#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 3.56 -2.78 0.00 5.66 -1.26 -4.30 114.28 115.16 1ba9 n THR 2 Ca 0.00 -2.06 -0.06 0.00 -3.05 0.00 0.00 64.05 58.88 1ba9 n THR 2 Cb 0.00 -2.36 0.01 0.00 -1.55 0.00 0.00 70.33 66.43 1ba9 n THR 2 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ba9 n LYS 3 N 3.47 0.58 -4.25 1.09 4.76 -1.24 -4.73 118.16 117.83 1ba9 n LYS 3 Ca 0.63 -2.02 -0.19 0.00 -2.87 0.00 0.00 58.31 53.85 1ba9 n LYS 3 Cb 0.34 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 31.94 1ba9 n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba9 s ALA 4 N 0.80 1.57 -0.01 7.82 0.00 -0.77 -0.50 121.76 130.66 1ba9 s ALA 4 Ca 0.31 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 1ba9 s ALA 4 Cb 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1ba9 s ALA 4 CO -0.09 0.17 0.28 0.54 0.00 0.00 0.00 175.76 176.66 1ba9 s VAL 5 N -1.86 0.06 -0.16 0.00 0.11 0.39 -0.37 120.40 118.58 1ba9 s VAL 5 Ca 0.08 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1ba9 s VAL 5 Cb -0.07 -0.59 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1ba9 s VAL 5 CO 0.04 -0.28 0.03 0.00 -3.33 0.00 0.00 175.10 171.56 1ba9 s ALA 6 N -1.35 0.86 -0.72 1.54 0.00 -0.03 -0.84 121.76 121.22 1ba9 s ALA 6 Ca -0.14 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 1ba9 s ALA 6 Cb -0.06 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.07 1ba9 s ALA 6 CO 0.04 -0.97 1.16 0.14 0.00 0.00 0.00 175.76 176.12 1ba9 s VAL 7 N 1.92 3.98 0.47 0.00 -7.23 -1.26 -0.81 120.40 117.47 1ba9 s VAL 7 Ca 0.01 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.99 1ba9 s VAL 7 Cb -0.16 -4.83 -0.07 0.00 0.56 0.00 0.00 36.38 31.88 1ba9 s VAL 7 CO -0.07 -1.70 1.31 -0.76 -0.31 0.00 0.00 175.10 173.57 1ba9 s LEU 8 N 5.02 4.05 -0.05 1.32 1.02 0.83 -4.48 118.68 126.38 1ba9 s LEU 8 Ca 0.30 2.65 -0.07 0.00 0.02 0.00 0.00 54.13 57.03 1ba9 s LEU 8 Cb -0.11 -4.09 0.01 0.00 0.02 0.00 0.00 46.19 42.02 1ba9 s LEU 8 CO 0.12 -1.13 0.18 -0.75 0.02 0.00 0.00 176.35 174.79 1ba9 s LYS 9 N -2.57 0.31 0.00 1.70 2.47 -0.01 -1.18 119.74 120.46 1ba9 s LYS 9 Ca 0.63 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 1ba9 s LYS 9 Cb -0.37 0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.14 1ba9 s LYS 9 CO 0.47 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.33 1ba9 n GLY 10 N 2.47 5.14 0.26 5.54 0.00 -0.73 -0.62 105.19 117.25 1ba9 n GLY 10 Ca -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 1ba9 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 11 N 0.00 0.69 -3.44 1.61 3.58 -1.90 -3.45 116.42 113.52 1ba9 h ASP 11 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ba9 h ASP 11 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1ba9 h ASP 11 CO 0.00 0.49 0.00 0.61 -2.88 0.00 0.00 179.24 177.46 1ba9 n GLY 12 N -1.28 1.83 0.26 -0.78 0.00 -1.26 -4.98 105.19 98.98 1ba9 n GLY 12 Ca 0.06 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N -0.75 1.02 -1.55 1.61 -0.04 -1.26 -4.71 135.00 129.31 1ba9 n PRO 13 Ca 0.00 -0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.07 1ba9 n PRO 13 Cb 0.00 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ba9 n VAL 14 N -0.24 -0.02 -4.19 0.52 0.31 -1.26 -4.49 118.33 108.95 1ba9 n VAL 14 Ca 0.00 -0.72 -0.25 0.00 -0.01 0.00 0.00 64.34 63.36 1ba9 n VAL 14 Cb 0.13 -2.67 -0.07 0.00 -0.91 0.00 0.00 33.84 30.33 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 8.02 2.53 -0.21 5.55 -2.07 -0.47 -1.77 119.66 131.22 1ba9 s GLN 15 Ca 1.00 -1.13 -0.05 0.00 -1.82 0.00 0.00 55.36 53.37 1ba9 s GLN 15 Cb -0.25 -2.39 0.11 0.00 -1.09 0.00 0.00 33.01 29.39 1ba9 s GLN 15 CO 0.29 0.43 0.38 0.20 -1.32 0.00 0.00 175.29 175.27 1ba9 s GLY 16 N -3.24 -0.35 -1.03 2.60 0.00 -0.33 -0.02 107.32 104.96 1ba9 s GLY 16 Ca 0.29 1.12 -0.18 0.00 0.00 0.00 0.00 44.72 45.95 1ba9 s GLY 16 CO 0.20 2.48 1.29 -0.42 0.00 0.00 0.00 173.10 176.65 1ba9 s ILE 17 N 2.55 4.61 0.44 0.90 1.01 0.14 -0.12 121.20 130.74 1ba9 s ILE 17 Ca 0.06 -1.68 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 1ba9 s ILE 17 Cb -0.14 -4.88 -0.09 0.00 0.01 0.00 0.00 42.46 37.36 1ba9 s ILE 17 CO -0.14 -1.64 1.03 -0.63 0.00 0.00 0.00 174.94 173.57 1ba9 s ILE 18 N 2.95 3.82 -0.01 2.92 -1.09 0.01 -2.56 121.20 127.24 1ba9 s ILE 18 Ca 0.38 1.27 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1ba9 s ILE 18 Cb -0.03 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1ba9 s ILE 18 CO -0.06 -0.12 -0.00 0.20 -1.23 0.00 0.00 174.94 173.72 1ba9 s ASN 19 N -1.79 0.19 -0.11 3.58 0.01 0.41 -0.85 114.94 116.37 1ba9 s ASN 19 Ca 0.62 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.78 1ba9 s ASN 19 Cb -0.18 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.42 1ba9 s ASN 19 CO 0.23 -0.04 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.25 1ba9 s PHE 20 N 0.41 2.12 0.07 2.20 0.08 0.50 -0.64 117.98 122.71 1ba9 s PHE 20 Ca -0.04 -0.99 0.10 0.00 0.12 0.00 0.00 56.93 56.12 1ba9 s PHE 20 Cb -0.06 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1ba9 s PHE 20 CO -0.01 -0.48 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.16 1ba9 s GLU 21 N 0.86 1.66 0.07 0.44 2.02 -0.67 -1.85 118.70 121.24 1ba9 s GLU 21 Ca -0.09 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1ba9 s GLU 21 Cb -0.15 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1ba9 s GLU 21 CO -0.00 0.49 0.00 0.94 0.02 0.00 0.00 175.26 176.70 1ba9 n GLN 22 N 1.55 0.00 0.00 1.61 7.27 -1.26 -1.05 117.38 125.50 1ba9 n GLN 22 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 1ba9 n GLN 22 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -2.42 0.00 -2.28 3.69 0.00 -1.26 -4.84 118.16 111.04 1ba9 n LYS 23 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.92 1ba9 n LYS 23 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 1ba9 n LYS 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ba9 s GLU 24 N 0.00 4.18 0.23 1.64 2.12 -1.26 -4.58 118.70 121.04 1ba9 s GLU 24 Ca 0.00 1.90 -0.07 0.00 0.36 0.00 0.00 54.97 57.16 1ba9 s GLU 24 Cb 0.00 -2.81 0.30 0.00 0.26 0.00 0.00 34.13 31.88 1ba9 s GLU 24 CO 0.00 -0.23 1.83 0.66 -0.54 0.00 0.00 175.26 176.98 1ba9 h SER 25 N 2.92 0.72 0.00 -1.70 4.64 -1.98 -3.24 113.55 114.91 1ba9 h SER 25 Ca -0.48 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1ba9 h SER 25 Cb 1.23 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 1ba9 h SER 25 CO 0.64 0.46 -0.50 0.59 -0.87 0.00 0.00 176.83 177.14 1ba9 n ASN 26 N -4.69 0.49 -4.79 4.97 3.02 -1.26 -4.26 115.26 108.74 1ba9 n ASN 26 Ca 0.11 -2.19 -0.25 0.00 -0.03 0.00 0.00 54.58 52.21 1ba9 n ASN 26 Cb 0.18 -0.25 0.09 0.00 -0.61 0.00 0.00 39.78 39.19 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ba9 s GLY 27 N -1.44 1.72 0.27 7.41 0.00 -1.22 -5.02 107.32 109.05 1ba9 s GLY 27 Ca 0.10 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 1ba9 s GLY 27 CO -0.02 -0.66 1.56 2.56 0.00 0.00 0.00 173.10 176.53 1ba9 s PRO 28 N -5.27 4.16 -0.05 2.90 0.04 -1.26 -4.87 135.00 130.64 1ba9 s PRO 28 Ca 0.63 2.50 -0.14 0.00 0.04 0.00 0.00 61.00 64.02 1ba9 s PRO 28 Cb -0.09 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1ba9 s PRO 28 CO 0.45 -0.58 0.37 0.08 0.04 0.00 0.00 177.00 177.37 1ba9 s VAL 29 N 0.07 5.14 -0.27 -0.36 1.01 0.36 -4.61 120.40 121.73 1ba9 s VAL 29 Ca 0.63 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.26 1ba9 s VAL 29 Cb -0.46 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1ba9 s VAL 29 CO 0.46 0.52 0.13 -0.54 0.00 0.00 0.00 175.10 175.67 1ba9 s LYS 30 N -0.59 3.71 -0.40 2.72 1.02 -0.21 -0.96 119.74 125.03 1ba9 s LYS 30 Ca 0.22 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.61 1ba9 s LYS 30 Cb -0.15 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1ba9 s LYS 30 CO 0.10 -0.23 0.27 0.08 -0.92 0.00 0.00 175.35 174.66 1ba9 s VAL 31 N 1.67 5.11 0.30 3.17 1.01 0.63 -1.67 120.40 130.63 1ba9 s VAL 31 Ca 0.06 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1ba9 s VAL 31 Cb -0.16 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1ba9 s VAL 31 CO 0.07 -0.27 -0.05 0.26 0.00 0.00 0.00 175.10 175.12 1ba9 s TRP 32 N 1.66 2.52 0.15 5.22 0.51 0.19 -0.63 118.94 128.55 1ba9 s TRP 32 Ca 0.04 -0.35 -0.23 0.00 -2.12 0.00 0.00 56.10 53.44 1ba9 s TRP 32 Cb -0.19 -1.28 0.08 0.00 -0.81 0.00 0.00 33.47 31.27 1ba9 s TRP 32 CO 0.09 0.58 1.09 0.20 -0.51 0.00 0.00 176.95 178.40 1ba9 s GLY 33 N -3.65 0.09 -0.29 0.98 0.00 -0.70 -0.45 107.32 103.30 1ba9 s GLY 33 Ca 0.33 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1ba9 s GLY 33 CO 0.18 3.30 0.69 -0.45 0.00 0.00 0.00 173.10 176.82 1ba9 s SER 34 N -3.53 -1.35 0.68 1.64 0.15 -1.06 -0.68 113.70 109.55 1ba9 s SER 34 Ca 0.24 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 57.01 1ba9 s SER 34 Cb -0.02 1.90 0.01 0.00 -1.71 0.00 0.00 66.02 66.19 1ba9 s SER 34 CO 0.04 -0.25 1.11 -0.63 1.20 0.00 0.00 173.24 174.72 1ba9 s ILE 35 N 2.86 3.19 -0.28 6.45 1.09 -0.15 -0.68 121.20 133.68 1ba9 s ILE 35 Ca 0.14 0.53 -0.01 0.00 -1.10 0.00 0.00 60.65 60.21 1ba9 s ILE 35 Cb -0.09 -3.05 0.13 0.00 -1.06 0.00 0.00 42.46 38.39 1ba9 s ILE 35 CO -0.24 -0.36 0.29 -0.75 -0.10 0.00 0.00 174.94 173.78 1ba9 s LYS 36 N -4.18 0.31 0.00 2.79 2.36 0.98 -3.38 119.74 118.62 1ba9 s LYS 36 Ca 0.67 -0.05 0.00 0.00 -2.55 0.00 0.00 55.97 54.04 1ba9 s LYS 36 Cb -0.21 -0.70 0.00 0.00 -1.05 0.00 0.00 37.83 35.88 1ba9 s LYS 36 CO 0.43 -0.96 0.00 0.41 1.55 0.00 0.00 175.35 176.78 1ba9 n GLY 37 N 5.32 0.13 0.00 5.54 0.00 -0.67 -1.37 105.19 114.13 1ba9 n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.62 0.99 7.99 -1.01 -4.55 117.00 115.80 1ba9 n LEU 38 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 1ba9 n LEU 38 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 1ba9 n LEU 38 CO 0.00 -0.76 -0.30 0.28 -1.51 0.00 0.00 177.39 175.10 1ba9 s THR 39 N -0.72 2.23 0.96 -5.08 -1.32 -1.26 -4.30 115.64 106.15 1ba9 s THR 39 Ca 0.00 -2.01 -0.13 0.00 -1.21 0.00 0.00 61.69 58.34 1ba9 s THR 39 Cb 0.00 -2.87 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 1ba9 s THR 39 CO 0.00 -0.09 0.22 -1.84 -2.21 0.00 0.00 174.62 170.70 1ba9 n GLU 40 N -0.96 -0.28 0.00 7.08 -0.00 -1.20 -4.66 120.64 120.61 1ba9 n GLU 40 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 1ba9 n GLU 40 Cb 0.65 -1.73 0.00 0.00 -0.00 0.00 0.00 31.44 30.36 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ba9 n GLY 41 N 1.80 0.62 3.81 -1.84 0.00 -0.72 -4.81 105.19 104.04 1ba9 n GLY 41 Ca 0.05 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 1ba9 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 42 N 0.00 4.34 -0.11 0.99 1.02 -1.26 -0.69 118.68 122.97 1ba9 s LEU 42 Ca 0.00 1.51 -0.02 0.00 0.02 0.00 0.00 54.13 55.64 1ba9 s LEU 42 Cb 0.00 -3.68 0.04 0.00 0.02 0.00 0.00 46.19 42.57 1ba9 s LEU 42 CO 0.00 0.01 -0.00 -1.00 0.02 0.00 0.00 176.35 175.38 1ba9 s HIS 43 N -1.54 0.91 0.39 0.29 3.76 0.62 -2.31 115.29 117.40 1ba9 s HIS 43 Ca 0.45 -0.46 -0.26 0.00 -0.15 0.00 0.00 55.06 54.63 1ba9 s HIS 43 Cb -0.17 -0.94 -0.11 0.00 1.11 0.00 0.00 32.58 32.47 1ba9 s HIS 43 CO 0.22 -0.44 1.26 0.41 -0.85 0.00 0.00 174.74 175.34 1ba9 n GLY 44 N 5.08 0.52 2.73 -2.22 0.00 -0.52 -0.83 105.19 109.95 1ba9 n GLY 44 Ca -0.08 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1ba9 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ba9 s PHE 45 N -1.16 0.40 0.07 1.61 2.19 -0.09 -0.47 117.98 120.53 1ba9 s PHE 45 Ca 0.59 0.02 -0.09 0.00 0.33 0.00 0.00 56.93 57.78 1ba9 s PHE 45 Cb -0.53 -0.66 -0.00 0.00 -1.31 0.00 0.00 43.02 40.51 1ba9 s PHE 45 CO 0.60 -0.27 0.18 -1.01 1.83 0.00 0.00 175.22 176.55 1ba9 s HIS 46 N 2.05 0.13 -0.54 10.12 3.76 -0.85 -3.37 115.29 126.60 1ba9 s HIS 46 Ca 0.05 -0.49 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 1ba9 s HIS 46 Cb -0.12 -0.06 0.05 0.00 1.11 0.00 0.00 32.58 33.56 1ba9 s HIS 46 CO -0.04 -0.49 0.81 0.08 -0.85 0.00 0.00 174.74 174.25 1ba9 s VAL 47 N -3.38 4.58 0.82 -0.90 1.01 -0.23 -1.80 120.40 120.50 1ba9 s VAL 47 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1ba9 s VAL 47 Cb 0.03 -4.45 0.08 0.00 0.00 0.00 0.00 36.38 32.03 1ba9 s VAL 47 CO -0.08 -1.02 1.10 -1.00 0.00 0.00 0.00 175.10 174.10 1ba9 s HIS 48 N 3.42 2.78 1.22 5.22 3.76 0.57 -2.39 115.29 129.86 1ba9 s HIS 48 Ca 0.23 1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 56.09 1ba9 s HIS 48 Cb -0.16 -3.16 0.30 0.00 1.11 0.00 0.00 32.58 30.67 1ba9 s HIS 48 CO 0.15 -1.86 1.02 -1.21 -0.85 0.00 0.00 174.74 171.99 1ba9 s GLU 49 N -5.18 -1.32 0.00 1.40 0.41 -0.19 -3.96 118.70 109.87 1ba9 s GLU 49 Ca 0.61 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.69 1ba9 s GLU 49 Cb -0.14 -1.53 0.00 0.00 -1.78 0.00 0.00 34.13 30.67 1ba9 s GLU 49 CO 0.54 -3.90 0.00 0.39 -0.49 0.00 0.00 175.26 171.80 1ba9 n GLU 50 N -5.00 0.00 0.00 1.61 -0.58 -1.26 -4.09 120.64 111.32 1ba9 n GLU 50 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1ba9 n GLU 50 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ba9 n GLU 51 N -2.28 0.00 -2.49 3.49 0.28 -1.26 -2.04 120.64 116.34 1ba9 n GLU 51 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1ba9 n GLU 51 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ba9 n ASP 52 N 0.00 4.83 0.00 -1.84 9.92 -1.26 -3.74 116.55 124.46 1ba9 n ASP 52 Ca 0.00 -2.91 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1ba9 n ASP 52 Cb 0.00 -1.74 0.00 0.00 -0.64 0.00 0.00 41.12 38.74 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ba9 n ASN 53 N 8.10 0.00 -1.94 -2.24 5.15 -1.26 -5.01 115.26 118.06 1ba9 n ASN 53 Ca 0.49 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.41 1ba9 n ASN 53 Cb 0.45 0.03 -0.08 0.00 -0.53 0.00 0.00 39.78 39.65 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ba9 n THR 54 N -1.46 2.01 -0.32 -0.44 5.66 -1.24 -4.69 114.28 113.78 1ba9 n THR 54 Ca 0.00 -0.87 0.24 0.00 -3.05 0.00 0.00 64.05 60.37 1ba9 n THR 54 Cb 0.00 -1.70 0.46 0.00 -1.55 0.00 0.00 70.33 67.54 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 h ALA 55 N 3.01 1.81 -1.19 1.79 0.00 -1.95 -0.70 119.26 122.03 1ba9 h ALA 55 Ca 0.09 0.24 -0.40 0.00 0.00 0.00 0.00 54.91 54.85 1ba9 h ALA 55 Cb 1.01 0.30 -0.40 0.00 0.00 0.00 0.00 17.79 18.70 1ba9 h ALA 55 CO 0.19 -0.68 -1.15 0.41 0.00 0.00 0.00 179.25 178.01 1ba9 n GLY 56 N -1.32 2.22 2.62 0.00 0.00 -1.26 -4.94 105.19 102.52 1ba9 n GLY 56 Ca 0.31 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 h THR 58 N -0.63 0.00 0.08 0.00 2.02 -1.86 -3.37 112.91 109.15 1ba9 h THR 58 Ca -0.46 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1ba9 h THR 58 Cb 1.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1ba9 h THR 58 CO 0.52 0.00 -0.04 0.77 0.37 0.00 0.00 175.52 177.14 1ba9 h SER 59 N -0.47 -0.10 -5.98 4.18 4.64 -1.91 -3.49 113.55 110.42 1ba9 h SER 59 Ca -0.04 -0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 60.93 1ba9 h SER 59 Cb 0.27 0.02 0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1ba9 h SER 59 CO 0.06 0.43 -0.63 0.00 -0.87 0.00 0.00 176.83 175.81 1ba9 n ALA 60 N -2.75 -2.59 -0.73 5.18 0.00 -1.26 -4.93 120.51 113.42 1ba9 n ALA 60 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1ba9 n ALA 60 Cb 0.08 -2.48 0.15 0.00 0.00 0.00 0.00 19.45 17.20 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N -1.67 -1.46 0.39 0.00 0.00 -1.26 -5.00 105.19 96.19 1ba9 n GLY 61 Ca -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1ba9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 62 N -2.74 -0.87 -1.67 1.61 -0.04 -1.26 -4.07 135.00 125.96 1ba9 n PRO 62 Ca 0.08 -0.20 -0.48 0.00 -0.04 0.00 0.00 63.50 62.87 1ba9 n PRO 62 Cb 0.53 -0.17 -0.05 0.00 -0.04 0.00 0.00 33.50 33.78 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -2.57 2.22 -2.03 0.54 8.25 -1.26 -1.02 115.22 119.35 1ba9 n HIS 63 Ca 0.02 0.22 -0.43 0.00 -0.26 0.00 0.00 57.72 57.27 1ba9 n HIS 63 Cb 0.06 -2.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 2.01 1.87 0.02 4.41 2.19 -1.01 -4.71 117.98 122.77 1ba9 s PHE 64 Ca 0.85 0.60 -0.26 0.00 0.33 0.00 0.00 56.93 58.45 1ba9 s PHE 64 Cb -0.72 -4.13 -0.05 0.00 -1.31 0.00 0.00 43.02 36.81 1ba9 s PHE 64 CO 0.44 -2.92 0.81 1.21 1.83 0.00 0.00 175.22 176.59 1ba9 s ASN 65 N 5.73 7.22 -0.03 6.13 3.84 -1.26 -1.27 114.94 135.29 1ba9 s ASN 65 Ca 0.78 1.47 -0.00 0.00 0.21 0.00 0.00 52.86 55.31 1ba9 s ASN 65 Cb -0.22 -2.49 -0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1ba9 s ASN 65 CO 0.33 -0.06 -0.01 1.55 -2.79 0.00 0.00 177.10 176.13 1ba9 h PRO 66 N 6.04 0.00 -0.04 0.43 0.13 -1.90 -3.42 132.00 133.24 1ba9 h PRO 66 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ba9 h PRO 66 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ba9 h PRO 66 CO 0.72 0.00 0.00 1.47 -0.23 0.00 0.00 178.00 179.96 1ba9 n LEU 67 N -2.90 2.44 -1.63 1.56 -0.00 -1.26 -5.05 117.00 110.17 1ba9 n LEU 67 Ca -0.00 -2.78 -0.01 0.00 -0.00 0.00 0.00 56.01 53.22 1ba9 n LEU 67 Cb 0.01 -0.33 -0.01 0.00 -0.00 0.00 0.00 43.42 43.10 1ba9 n LEU 67 CO 0.01 0.66 -0.08 -0.24 -0.00 0.00 0.00 177.39 177.73 1ba9 n SER 68 N -1.04 -1.83 -3.38 1.45 2.88 -1.26 -5.14 113.62 105.29 1ba9 n SER 68 Ca 0.12 0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.69 1ba9 n SER 68 Cb 0.56 -1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 62.48 1ba9 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 s ARG 69 N -0.92 1.86 0.78 -1.46 1.70 -1.26 -5.17 118.95 114.48 1ba9 s ARG 69 Ca -0.03 -1.64 -0.10 0.00 -0.47 0.00 0.00 55.73 53.48 1ba9 s ARG 69 Cb 0.00 0.46 0.08 0.00 -0.57 0.00 0.00 34.95 34.92 1ba9 s ARG 69 CO 0.09 -0.78 1.13 0.15 -1.08 0.00 0.00 175.30 174.82 1ba9 s LYS 70 N -3.19 1.93 0.62 3.89 1.02 -1.26 -4.85 119.74 117.90 1ba9 s LYS 70 Ca 0.28 -0.08 -0.15 0.00 0.02 0.00 0.00 55.97 56.04 1ba9 s LYS 70 Cb -0.01 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 1ba9 s LYS 70 CO 0.17 -1.54 1.06 -1.58 -0.92 0.00 0.00 175.35 172.54 1ba9 s HIS 71 N -3.48 3.00 0.00 3.18 5.65 0.31 -3.16 115.29 120.79 1ba9 s HIS 71 Ca 0.62 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.43 1ba9 s HIS 71 Cb -0.10 -2.99 0.00 0.00 -1.18 0.00 0.00 32.58 28.31 1ba9 s HIS 71 CO 0.48 -1.15 0.00 0.41 -0.65 0.00 0.00 174.74 173.82 1ba9 n GLY 72 N -1.15 1.26 3.50 1.59 0.00 -0.96 -4.18 105.19 105.26 1ba9 n GLY 72 Ca 0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1ba9 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 73 N 0.00 3.26 0.00 -0.02 0.00 -1.26 -4.42 105.19 102.74 1ba9 n GLY 73 Ca 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.89 1ba9 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 74 N -1.00 0.05 -0.02 1.61 -0.04 -1.16 -1.38 135.00 133.06 1ba9 n PRO 74 Ca -0.08 0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1ba9 n PRO 74 Cb 0.64 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1ba9 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ba9 n LYS 75 N -1.39 0.57 -2.83 0.54 4.76 -1.26 -5.02 118.16 113.53 1ba9 n LYS 75 Ca 0.02 -1.14 -0.23 0.00 -2.87 0.00 0.00 58.31 54.10 1ba9 n LYS 75 Cb 0.07 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ba9 s ASP 76 N -0.75 5.62 0.07 4.39 1.01 -0.48 -5.02 116.67 121.52 1ba9 s ASP 76 Ca 0.11 0.21 -0.06 0.00 0.71 0.00 0.00 52.55 53.52 1ba9 s ASP 76 Cb 0.07 -1.32 -0.29 0.00 1.01 0.00 0.00 42.92 42.39 1ba9 s ASP 76 CO 0.11 -0.88 1.12 -0.33 0.21 0.00 0.00 175.17 175.40 1ba9 h GLU 77 N 0.25 0.31 -4.46 8.23 3.07 -1.95 -3.42 114.58 116.61 1ba9 h GLU 77 Ca -0.45 -0.52 -0.72 0.00 -0.50 0.00 0.00 59.36 57.17 1ba9 h GLU 77 Cb 1.27 0.19 -0.23 0.00 -0.84 0.00 0.00 28.75 29.14 1ba9 h GLU 77 CO 0.56 1.25 -0.42 -1.21 -1.40 0.00 0.00 179.01 177.78 1ba9 s GLU 78 N -2.65 2.90 -0.12 2.33 2.02 -1.26 -5.03 118.70 116.90 1ba9 s GLU 78 Ca -0.05 -1.17 -0.06 0.00 0.02 0.00 0.00 54.97 53.71 1ba9 s GLU 78 Cb 0.07 -3.95 0.05 0.00 0.10 0.00 0.00 34.13 30.39 1ba9 s GLU 78 CO 0.89 -0.84 0.28 -0.98 0.02 0.00 0.00 175.26 174.63 1ba9 s ARG 79 N 1.62 0.24 1.19 1.61 1.70 -1.19 -2.26 118.95 121.86 1ba9 s ARG 79 Ca 0.04 0.56 -0.19 0.00 -0.47 0.00 0.00 55.73 55.67 1ba9 s ARG 79 Cb -0.21 -0.09 0.28 0.00 -0.57 0.00 0.00 34.95 34.36 1ba9 s ARG 79 CO 0.08 -0.15 1.13 -1.01 -1.08 0.00 0.00 175.30 174.26 1ba9 s HIS 80 N 1.21 0.55 0.24 5.89 3.76 -1.24 -4.88 115.29 120.82 1ba9 s HIS 80 Ca -0.09 0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 55.23 1ba9 s HIS 80 Cb -0.09 -3.51 0.24 0.00 1.11 0.00 0.00 32.58 30.33 1ba9 s HIS 80 CO -0.09 -3.80 1.91 -0.24 -0.85 0.00 0.00 174.74 171.68 1ba9 h VAL 81 N -2.52 1.26 -1.06 -0.90 3.04 -1.49 -3.01 116.25 111.57 1ba9 h VAL 81 Ca -0.45 -0.49 -0.61 0.00 -1.01 0.00 0.00 66.70 64.14 1ba9 h VAL 81 Cb 1.29 -0.16 -0.38 0.00 -2.01 0.00 0.00 31.29 30.03 1ba9 h VAL 81 CO 0.34 0.25 -0.26 0.61 -1.01 0.00 0.00 177.57 177.50 1ba9 n GLY 82 N -1.33 6.14 3.34 3.17 0.00 -1.25 -4.82 105.19 110.45 1ba9 n GLY 82 Ca 0.11 -2.59 -0.46 0.00 0.00 0.00 0.00 46.02 43.08 1ba9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ba9 s ASP 83 N -2.98 7.12 -0.49 1.61 1.11 -1.14 -1.07 116.67 120.84 1ba9 s ASP 83 Ca 0.54 -3.25 -0.01 0.00 0.18 0.00 0.00 52.55 50.01 1ba9 s ASP 83 Cb 0.43 -2.22 0.36 0.00 1.07 0.00 0.00 42.92 42.56 1ba9 s ASP 83 CO -0.06 -0.42 2.00 0.18 1.18 0.00 0.00 175.17 178.05 1ba9 n LEU 84 N 3.33 7.00 0.00 1.23 7.99 -1.22 -2.96 117.00 132.37 1ba9 n LEU 84 Ca 0.21 -3.75 0.00 0.00 -0.01 0.00 0.00 56.01 52.46 1ba9 n LEU 84 Cb 0.42 -0.99 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 1ba9 n LEU 84 CO 0.43 1.31 0.00 0.61 -1.51 0.00 0.00 177.39 178.23 1ba9 n GLY 85 N -0.37 2.00 3.42 -0.72 0.00 -1.26 -4.62 105.19 103.65 1ba9 n GLY 85 Ca 0.47 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.88 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -4.00 0.00 0.34 1.61 2.20 -1.26 -0.92 114.94 112.91 1ba9 s ASN 86 Ca 0.00 -1.02 0.04 0.00 -0.94 0.00 0.00 52.86 50.94 1ba9 s ASN 86 Cb 0.00 0.49 -0.06 0.00 -2.00 0.00 0.00 41.25 39.68 1ba9 s ASN 86 CO 0.00 -1.00 0.06 0.68 -2.94 0.00 0.00 177.10 173.90 1ba9 s VAL 87 N -4.04 1.20 -0.22 3.54 -7.23 -0.01 -4.87 120.40 108.78 1ba9 s VAL 87 Ca 0.25 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 1ba9 s VAL 87 Cb 0.02 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1ba9 s VAL 87 CO 0.07 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.90 1ba9 s THR 88 N -3.24 3.10 0.27 5.32 2.01 -1.26 -0.28 115.64 121.57 1ba9 s THR 88 Ca 0.35 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 1ba9 s THR 88 Cb 0.08 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 1ba9 s THR 88 CO 0.15 0.42 0.94 0.00 -0.69 0.00 0.00 174.62 175.45 1ba9 s ALA 89 N 1.43 3.29 0.93 7.40 0.00 0.14 -4.25 121.76 130.70 1ba9 s ALA 89 Ca 0.05 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1ba9 s ALA 89 Cb -0.14 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 19.93 1ba9 s ALA 89 CO -0.05 0.19 1.22 0.34 0.00 0.00 0.00 175.76 177.46 1ba9 s ASP 90 N -1.35 3.44 0.61 0.00 -1.08 0.54 -1.75 116.67 117.08 1ba9 s ASP 90 Ca 0.45 0.61 0.39 0.00 -0.52 0.00 0.00 52.55 53.48 1ba9 s ASP 90 Cb -0.23 -0.93 2.10 0.00 -1.46 0.00 0.00 42.92 42.40 1ba9 s ASP 90 CO 0.29 -2.56 2.18 0.07 0.52 0.00 0.00 175.17 175.67 1ba9 h LYS 91 N -1.51 0.00 0.00 4.34 -0.00 -1.96 0.11 116.57 117.55 1ba9 h LYS 91 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1ba9 h LYS 91 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 1ba9 h LYS 91 CO 0.52 0.00 -0.46 0.22 -0.00 0.00 0.00 179.45 179.73 1ba9 h ASP 92 N 0.00 0.00 -0.10 7.07 3.58 -1.95 -3.45 116.42 121.58 1ba9 h ASP 92 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1ba9 h ASP 92 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1ba9 h ASP 92 CO 0.00 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1ba9 n GLY 93 N 1.31 0.59 3.40 -0.78 0.00 0.39 -4.81 105.19 105.29 1ba9 n GLY 93 Ca 0.04 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.10 3.77 -0.41 1.61 1.01 -1.26 -1.67 120.40 121.35 1ba9 s VAL 94 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1ba9 s VAL 94 Cb 0.00 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.76 1ba9 s VAL 94 CO 0.00 0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.76 1ba9 s ALA 95 N 1.16 3.24 0.33 5.51 0.00 -1.22 -0.34 121.76 130.46 1ba9 s ALA 95 Ca 0.03 -2.21 -0.28 0.00 0.00 0.00 0.00 51.96 49.49 1ba9 s ALA 95 Cb -0.14 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.30 1ba9 s ALA 95 CO 0.01 -1.67 1.16 0.16 0.00 0.00 0.00 175.76 175.42 1ba9 s ASP 96 N 2.06 6.91 0.09 0.00 -4.77 -1.26 -0.98 116.67 118.72 1ba9 s ASP 96 Ca 0.03 2.36 0.10 0.00 -3.30 0.00 0.00 52.55 51.74 1ba9 s ASP 96 Cb -0.23 -2.62 -0.03 0.00 -1.09 0.00 0.00 42.92 38.94 1ba9 s ASP 96 CO 0.01 -0.41 -0.25 -0.69 0.70 0.00 0.00 175.17 174.53 1ba9 s VAL 97 N -1.27 2.04 -0.44 2.11 1.01 0.14 -4.60 120.40 119.39 1ba9 s VAL 97 Ca 0.50 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1ba9 s VAL 97 Cb -0.32 -1.79 0.20 0.00 0.00 0.00 0.00 36.38 34.46 1ba9 s VAL 97 CO 0.42 0.13 0.86 -0.94 0.00 0.00 0.00 175.10 175.58 1ba9 s SER 98 N -1.73 -1.00 0.32 3.32 1.04 -1.22 -1.73 113.70 112.70 1ba9 s SER 98 Ca 0.11 -1.09 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1ba9 s SER 98 Cb -0.10 1.31 -0.05 0.00 0.10 0.00 0.00 66.02 67.28 1ba9 s SER 98 CO 0.04 -0.05 0.09 -0.51 0.98 0.00 0.00 173.24 173.79 1ba9 s ILE 99 N 1.06 0.85 -0.03 -1.02 2.07 0.20 -5.01 121.20 119.32 1ba9 s ILE 99 Ca 0.26 -2.00 -0.03 0.00 -1.41 0.00 0.00 60.65 57.47 1ba9 s ILE 99 Cb 0.04 -2.65 0.01 0.00 0.13 0.00 0.00 42.46 39.99 1ba9 s ILE 99 CO -0.08 0.00 0.08 -0.70 -1.91 0.00 0.00 174.94 172.34 1ba9 s GLU 100 N -3.89 0.11 0.09 3.50 2.12 -1.26 -0.27 118.70 119.10 1ba9 s GLU 100 Ca 0.34 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1ba9 s GLU 100 Cb 0.07 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1ba9 s GLU 100 CO 0.15 -0.02 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.30 1ba9 s ASP 101 N -0.03 0.87 0.00 -1.70 1.11 -0.14 -4.98 116.67 111.80 1ba9 s ASP 101 Ca -0.01 -1.03 0.03 0.00 0.18 0.00 0.00 52.55 51.72 1ba9 s ASP 101 Cb -0.01 0.15 0.01 0.00 1.07 0.00 0.00 42.92 44.14 1ba9 s ASP 101 CO 0.00 -0.54 0.49 -1.20 1.18 0.00 0.00 175.17 175.10 1ba9 n SER 102 N -0.01 1.00 -0.05 0.27 7.64 -1.26 -0.49 113.62 120.72 1ba9 n SER 102 Ca -0.12 -1.00 -0.04 0.00 1.01 0.00 0.00 58.87 58.71 1ba9 n SER 102 Cb 0.61 0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 64.03 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N -0.11 1.00 -1.42 0.44 0.31 -1.26 -4.93 118.33 112.36 1ba9 n VAL 103 Ca 0.02 0.28 -0.34 0.00 -0.01 0.00 0.00 64.34 64.29 1ba9 n VAL 103 Cb 0.07 -2.11 0.09 0.00 -0.91 0.00 0.00 33.84 30.99 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ba9 s ILE 104 N -2.05 2.45 0.05 2.52 -5.25 -1.26 -4.83 121.20 112.83 1ba9 s ILE 104 Ca -0.14 0.21 -0.26 0.00 -0.99 0.00 0.00 60.65 59.46 1ba9 s ILE 104 Cb 0.02 -2.73 0.09 0.00 2.95 0.00 0.00 42.46 42.79 1ba9 s ILE 104 CO 0.21 -0.13 0.75 -0.44 -1.79 0.00 0.00 174.94 173.55 1ba9 s SER 105 N -2.19 -0.48 -0.69 4.36 0.01 -1.26 -4.70 113.70 108.75 1ba9 s SER 105 Ca 0.72 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 58.05 1ba9 s SER 105 Cb -0.27 0.49 0.42 0.00 0.21 0.00 0.00 66.02 66.86 1ba9 s SER 105 CO 0.46 -0.76 1.94 0.00 0.41 0.00 0.00 173.24 175.29 1ba9 n LEU 106 N -0.15 7.36 -3.62 2.44 -0.00 -1.26 -0.38 117.00 121.38 1ba9 n LEU 106 Ca -0.13 -4.53 0.01 0.00 -0.00 0.00 0.00 56.01 51.36 1ba9 n LEU 106 Cb 0.63 -0.94 -0.01 0.00 -0.00 0.00 0.00 43.42 43.10 1ba9 n LEU 106 CO 0.13 1.63 1.05 -0.94 -0.00 0.00 0.00 177.39 179.26 1ba9 s SER 107 N -1.78 -0.06 0.84 1.45 1.04 -1.26 -4.64 113.70 109.28 1ba9 s SER 107 Ca 0.59 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1ba9 s SER 107 Cb 0.48 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1ba9 s SER 107 CO -0.14 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1ba9 n GLY 108 N -0.47 0.74 0.00 7.32 0.00 -1.26 -2.86 105.19 108.66 1ba9 n GLY 108 Ca -0.08 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N -2.43 0.26 0.03 1.61 2.03 -1.26 -3.78 116.55 113.02 1ba9 n ASP 109 Ca 0.00 0.13 0.12 0.00 0.52 0.00 0.00 54.79 55.55 1ba9 n ASP 109 Cb 0.00 -0.12 0.11 0.00 -0.72 0.00 0.00 41.12 40.38 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ba9 n HIS 110 N -1.51 0.29 0.00 -0.67 8.25 -1.23 -4.98 115.22 115.37 1ba9 n HIS 110 Ca 0.06 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1ba9 n HIS 110 Cb 0.34 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ba9 n SER 111 N -1.90 0.00 0.20 0.41 7.64 -0.97 -4.29 113.62 114.71 1ba9 n SER 111 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.05 1ba9 n SER 111 Cb 0.41 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.17 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ba9 h ILE 112 N 0.00 0.00 -1.26 0.44 -2.65 -1.05 -3.44 117.51 109.56 1ba9 h ILE 112 Ca 0.00 -0.40 -0.68 0.00 1.03 0.00 0.00 64.86 64.81 1ba9 h ILE 112 Cb 0.00 1.28 -0.01 0.00 -2.05 0.00 0.00 36.82 36.04 1ba9 h ILE 112 CO 0.00 0.00 1.29 -0.38 0.03 0.00 0.00 178.15 179.09 1ba9 n ILE 113 N -2.64 0.25 0.00 0.16 2.08 -1.26 -0.45 119.36 117.50 1ba9 n ILE 113 Ca 0.02 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.13 1ba9 n ILE 113 Cb 0.29 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 1ba9 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ba9 n GLY 114 N 5.89 1.25 3.75 7.39 0.00 0.36 -5.00 105.19 118.84 1ba9 n GLY 114 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -0.04 2.15 -0.38 1.61 1.81 0.41 -4.42 118.95 120.09 1ba9 s ARG 115 Ca 0.00 1.36 -0.22 0.00 -1.72 0.00 0.00 55.73 55.16 1ba9 s ARG 115 Cb 0.00 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.64 1ba9 s ARG 115 CO 0.00 -1.75 0.70 0.99 -0.68 0.00 0.00 175.30 174.57 1ba9 s THR 116 N -2.61 4.80 0.06 0.02 2.01 -0.86 -1.22 115.64 117.84 1ba9 s THR 116 Ca 0.65 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 63.18 1ba9 s THR 116 Cb -0.20 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1ba9 s THR 116 CO 0.51 -0.44 0.34 -0.22 -0.69 0.00 0.00 174.62 174.12 1ba9 s LEU 117 N 2.93 4.35 -0.03 4.42 0.20 0.65 -0.31 118.68 130.88 1ba9 s LEU 117 Ca 0.27 0.66 -0.04 0.00 0.69 0.00 0.00 54.13 55.71 1ba9 s LEU 117 Cb -0.14 -2.89 0.01 0.00 -0.43 0.00 0.00 46.19 42.74 1ba9 s LEU 117 CO 0.17 0.19 0.11 -0.69 -0.29 0.00 0.00 176.35 175.84 1ba9 s VAL 118 N -1.39 0.02 0.05 1.68 1.01 -0.75 -0.81 120.40 120.22 1ba9 s VAL 118 Ca 0.32 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1ba9 s VAL 118 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1ba9 s VAL 118 CO 0.18 -0.11 -0.18 0.54 0.00 0.00 0.00 175.10 175.53 1ba9 s VAL 119 N -0.34 2.79 0.34 2.92 0.11 -0.10 -2.01 120.40 124.12 1ba9 s VAL 119 Ca -0.04 -1.23 0.09 0.00 -2.93 0.00 0.00 61.98 57.87 1ba9 s VAL 119 Cb -0.03 -2.19 -0.06 0.00 -1.53 0.00 0.00 36.38 32.57 1ba9 s VAL 119 CO 0.00 0.31 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.03 1ba9 s HIS 120 N -0.95 2.47 -0.06 1.54 3.76 0.38 -0.95 115.29 121.47 1ba9 s HIS 120 Ca 0.15 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.43 1ba9 s HIS 120 Cb -0.10 -1.43 -0.11 0.00 1.11 0.00 0.00 32.58 32.04 1ba9 s HIS 120 CO 0.06 0.54 0.63 1.49 -0.85 0.00 0.00 174.74 176.60 1ba9 h GLU 121 N 1.93 -0.25 -7.11 1.40 4.81 -1.21 -3.33 114.58 110.81 1ba9 h GLU 121 Ca -0.42 0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.36 1ba9 h GLU 121 Cb 1.25 0.06 0.08 0.00 0.63 0.00 0.00 28.75 30.77 1ba9 h GLU 121 CO 0.69 0.05 0.11 0.15 -0.73 0.00 0.00 179.01 179.28 1ba9 s LYS 122 N -2.96 1.84 0.60 1.92 -0.14 0.43 -4.53 119.74 116.89 1ba9 s LYS 122 Ca -0.09 -0.93 -0.19 0.00 -1.36 0.00 0.00 55.97 53.40 1ba9 s LYS 122 Cb 0.00 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1ba9 s LYS 122 CO 0.33 -1.34 1.24 0.00 -0.76 0.00 0.00 175.35 174.82 1ba9 s ALA 123 N -3.12 2.54 0.04 5.17 0.00 -0.98 -1.44 121.76 123.97 1ba9 s ALA 123 Ca 0.64 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.39 1ba9 s ALA 123 Cb -0.07 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 1ba9 s ALA 123 CO 0.44 -1.27 1.57 0.34 0.00 0.00 0.00 175.76 176.83 1ba9 s ASP 124 N -1.48 6.69 0.00 0.00 -1.08 -1.26 -3.85 116.67 115.68 1ba9 s ASP 124 Ca 0.78 2.35 0.06 0.00 -0.52 0.00 0.00 52.55 55.22 1ba9 s ASP 124 Cb -0.33 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 38.93 1ba9 s ASP 124 CO 0.36 -0.83 0.79 0.47 0.52 0.00 0.00 175.17 176.48 1ba9 n ASP 125 N 5.55 0.00 -2.98 -0.34 8.00 0.41 -4.82 116.55 122.36 1ba9 n ASP 125 Ca 0.15 -0.69 -0.20 0.00 0.71 0.00 0.00 54.79 54.76 1ba9 n ASP 125 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 126 N -0.72 -1.78 0.00 0.64 7.99 -1.26 -1.84 117.00 120.03 1ba9 n LEU 126 Ca 0.05 -0.19 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 1ba9 n LEU 126 Cb 0.02 -2.41 0.00 0.00 -0.11 0.00 0.00 43.42 40.92 1ba9 n LEU 126 CO 0.03 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.61 1ba9 n GLY 127 N -1.17 0.00 1.85 -0.72 0.00 -1.26 -4.37 105.19 99.52 1ba9 n GLY 127 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba9 n LYS 128 N 0.36 4.63 0.05 1.61 4.76 -0.77 -3.91 118.16 124.89 1ba9 n LYS 128 Ca 0.00 -3.00 0.09 0.00 -2.87 0.00 0.00 58.31 52.53 1ba9 n LYS 128 Cb 0.28 -2.23 0.39 0.00 -1.84 0.00 0.00 35.03 31.63 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ba9 n GLY 129 N 0.53 -1.14 2.82 0.72 0.00 -1.26 -4.91 105.19 101.94 1ba9 n GLY 129 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N 0.08 -0.02 3.46 -0.02 0.00 -1.26 -5.00 105.19 102.45 1ba9 n GLY 130 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ba9 s ASN 131 N -3.28 -0.70 0.27 1.61 2.47 -1.26 -5.03 114.94 109.01 1ba9 s ASN 131 Ca 0.34 1.20 -0.08 0.00 0.42 0.00 0.00 52.86 54.74 1ba9 s ASN 131 Cb -0.15 1.11 0.45 0.00 -1.45 0.00 0.00 41.25 41.21 1ba9 s ASN 131 CO 0.47 -0.21 1.58 -0.33 -3.72 0.00 0.00 177.10 174.89 1ba9 h GLU 132 N 6.63 0.01 0.00 0.43 3.07 -1.95 0.23 114.58 123.00 1ba9 h GLU 132 Ca -0.32 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1ba9 h GLU 132 Cb 1.20 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ba9 h GLU 132 CO 0.21 0.01 0.00 0.94 -1.40 0.00 0.00 179.01 178.76 1ba9 n GLN 133 N -5.55 0.00 -0.37 2.33 0.00 -1.26 -0.03 117.38 112.50 1ba9 n GLN 133 Ca 0.15 0.55 0.03 0.00 -0.00 0.00 0.00 57.00 57.73 1ba9 n GLN 133 Cb 0.50 -1.31 0.09 0.00 0.00 0.00 0.00 30.24 29.52 1ba9 n GLN 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ba9 n SER 134 N -1.83 -0.49 0.00 1.69 3.41 -0.77 0.35 113.62 115.99 1ba9 n SER 134 Ca 0.00 1.71 0.12 0.00 -0.26 0.00 0.00 58.87 60.44 1ba9 n SER 134 Cb 0.00 -0.46 0.71 0.00 -0.26 0.00 0.00 64.21 64.20 1ba9 n SER 134 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ba9 n THR 135 N -5.54 0.00 -0.05 6.66 -1.04 0.74 0.46 114.28 115.52 1ba9 n THR 135 Ca 0.13 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.08 1ba9 n THR 135 Cb 0.45 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -0.93 1.10 0.00 -2.82 4.81 0.95 -0.53 118.16 120.74 1ba9 n LYS 136 Ca 0.18 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1ba9 n LYS 136 Cb 0.08 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -2.62 0.00 -0.58 3.15 -2.24 0.15 -4.61 114.28 107.53 1ba9 n THR 137 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ba9 n THR 137 Cb 0.71 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 2.30 0.70 2.59 3.38 0.00 0.17 -4.27 105.19 110.07 1ba9 n GLY 138 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1ba9 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ba9 n ASN 139 N 0.15 -5.46 0.00 1.61 4.13 -1.26 -0.44 115.26 113.99 1ba9 n ASN 139 Ca 0.00 0.49 0.01 0.00 1.68 0.00 0.00 54.58 56.76 1ba9 n ASN 139 Cb 0.00 -4.75 0.06 0.00 -1.54 0.00 0.00 39.78 33.55 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ba9 n ALA 140 N 1.31 2.25 -0.10 5.41 0.00 -1.25 -4.79 120.51 123.34 1ba9 n ALA 140 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ba9 n ALA 140 Cb 0.67 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.26 -0.15 0.54 0.00 0.00 -1.26 -0.43 105.19 104.15 1ba9 n GLY 141 Ca 0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 1ba9 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ba9 n SER 142 N 0.98 -1.05 -4.32 1.61 2.88 -1.26 -4.76 113.62 107.69 1ba9 n SER 142 Ca 0.00 -0.65 -0.41 0.00 -1.33 0.00 0.00 58.87 56.48 1ba9 n SER 142 Cb 0.00 -0.15 -0.10 0.00 -0.75 0.00 0.00 64.21 63.21 1ba9 n SER 142 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 143 N -3.39 2.73 0.13 -1.46 3.00 -1.26 -3.39 118.95 115.31 1ba9 s ARG 143 Ca 0.11 -1.31 -0.15 0.00 0.00 0.00 0.00 55.73 54.38 1ba9 s ARG 143 Cb -0.01 -3.81 -0.01 0.00 0.00 0.00 0.00 34.95 31.11 1ba9 s ARG 143 CO 0.08 -0.87 1.62 -0.07 0.00 0.00 0.00 175.30 176.06 1ba9 h LEU 144 N 8.47 0.62 -7.31 2.53 -0.00 -1.34 -3.47 115.31 114.81 1ba9 h LEU 144 Ca -0.25 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 57.33 1ba9 h LEU 144 Cb 1.09 -0.16 -0.14 0.00 -0.00 0.00 0.00 40.66 41.45 1ba9 h LEU 144 CO 0.74 0.71 -0.03 0.00 -0.00 0.00 0.00 178.44 179.86 1ba9 s ALA 145 N -5.24 -1.10 0.04 1.53 0.00 -1.18 -3.97 121.76 111.85 1ba9 s ALA 145 Ca -0.13 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 1ba9 s ALA 145 Cb 0.10 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1ba9 s ALA 145 CO 0.77 -0.59 0.20 0.00 0.00 0.00 0.00 175.76 176.15 1ba9 s GLY 147 N -2.08 -0.37 -0.11 0.00 0.00 0.01 -0.83 107.32 103.94 1ba9 s GLY 147 Ca -0.05 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 45.67 1ba9 s GLY 147 CO -0.04 0.33 0.02 0.14 0.00 0.00 0.00 173.10 173.55 1ba9 s VAL 148 N -2.85 4.48 0.11 1.40 1.01 -1.26 -0.25 120.40 123.04 1ba9 s VAL 148 Ca 0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1ba9 s VAL 148 Cb -0.00 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1ba9 s VAL 148 CO -0.06 0.58 0.98 -0.63 0.00 0.00 0.00 175.10 175.97 1ba9 s ILE 149 N -0.61 4.44 0.35 2.22 1.01 -0.35 -4.35 121.20 123.91 1ba9 s ILE 149 Ca 0.10 2.02 0.05 0.00 0.00 0.00 0.00 60.65 62.82 1ba9 s ILE 149 Cb -0.12 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1ba9 s ILE 149 CO 0.02 0.31 0.36 -0.83 0.00 0.00 0.00 174.94 174.80 1ba9 s GLY 150 N 0.03 2.11 0.43 6.18 0.00 -0.02 -0.49 107.32 115.55 1ba9 s GLY 150 Ca 0.47 -1.91 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 1ba9 s GLY 150 CO 0.30 -1.31 1.22 -0.42 0.00 0.00 0.00 173.10 172.89 1ba9 s ILE 151 N -3.22 2.90 0.17 0.90 1.09 -1.26 -0.46 121.20 121.32 1ba9 s ILE 151 Ca 0.37 0.75 -0.09 0.00 -1.10 0.00 0.00 60.65 60.58 1ba9 s ILE 151 Cb 0.01 -3.41 -0.06 0.00 -1.06 0.00 0.00 42.46 37.93 1ba9 s ILE 151 CO 0.26 0.06 0.48 0.00 -0.10 0.00 0.00 174.94 175.64 1ba9 s ALA 152 N -1.39 3.66 -2.00 9.38 0.00 0.34 -4.59 121.76 127.16 1ba9 s ALA 152 Ca 0.60 -0.35 0.14 0.00 0.00 0.00 0.00 51.96 52.35 1ba9 s ALA 152 Cb -0.33 -2.33 0.85 0.00 0.00 0.00 0.00 23.12 21.31 1ba9 s ALA 152 CO 0.41 0.56 1.27 1.04 0.00 0.00 0.00 175.76 179.04