.04 -0.23 0.00 -1.00 0.00 0.00 32.23 31.49 2ka7 h LYS 89 CO 0.07 0.73 -0.68 -3.47 -2.81 0.00 0.00 179.45 173.29 2ka7 n ASP 90 N -4.52 -2.12 0.27 4.20 -0.08 -0.26 -5.02 116.55 109.02 2ka7 n ASP 90 Ca -0.03 -2.96 0.18 0.00 -1.51 0.00 0.00 54.79 50.47 2ka7 n ASP 90 Cb 0.30 1.00 0.93 0.00 2.34 0.00 0.00 41.12 45.69 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 4.49 0.00 -0.05 -0.67 0.13 -1.55 -0.22 132.00 134.13 2ka7 h PRO 91 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ka7 h PRO 91 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ka7 h PRO 91 CO 0.28 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.44 2ka7 n GLU 92 N -3.51 2.76 0.00 0.86 4.71 -1.26 -4.12 120.64 120.08 2ka7 n GLU 92 Ca -0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 57.16 55.62 2ka7 n GLU 92 Cb 0.25 -1.04 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ka7 n GLY 93 N -0.33 1.17 0.23 0.62 0.00 -0.57 -4.93 105.19 101.38 2ka7 n GLY 93 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2ka7 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 94 N 0.00 0.00 -1.01 1.61 4.39 -1.92 -3.26 114.58 114.40 2ka7 h GLU 94 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ka7 h GLU 94 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ka7 h GLU 94 CO 0.00 0.21 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 2ka7 n GLY 95 N -0.77 1.37 3.71 -3.84 0.00 -0.20 -4.88 105.19 100.58 2ka7 n GLY 95 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2ka7 n GLY 95 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ka7 s TRP 96 N -0.36 2.20 -0.03 1.61 1.48 -1.23 -4.62 118.94 117.99 2ka7 s TRP 96 Ca 0.00 1.43 -0.04 0.00 -1.06 0.00 0.00 56.10 56.43 2ka7 s TRP 96 Cb 0.00 -3.15 -0.01 0.00 -1.16 0.00 0.00 33.47 29.15 2ka7 s TRP 96 CO 0.00 -2.40 -0.07 1.28 -4.06 0.00 0.00 176.95 171.69 2ka7 n LEU 97 N -3.92 0.51 -4.23 -4.66 4.77 -0.26 -4.76 117.00 104.45 2ka7 n LEU 97 Ca 0.08 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2ka7 n LEU 97 Cb 0.54 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2ka7 n LEU 97 CO 0.54 -0.48 -0.13 0.72 -1.33 0.00 0.00 177.39 176.72 2ka7 s PHE 98 N -1.50 1.48 0.08 -1.77 -0.12 -1.22 -1.20 117.98 113.74 2ka7 s PHE 98 Ca -0.06 -1.52 0.04 0.00 -0.05 0.00 0.00 56.93 55.34 2ka7 s PHE 98 Cb 0.01 -0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 41.77 2ka7 s PHE 98 CO 0.09 -0.82 -0.12 0.15 -0.05 0.00 0.00 175.22 174.47 2ka7 s LYS 99 N -3.66 0.82 -0.08 1.99 1.02 0.56 -1.10 119.74 119.29 2ka7 s LYS 99 Ca 0.39 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.28 2ka7 s LYS 99 Cb 0.04 -0.68 0.03 0.00 -0.52 0.00 0.00 37.83 36.70 2ka7 s LYS 99 CO 0.22 0.13 0.20 0.00 -0.92 0.00 0.00 175.35 174.98 2ka7 s MET 100 N -2.21 0.19 0.13 1.68 0.23 -0.21 -0.77 119.30 118.34 2ka7 s MET 100 Ca 0.01 0.37 -0.33 0.00 -1.03 0.00 0.00 55.69 54.71 2ka7 s MET 100 Cb -0.07 -0.02 -0.12 0.00 -1.53 0.00 0.00 34.83 33.09 2ka7 s MET 100 CO 0.01 -0.10 1.73 -1.91 -2.03 0.00 0.00 175.02 172.72 2ka7 n GLU 101 N 3.61 2.49 -2.42 3.16 2.13 0.13 -0.97 120.64 128.77 2ka7 n GLU 101 Ca -0.19 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.10 2ka7 n GLU 101 Cb 0.55 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.50 2ka7 n GLU 101 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2ka7 s ILE 102 N 1.90 3.96 0.35 6.31 -4.36 -0.74 -2.36 121.20 126.26 2ka7 s ILE 102 Ca 0.81 0.95 0.35 0.00 -0.26 0.00 0.00 60.65 62.49 2ka7 s ILE 102 Cb -0.58 -4.35 0.37 0.00 1.25 0.00 0.00 42.46 39.15 2ka7 s ILE 102 CO 0.38 -0.90 2.11 0.28 0.24 0.00 0.00 174.94 177.05 2ka7 h SER 103 N 10.39 0.00 -1.65 4.36 0.02 -1.90 -3.42 113.55 121.35 2ka7 h SER 103 Ca -0.26 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.40 2ka7 h SER 103 Cb 1.09 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.36 2ka7 h SER 103 CO 1.11 0.05 -0.63 -1.81 -1.14 0.00 0.00 176.83 174.41 2ka7 s ASP 104 N -5.70 0.24 0.09 3.07 1.01 -1.26 -4.98 116.67 109.14 2ka7 s ASP 104 Ca -0.02 -1.52 0.26 0.00 0.71 0.00 0.00 52.55 51.98 2ka7 s ASP 104 Cb 0.11 0.97 1.00 0.00 1.01 0.00 0.00 42.92 46.02 2ka7 s ASP 104 CO 0.52 -0.21 1.80 -1.84 0.21 0.00 0.00 175.17 175.66 2ka7 n GLU 105 N 4.04 0.10 -0.20 8.23 0.28 -1.26 -3.25 120.64 128.58 2ka7 n GLU 105 Ca 0.13 0.14 -0.09 0.00 -0.16 0.00 0.00 57.16 57.18 2ka7 n GLU 105 Cb 0.49 -1.63 0.02 0.00 1.43 0.00 0.00 31.44 31.75 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 4.27 1.05 2.00 -1.84 0.00 -2.00 -3.07 103.07 103.49 2ka7 h GLY 106 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2ka7 h GLY 106 CO 0.00 0.69 -0.04 0.83 0.00 0.00 0.00 176.54 178.02 2ka7 h GLU 107 N 0.87 0.00 -0.76 4.80 4.39 -1.99 -2.87 114.58 119.01 2ka7 h GLU 107 Ca 0.17 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.07 2ka7 h GLU 107 Cb 0.49 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2ka7 h GLU 107 CO 0.02 0.04 0.54 -0.07 -1.16 0.00 0.00 179.01 178.38 2ka7 h LEU 108 N 0.00 0.08 -0.02 1.33 3.38 -1.70 -0.48 115.31 117.90 2ka7 h LEU 108 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ka7 h LEU 108 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2ka7 h LEU 108 CO 0.01 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 2ka7 n GLU 109 N -4.35 0.07 0.07 1.13 -0.58 -1.08 -2.30 120.64 113.60 2ka7 n GLU 109 Ca 0.15 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.87 2ka7 n GLU 109 Cb 0.78 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2ka7 n GLU 109 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ka7 h ASP 110 N 0.00 0.42 -4.30 1.62 3.58 -1.30 -3.47 116.42 112.97 2ka7 h ASP 110 Ca 0.00 -0.31 -0.51 0.00 0.42 0.00 0.00 57.03 56.63 2ka7 h ASP 110 Cb 0.55 -0.13 0.10 0.00 1.72 0.00 0.00 39.33 41.58 2ka7 h ASP 110 CO 0.00 1.08 0.35 -0.76 -2.88 0.00 0.00 179.24 177.03 2ka7 s LEU 111 N -7.73 3.16 0.08 2.28 2.01 -0.97 -4.96 118.68 112.55 2ka7 s LEU 111 Ca -0.05 1.74 -0.30 0.00 0.01 0.00 0.00 54.13 55.53 2ka7 s LEU 111 Cb 0.10 -4.51 -0.06 0.00 0.01 0.00 0.00 46.19 41.73 2ka7 s LEU 111 CO 0.84 -1.64 1.18 -0.76 1.01 0.00 0.00 176.35 176.99 2ka7 s LEU 112 N -5.50 4.39 0.00 1.79 2.01 -1.21 -4.80 118.68 115.36 2ka7 s LEU 112 Ca 0.60 2.02 0.00 0.00 0.01 0.00 0.00 54.13 56.77 2ka7 s LEU 112 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.46 2ka7 s LEU 112 CO 0.52 -0.43 0.00 0.47 1.01 0.00 0.00 176.35 177.92 2ka7 n ASP 113 N 3.69 -0.80 -0.03 2.29 8.00 -1.26 -0.91 116.55 127.54 2ka7 n ASP 113 Ca 0.08 -0.38 -0.17 0.00 0.71 0.00 0.00 54.79 55.03 2ka7 n ASP 113 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2ka7 n ASP 113 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ka7 h GLU 114 N 0.00 0.79 -0.02 -1.24 4.81 -1.96 0.18 114.58 117.14 2ka7 h GLU 114 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.57 2ka7 h GLU 114 Cb 0.00 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2ka7 h GLU 114 CO 0.00 1.24 -0.13 0.37 -0.73 0.00 0.00 179.01 179.76 2ka7 h GLN 115 N 0.55 0.12 -0.86 1.92 4.15 -2.00 -2.96 115.11 116.04 2ka7 h GLN 115 Ca -0.04 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.29 2ka7 h GLN 115 Cb 1.37 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.04 2ka7 h GLN 115 CO 0.15 0.78 0.57 0.00 -1.93 0.00 0.00 178.83 178.40 2ka7 h ALA 116 N 0.35 1.41 0.04 3.38 0.00 -1.91 -1.05 119.26 121.47 2ka7 h ALA 116 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ka7 h ALA 116 Cb 0.81 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2ka7 h ALA 116 CO 0.03 0.53 -0.29 -0.92 0.00 0.00 0.00 179.25 178.60 2ka7 h TYR 117 N 1.13 -0.78 -0.97 0.00 3.20 -0.71 -0.66 116.97 118.19 2ka7 h TYR 117 Ca 0.32 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.29 2ka7 h TYR 117 Cb -0.08 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 2ka7 h TYR 117 CO -0.00 -0.38 0.62 0.37 -1.64 0.00 0.00 178.16 177.13 2ka7 h GLN 118 N -0.46 1.05 -0.31 1.82 4.15 -1.16 0.24 115.11 120.45 2ka7 h GLN 118 Ca 0.05 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 2ka7 h GLN 118 Cb 0.52 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2ka7 h GLN 118 CO -0.22 0.69 -0.20 1.49 -1.93 0.00 0.00 178.83 178.67 2ka7 h GLU 119 N 1.08 0.57 -0.17 1.69 4.22 -0.85 -2.28 114.58 118.85 2ka7 h GLU 119 Ca 0.43 -0.20 -0.20 0.00 0.08 0.00 0.00 59.36 59.47 2ka7 h GLU 119 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2ka7 h GLU 119 CO -0.18 0.74 -0.70 0.35 -2.18 0.00 0.00 179.01 177.04 2ka7 h PHE 120 N 0.51 0.92 0.00 0.92 3.57 -0.13 -3.30 116.94 119.42 2ka7 h PHE 120 Ca 0.08 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2ka7 h PHE 120 Cb 0.63 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2ka7 h PHE 120 CO 0.02 1.19 0.00 0.00 -2.23 0.00 0.00 178.31 177.29 2ka7 h ALA 122 N 2.41 0.36 -0.10 0.00 0.00 -1.57 -3.41 119.26 116.95 2ka7 h ALA 122 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 2ka7 h ALA 122 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ka7 h ALA 122 CO 0.00 1.11 0.00 0.00 0.00 0.00 0.00 179.25 180.36 2ka7 n GLN 123 N -3.77 2.03 0.00 0.00 10.64 0.48 -5.16 117.38 121.60 2ka7 n GLN 123 Ca -0.31 -1.51 0.02 0.00 -1.83 0.00 0.00 57.00 53.36 2ka7 n GLN 123 Cb 0.94 -1.46 0.12 0.00 -0.86 0.00 0.00 30.24 28.98 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32